#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if9 s LYS 2 N 0.00 2.89 0.09 2.12 1.02 -1.26 -5.03 119.74 119.57 3if9 s LYS 2 Ca 0.00 -0.76 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 3if9 s LYS 2 Cb 0.00 -2.61 -0.16 0.00 -0.52 0.00 0.00 37.83 34.54 3if9 s LYS 2 CO 0.00 -0.34 1.29 0.00 -0.92 0.00 0.00 175.35 175.38 3if9 h ARG 3 N 0.42 0.77 -5.57 1.68 3.08 -1.94 -3.45 114.38 109.37 3if9 h ARG 3 Ca -0.44 -0.63 -0.48 0.00 0.07 0.00 0.00 59.98 58.49 3if9 h ARG 3 Cb 1.27 0.13 -0.24 0.00 0.08 0.00 0.00 29.97 31.21 3if9 h ARG 3 CO 0.53 1.24 -0.81 -1.58 -1.07 0.00 0.00 179.97 178.29 3if9 s HIS 4 N -3.72 1.41 0.05 3.04 2.46 -1.26 0.60 115.29 117.86 3if9 s HIS 4 Ca -0.11 -0.37 -0.00 0.00 0.47 0.00 0.00 55.06 55.05 3if9 s HIS 4 Cb 0.08 -0.83 -0.03 0.00 -0.13 0.00 0.00 32.58 31.67 3if9 s HIS 4 CO 0.90 0.06 -0.04 0.71 -2.47 0.00 0.00 174.74 173.91 3if9 s TYR 5 N -0.90 0.50 0.24 3.88 1.51 -0.61 -4.96 117.35 117.01 3if9 s TYR 5 Ca 0.03 -0.87 0.10 0.00 -1.01 0.00 0.00 57.07 55.32 3if9 s TYR 5 Cb -0.08 -0.35 0.23 0.00 -0.11 0.00 0.00 41.96 41.65 3if9 s TYR 5 CO 0.02 -0.28 1.54 0.93 -1.11 0.00 0.00 175.55 176.65 3if9 h GLU 6 N 3.62 0.00 -3.29 -0.62 5.08 -1.04 -3.01 114.58 115.33 3if9 h GLU 6 Ca -0.34 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 3if9 h GLU 6 Cb 1.17 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.20 3if9 h GLU 6 CO 0.57 0.70 -0.42 0.00 -1.00 0.00 0.00 179.01 178.86 3if9 s ALA 7 N -3.42 -0.52 -0.06 3.43 0.00 -1.02 -1.99 121.76 118.18 3if9 s ALA 7 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3if9 s ALA 7 Cb 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3if9 s ALA 7 CO 0.78 -0.19 -0.05 0.08 0.00 0.00 0.00 175.76 176.37 3if9 s VAL 8 N -0.91 0.68 -0.23 0.00 1.01 -0.13 -1.85 120.40 118.97 3if9 s VAL 8 Ca -0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3if9 s VAL 8 Cb -0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3if9 s VAL 8 CO 0.02 0.28 0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3if9 s VAL 9 N 1.23 4.57 -0.43 2.92 1.01 0.15 -0.05 120.40 129.80 3if9 s VAL 9 Ca -0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 3if9 s VAL 9 Cb -0.14 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.16 3if9 s VAL 9 CO -0.02 0.36 0.33 -0.63 0.00 0.00 0.00 175.10 175.15 3if9 s ILE 10 N 1.27 5.25 0.00 2.22 1.01 0.15 -1.21 121.20 129.88 3if9 s ILE 10 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3if9 s ILE 10 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3if9 s ILE 10 CO 0.04 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.19 3if9 n GLY 11 N 5.17 3.39 2.12 6.18 0.00 0.11 0.62 105.19 122.77 3if9 n GLY 11 Ca -0.11 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 3if9 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 12 N 0.74 6.27 0.00 -0.02 0.00 -1.26 -4.16 105.19 106.76 3if9 n GLY 12 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.43 3if9 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 13 N -0.75 -0.80 0.32 -0.02 0.00 -1.26 -1.05 105.19 101.63 3if9 n GLY 13 Ca 0.48 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 3if9 n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3if9 h ILE 14 N -0.50 1.24 0.62 -0.61 2.10 -1.94 -2.20 117.51 116.22 3if9 h ILE 14 Ca 0.00 -0.80 -0.03 0.00 1.08 0.00 0.00 64.86 65.11 3if9 h ILE 14 Cb 0.00 0.46 0.01 0.00 -1.09 0.00 0.00 36.82 36.20 3if9 h ILE 14 CO 0.00 0.32 -0.30 0.40 -1.08 0.00 0.00 178.15 177.49 3if9 h ILE 15 N 0.99 0.38 -0.54 2.19 1.08 -1.91 -1.10 117.51 118.60 3if9 h ILE 15 Ca 0.23 -0.09 0.10 0.00 -0.39 0.00 0.00 64.86 64.71 3if9 h ILE 15 Cb 0.24 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.32 3if9 h ILE 15 CO -0.01 0.01 0.11 1.23 -0.69 0.00 0.00 178.15 178.80 3if9 h GLY 16 N -0.88 0.67 0.60 5.37 0.00 -1.71 -2.10 103.07 105.01 3if9 h GLY 16 Ca -0.08 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.29 3if9 h GLY 16 CO 0.14 -0.09 0.27 1.76 0.00 0.00 0.00 176.54 178.62 3if9 h SER 17 N 0.24 0.35 -0.16 0.19 0.02 -1.25 -0.54 113.55 112.40 3if9 h SER 17 Ca 0.28 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3if9 h SER 17 Cb 0.39 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3if9 h SER 17 CO -0.36 0.23 0.10 0.00 -1.14 0.00 0.00 176.83 175.66 3if9 h ALA 18 N 1.34 0.21 -0.52 3.77 0.00 -0.82 -1.07 119.26 122.15 3if9 h ALA 18 Ca 0.27 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3if9 h ALA 18 Cb 0.23 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3if9 h ALA 18 CO -0.21 -0.28 0.20 0.82 0.00 0.00 0.00 179.25 179.78 3if9 h ILE 19 N 0.19 0.84 -0.42 0.00 2.04 -1.06 0.86 117.51 119.96 3if9 h ILE 19 Ca 0.06 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3if9 h ILE 19 Cb 0.03 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3if9 h ILE 19 CO -0.01 0.07 0.19 0.00 0.00 0.00 0.00 178.15 178.40 3if9 h ALA 20 N 1.34 0.54 0.03 1.87 0.00 -0.88 0.85 119.26 123.01 3if9 h ALA 20 Ca 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3if9 h ALA 20 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3if9 h ALA 20 CO -0.24 0.12 -0.10 -0.92 0.00 0.00 0.00 179.25 178.11 3if9 h TYR 21 N 0.53 -0.25 0.00 0.00 3.20 -0.75 -1.49 116.97 118.21 3if9 h TYR 21 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3if9 h TYR 21 Cb 0.14 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3if9 h TYR 21 CO -0.01 -0.15 -0.30 1.88 -1.64 0.00 0.00 178.16 177.94 3if9 h TYR 22 N -0.19 0.00 -0.01 -3.82 -1.99 -0.27 -0.01 116.97 110.68 3if9 h TYR 22 Ca 0.03 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.51 3if9 h TYR 22 Cb 0.22 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.97 3if9 h TYR 22 CO -0.15 0.30 -0.97 -0.07 -0.00 0.00 0.00 178.16 177.27 3if9 h LEU 23 N 0.00 0.87 -1.28 3.88 3.38 -0.75 -3.13 115.31 118.27 3if9 h LEU 23 Ca -0.00 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 3if9 h LEU 23 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3if9 h LEU 23 CO 0.04 1.49 -0.32 0.00 0.09 0.00 0.00 178.44 179.74 3if9 h ALA 24 N 0.39 1.21 -0.44 1.53 0.00 -0.77 -1.79 119.26 119.40 3if9 h ALA 24 Ca -0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3if9 h ALA 24 Cb 1.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3if9 h ALA 24 CO 0.19 0.40 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 3if9 h LYS 25 N 0.00 0.77 0.00 0.00 3.64 -1.04 -1.40 116.57 118.54 3if9 h LYS 25 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3if9 h LYS 25 Cb 0.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3if9 h LYS 25 CO 0.04 0.84 0.00 0.39 -2.27 0.00 0.00 179.45 178.45 3if9 n GLU 26 N -4.17 0.89 -2.14 1.90 -0.58 -0.72 -4.88 120.64 110.94 3if9 n GLU 26 Ca 0.02 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.56 3if9 n GLU 26 Cb 0.35 -1.10 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 3if9 n GLU 26 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3if9 n ASN 27 N -0.60 -5.36 -4.73 1.62 5.15 -0.53 -4.98 115.26 105.83 3if9 n ASN 27 Ca 0.04 0.17 -0.41 0.00 -0.60 0.00 0.00 54.58 53.77 3if9 n ASN 27 Cb 0.02 -4.57 -0.04 0.00 -0.53 0.00 0.00 39.78 34.67 3if9 n ASN 27 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3if9 s LYS 28 N -4.60 4.53 -0.57 1.20 -0.14 -0.91 -4.98 119.74 114.27 3if9 s LYS 28 Ca 0.00 1.71 -0.27 0.00 -1.36 0.00 0.00 55.97 56.05 3if9 s LYS 28 Cb 0.00 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 3if9 s LYS 28 CO 0.00 -0.05 1.85 1.21 -0.76 0.00 0.00 175.35 177.60 3if9 s ASN 29 N 0.40 5.36 0.06 2.83 3.04 -1.26 -4.39 114.94 120.97 3if9 s ASN 29 Ca 0.53 0.49 0.07 0.00 0.04 0.00 0.00 52.86 53.99 3if9 s ASN 29 Cb -0.29 -2.53 -0.03 0.00 -1.54 0.00 0.00 41.25 36.86 3if9 s ASN 29 CO 0.32 -2.28 -0.17 -0.89 -3.04 0.00 0.00 177.10 171.04 3if9 s THR 30 N 8.78 2.86 0.02 -5.21 2.01 -1.26 -0.40 115.64 122.45 3if9 s THR 30 Ca 0.69 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3if9 s THR 30 Cb -0.14 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 3if9 s THR 30 CO 0.23 0.29 -0.08 0.00 -0.69 0.00 0.00 174.62 174.37 3if9 s ALA 31 N -0.98 0.60 -0.06 7.40 0.00 -0.77 -1.50 121.76 126.45 3if9 s ALA 31 Ca 0.16 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.65 3if9 s ALA 31 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3if9 s ALA 31 CO 0.07 0.08 -0.20 -1.17 0.00 0.00 0.00 175.76 174.53 3if9 s LEU 32 N -0.80 1.96 -0.12 0.00 0.20 0.32 -0.68 118.68 119.56 3if9 s LEU 32 Ca -0.02 -0.43 -0.02 0.00 0.69 0.00 0.00 54.13 54.35 3if9 s LEU 32 Cb -0.06 -1.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 3if9 s LEU 32 CO 0.00 0.16 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.80 3if9 s PHE 33 N 0.12 2.96 -0.02 5.38 0.40 -0.35 -1.46 117.98 125.01 3if9 s PHE 33 Ca -0.08 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 3if9 s PHE 33 Cb -0.14 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.54 3if9 s PHE 33 CO 0.04 0.05 -0.04 -2.00 0.70 0.00 0.00 175.22 173.98 3if9 s GLU 34 N -0.02 0.50 0.07 0.44 2.56 -0.63 -0.72 118.70 120.90 3if9 s GLU 34 Ca -0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 54.97 54.58 3if9 s GLU 34 Cb -0.13 -0.53 -0.17 0.00 2.00 0.00 0.00 34.13 35.30 3if9 s GLU 34 CO 0.03 0.01 1.65 0.77 -0.56 0.00 0.00 175.26 177.16 3if9 h SER 35 N 6.57 -0.39 0.00 -1.70 0.02 -1.87 0.17 113.55 116.36 3if9 h SER 35 Ca -0.34 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3if9 h SER 35 Cb 1.17 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3if9 h SER 35 CO 0.49 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 3if9 n GLY 36 N -1.22 0.68 3.75 -3.77 0.00 -1.26 -3.01 105.19 100.37 3if9 n GLY 36 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 3if9 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3if9 s THR 37 N 3.17 3.80 0.24 2.61 -4.23 -1.26 -1.17 115.64 118.81 3if9 s THR 37 Ca 0.00 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 58.58 3if9 s THR 37 Cb 0.00 -3.13 -0.12 0.00 1.34 0.00 0.00 72.50 70.59 3if9 s THR 37 CO 0.00 -0.32 1.63 0.23 -0.54 0.00 0.00 174.62 175.62 3if9 n MET 38 N -1.10 2.62 -1.02 3.99 0.00 -1.26 -2.29 117.12 118.07 3if9 n MET 38 Ca -0.06 0.94 -0.01 0.00 0.00 0.00 0.00 57.70 58.57 3if9 n MET 38 Cb 0.59 -2.73 -0.00 0.00 0.00 0.00 0.00 33.22 31.07 3if9 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3if9 n GLY 39 N 2.97 0.29 0.00 3.03 0.00 -0.22 -4.89 105.19 106.37 3if9 n GLY 39 Ca 0.12 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3if9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 40 N -0.92 -1.03 0.00 -0.02 0.00 -0.97 -2.77 105.19 99.49 3if9 n GLY 40 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3if9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if9 n ARG 41 N -1.15 0.00 -0.09 1.61 5.12 -1.26 -4.81 116.66 116.07 3if9 n ARG 41 Ca 0.16 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.14 3if9 n ARG 41 Cb 0.16 0.00 0.40 0.00 -1.16 0.00 0.00 32.46 31.86 3if9 n ARG 41 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3if9 h THR 42 N 0.00 1.04 -0.95 0.55 2.02 -1.86 0.10 112.91 113.82 3if9 h THR 42 Ca 0.00 -0.21 0.20 0.00 0.77 0.00 0.00 66.41 67.17 3if9 h THR 42 Cb 0.00 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 66.69 3if9 h THR 42 CO 0.00 0.11 0.61 0.74 0.37 0.00 0.00 175.52 177.35 3if9 h THR 43 N 0.62 0.69 0.00 3.16 2.02 -1.94 -1.95 112.91 115.52 3if9 h THR 43 Ca 0.23 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 3if9 h THR 43 Cb 0.15 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3if9 h THR 43 CO -0.06 0.10 -0.63 0.28 0.37 0.00 0.00 175.52 175.57 3if9 h SER 44 N 0.56 0.00 1.28 4.18 0.02 -0.61 -3.22 113.55 115.76 3if9 h SER 44 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3if9 h SER 44 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3if9 h SER 44 CO -0.26 0.63 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 3if9 h ALA 45 N 1.37 1.00 -2.49 3.77 0.00 -1.27 -3.46 119.26 118.17 3if9 h ALA 45 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 3if9 h ALA 45 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3if9 h ALA 45 CO 0.08 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.74 3if9 s ALA 46 N -3.20 3.10 0.18 0.00 0.00 -1.13 -4.89 121.76 115.81 3if9 s ALA 46 Ca 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 3if9 s ALA 46 Cb 0.11 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 20.03 3if9 s ALA 46 CO 0.54 -0.17 1.49 0.00 0.00 0.00 0.00 175.76 177.62 3if9 h ALA 47 N 2.54 0.66 0.00 0.00 0.00 -1.91 -3.43 119.26 117.12 3if9 h ALA 47 Ca -0.48 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3if9 h ALA 47 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3if9 h ALA 47 CO 0.62 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.96 3if9 n GLY 48 N 0.22 0.74 3.71 0.00 0.00 -1.26 -4.72 105.19 103.88 3if9 n GLY 48 Ca -0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3if9 n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3if9 s MET 49 N -0.75 4.23 -1.16 1.61 -1.94 -1.26 -0.78 119.30 119.26 3if9 s MET 49 Ca 0.00 2.29 -0.05 0.00 -1.71 0.00 0.00 55.69 56.22 3if9 s MET 49 Cb 0.00 -3.28 0.25 0.00 2.01 0.00 0.00 34.83 33.81 3if9 s MET 49 CO 0.00 -0.60 1.78 1.28 -0.01 0.00 0.00 175.02 177.46 3if9 n LEU 50 N 4.37 6.90 -4.28 -0.03 4.77 0.47 -4.40 117.00 124.80 3if9 n LEU 50 Ca 0.14 -5.06 -0.44 0.00 -0.03 0.00 0.00 56.01 50.62 3if9 n LEU 50 Cb 0.40 -1.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 3if9 n LEU 50 CO 0.61 1.73 0.09 -0.94 -1.33 0.00 0.00 177.39 177.55 3if9 s SER 51 N -0.74 6.03 0.24 -1.43 1.04 -1.26 -4.23 113.70 113.35 3if9 s SER 51 Ca 0.38 -1.84 0.25 0.00 0.48 0.00 0.00 55.95 55.21 3if9 s SER 51 Cb 0.11 -2.14 0.59 0.00 0.10 0.00 0.00 66.02 64.67 3if9 s SER 51 CO 0.01 -0.80 1.62 0.00 0.98 0.00 0.00 173.24 175.05 3if9 h ALA 52 N 8.73 0.90 -0.76 5.32 0.00 -1.93 -3.36 119.26 128.15 3if9 h ALA 52 Ca -0.27 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 3if9 h ALA 52 Cb 1.09 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 3if9 h ALA 52 CO 0.98 0.00 0.69 0.72 0.00 0.00 0.00 179.25 181.63 3if9 n HIS 53 N -2.43 2.39 -3.88 0.00 8.25 -1.26 -4.86 115.22 113.43 3if9 n HIS 53 Ca 0.05 -2.40 -0.11 0.00 -0.26 0.00 0.00 57.72 54.99 3if9 n HIS 53 Cb 0.46 -1.25 -0.12 0.00 1.12 0.00 0.00 29.99 30.20 3if9 n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3if9 s ARG 54 N -2.89 0.20 -1.30 -0.41 0.52 -1.26 -3.03 118.95 110.77 3if9 s ARG 54 Ca 0.52 -0.14 -0.10 0.00 -0.52 0.00 0.00 55.73 55.49 3if9 s ARG 54 Cb 0.40 0.08 0.15 0.00 0.52 0.00 0.00 34.95 36.10 3if9 s ARG 54 CO -0.12 -0.04 1.92 -1.91 0.02 0.00 0.00 175.30 175.18 3if9 n GLU 55 N 2.47 3.53 -4.28 3.54 2.13 -1.26 -4.40 120.64 122.36 3if9 n GLU 55 Ca -0.17 -3.41 -0.36 0.00 0.66 0.00 0.00 57.16 53.88 3if9 n GLU 55 Cb 0.58 -2.97 -0.08 0.00 0.27 0.00 0.00 31.44 29.24 3if9 n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3if9 n GLU 57 N -3.98 -3.34 -1.91 0.00 1.02 -1.26 -5.00 120.64 106.16 3if9 n GLU 57 Ca -0.03 -0.89 -0.34 0.00 -0.02 0.00 0.00 57.16 55.88 3if9 n GLU 57 Cb 0.50 -1.07 0.03 0.00 -0.02 0.00 0.00 31.44 30.88 3if9 n GLU 57 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3if9 s GLU 58 N -4.27 2.95 -0.84 3.49 0.41 -1.26 -4.98 118.70 114.20 3if9 s GLU 58 Ca 0.40 1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 56.26 3if9 s GLU 58 Cb -0.06 -1.96 0.11 0.00 -1.78 0.00 0.00 34.13 30.43 3if9 s GLU 58 CO 0.32 -1.15 1.09 1.03 -0.49 0.00 0.00 175.26 176.06 3if9 s ARG 59 N -3.79 3.43 0.00 1.61 3.00 -1.26 -4.70 118.95 117.24 3if9 s ARG 59 Ca 0.70 -1.41 0.00 0.00 0.00 0.00 0.00 55.73 55.02 3if9 s ARG 59 Cb -0.22 -4.71 0.00 0.00 0.00 0.00 0.00 34.95 30.02 3if9 s ARG 59 CO 0.37 -1.81 0.00 -0.40 0.00 0.00 0.00 175.30 173.46 3if9 n ASP 60 N 7.07 1.11 0.10 0.23 5.75 -1.26 -5.02 116.55 124.54 3if9 n ASP 60 Ca 0.15 -0.73 0.02 0.00 -0.01 0.00 0.00 54.79 54.22 3if9 n ASP 60 Cb 0.48 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.95 3if9 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3if9 h ALA 61 N 1.00 1.50 -0.39 2.12 0.00 -1.93 -2.63 119.26 118.93 3if9 h ALA 61 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3if9 h ALA 61 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3if9 h ALA 61 CO 0.00 0.36 0.21 0.35 0.00 0.00 0.00 179.25 180.17 3if9 h PHE 62 N 0.27 0.55 -0.42 0.00 3.57 -1.94 -2.31 116.94 116.65 3if9 h PHE 62 Ca 0.06 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3if9 h PHE 62 Cb 0.36 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3if9 h PHE 62 CO 0.01 0.44 0.15 0.35 -2.23 0.00 0.00 178.31 177.02 3if9 h PHE 63 N 0.50 0.66 -0.47 0.41 3.57 -1.80 -2.22 116.94 117.59 3if9 h PHE 63 Ca 0.14 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3if9 h PHE 63 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3if9 h PHE 63 CO -0.02 0.59 0.25 -0.44 -2.23 0.00 0.00 178.31 176.47 3if9 h ASP 64 N 0.54 0.59 -0.99 0.41 3.32 -1.35 0.32 116.42 119.26 3if9 h ASP 64 Ca 0.14 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3if9 h ASP 64 Cb 0.23 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 3if9 h ASP 64 CO -0.01 0.52 0.65 0.15 -1.72 0.00 0.00 179.24 178.83 3if9 h PHE 65 N 0.62 1.21 0.19 4.55 3.57 -1.43 0.11 116.94 125.76 3if9 h PHE 65 Ca 0.17 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3if9 h PHE 65 Cb 0.06 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.40 3if9 h PHE 65 CO -0.02 0.68 -0.09 0.00 -2.23 0.00 0.00 178.31 176.65 3if9 h ALA 66 N 1.43 -0.25 -0.70 2.41 0.00 -0.73 -0.71 119.26 120.70 3if9 h ALA 66 Ca 0.40 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.26 3if9 h ALA 66 Cb 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3if9 h ALA 66 CO -0.14 -0.53 0.46 0.52 0.00 0.00 0.00 179.25 179.57 3if9 h MET 67 N -0.48 0.58 -0.20 0.00 2.86 -0.58 0.19 114.93 117.29 3if9 h MET 67 Ca -0.03 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3if9 h MET 67 Cb 0.37 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3if9 h MET 67 CO 0.04 0.38 -0.23 1.25 1.06 0.00 0.00 176.91 179.42 3if9 h HIS 68 N 0.60 0.62 -0.41 -0.22 6.17 -0.62 -1.59 115.15 119.70 3if9 h HIS 68 Ca 0.32 -0.19 -0.06 0.00 0.71 0.00 0.00 60.37 61.15 3if9 h HIS 68 Cb 0.46 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 3if9 h HIS 68 CO -0.00 0.88 0.00 1.03 0.71 0.00 0.00 177.93 180.55 3if9 h SER 69 N 0.19 0.62 -0.57 3.26 0.87 -0.25 -1.13 113.55 116.54 3if9 h SER 69 Ca 0.03 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3if9 h SER 69 Cb 0.79 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 3if9 h SER 69 CO 0.06 0.69 0.30 -0.61 -0.53 0.00 0.00 176.83 176.73 3if9 h GLN 70 N 0.62 0.80 -0.72 2.24 4.15 -0.88 -2.68 115.11 118.65 3if9 h GLN 70 Ca 0.13 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3if9 h GLN 70 Cb 0.39 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 3if9 h GLN 70 CO 0.01 0.63 0.47 0.00 -1.93 0.00 0.00 178.83 178.02 3if9 h ARG 71 N 0.77 0.96 0.00 1.69 3.08 -0.58 -2.57 114.38 117.73 3if9 h ARG 71 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3if9 h ARG 71 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3if9 h ARG 71 CO -0.03 0.64 0.00 -0.07 -1.07 0.00 0.00 179.97 179.44 3if9 h LEU 72 N 0.98 0.00 -0.60 3.04 3.38 -0.89 -1.53 115.31 119.68 3if9 h LEU 72 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3if9 h LEU 72 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3if9 h LEU 72 CO -0.06 0.00 0.00 1.88 0.09 0.00 0.00 178.44 180.35 3if9 h TYR 73 N 0.00 0.00 -0.68 1.13 -1.99 -1.29 -3.36 116.97 110.79 3if9 h TYR 73 Ca 0.00 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 3if9 h TYR 73 Cb 0.06 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.72 3if9 h TYR 73 CO 0.00 0.00 0.32 -0.22 -0.00 0.00 0.00 178.16 178.26 3if9 h LYS 74 N 0.00 0.53 -0.21 4.88 3.64 -1.40 -1.71 116.57 122.30 3if9 h LYS 74 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3if9 h LYS 74 Cb 0.70 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3if9 h LYS 74 CO 0.00 0.35 0.00 0.41 -2.27 0.00 0.00 179.45 177.94 3if9 n GLY 75 N -1.30 4.03 0.14 5.01 0.00 -1.26 -4.79 105.19 107.02 3if9 n GLY 75 Ca 0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 3if9 n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3if9 h LEU 76 N 1.39 0.40 -0.29 0.99 6.46 -1.44 -0.64 115.31 122.18 3if9 h LEU 76 Ca 0.00 -0.48 0.06 0.00 -0.12 0.00 0.00 57.88 57.34 3if9 h LEU 76 Cb 1.24 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 3if9 h LEU 76 CO 0.14 0.80 -0.11 1.23 -0.62 0.00 0.00 178.44 179.88 3if9 h GLY 77 N 0.01 0.14 0.92 3.75 0.00 -1.87 0.15 103.07 106.17 3if9 h GLY 77 Ca 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3if9 h GLY 77 CO 0.04 -0.14 0.11 -2.09 0.00 0.00 0.00 176.54 174.46 3if9 h GLU 78 N -0.06 0.54 -0.24 4.80 4.81 -1.90 0.11 114.58 122.64 3if9 h GLU 78 Ca 0.15 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3if9 h GLU 78 Cb 0.28 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3if9 h GLU 78 CO -0.33 0.57 -0.08 1.49 -0.73 0.00 0.00 179.01 179.92 3if9 h GLU 79 N 0.41 -0.03 0.00 1.92 4.81 -0.67 -2.42 114.58 118.61 3if9 h GLU 79 Ca 0.11 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 3if9 h GLU 79 Cb 0.25 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3if9 h GLU 79 CO -0.00 -0.02 -0.83 -0.07 -0.73 0.00 0.00 179.01 177.36 3if9 h LEU 80 N -0.03 0.00 -0.77 1.64 3.38 -0.60 -3.20 115.31 115.73 3if9 h LEU 80 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3if9 h LEU 80 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3if9 h LEU 80 CO -0.27 0.83 0.27 0.22 0.09 0.00 0.00 178.44 179.58 3if9 h TYR 81 N 0.00 1.22 -0.12 1.13 3.20 -0.65 0.09 116.97 121.83 3if9 h TYR 81 Ca -0.01 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3if9 h TYR 81 Cb 1.54 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3if9 h TYR 81 CO 0.00 0.94 0.08 0.00 -1.64 0.00 0.00 178.16 177.54 3if9 h ALA 82 N 1.14 1.91 0.00 1.82 0.00 -1.43 -1.87 119.26 120.84 3if9 h ALA 82 Ca 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 3if9 h ALA 82 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3if9 h ALA 82 CO -0.01 0.08 -2.08 1.28 0.00 0.00 0.00 179.25 178.52 3if9 n LEU 83 N -4.52 0.18 -0.01 0.00 4.77 -1.04 -4.70 117.00 111.68 3if9 n LEU 83 Ca -0.01 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 3if9 n LEU 83 Cb 0.08 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3if9 n LEU 83 CO 0.34 0.28 -0.60 -1.54 -1.33 0.00 0.00 177.39 174.55 3if9 n SER 84 N -2.63 3.46 0.00 -1.43 3.41 -0.01 -4.59 113.62 111.82 3if9 n SER 84 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3if9 n SER 84 Cb 0.92 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 66.10 3if9 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3if9 n GLY 85 N 2.18 0.56 3.61 5.00 0.00 -0.71 -4.89 105.19 110.94 3if9 n GLY 85 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3if9 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if9 s VAL 86 N -2.59 5.05 -0.18 1.61 1.01 -1.26 -5.03 120.40 119.00 3if9 s VAL 86 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3if9 s VAL 86 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3if9 s VAL 86 CO 0.00 0.35 0.63 -0.62 0.00 0.00 0.00 175.10 175.46 3if9 s ASP 87 N 1.12 6.71 0.00 3.32 2.15 -1.26 -4.19 116.67 124.52 3if9 s ASP 87 Ca 0.06 0.86 0.26 0.00 0.43 0.00 0.00 52.55 54.16 3if9 s ASP 87 Cb -0.14 -2.35 1.34 0.00 -0.30 0.00 0.00 42.92 41.48 3if9 s ASP 87 CO 0.05 -0.24 1.88 2.30 -0.17 0.00 0.00 175.17 178.98 3if9 n ILE 88 N 4.56 0.15 -3.14 4.11 -5.35 -1.26 -4.79 119.36 113.64 3if9 n ILE 88 Ca -0.02 0.04 -0.06 0.00 -0.27 0.00 0.00 62.75 62.44 3if9 n ILE 88 Cb 0.50 -0.61 0.03 0.00 -1.74 0.00 0.00 39.64 37.81 3if9 n ILE 88 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3if9 n ARG 89 N -1.24 -1.67 -2.82 6.28 1.74 -1.26 -1.63 116.66 116.05 3if9 n ARG 89 Ca 0.13 1.25 -0.41 0.00 -0.77 0.00 0.00 57.85 58.06 3if9 n ARG 89 Cb 0.19 -5.77 -0.04 0.00 -1.02 0.00 0.00 32.46 25.82 3if9 n ARG 89 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3if9 s GLN 90 N -3.55 4.54 -0.15 5.56 0.74 -1.26 -3.57 119.66 121.96 3if9 s GLN 90 Ca 0.17 1.25 0.02 0.00 0.05 0.00 0.00 55.36 56.86 3if9 s GLN 90 Cb -0.02 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.66 3if9 s GLN 90 CO 0.75 0.03 -0.20 -1.58 -0.55 0.00 0.00 175.29 173.73 3if9 s HIS 91 N 0.79 2.61 -0.46 1.67 5.65 -0.56 -5.02 115.29 119.96 3if9 s HIS 91 Ca 0.47 -1.39 0.04 0.00 0.25 0.00 0.00 55.06 54.42 3if9 s HIS 91 Cb -0.20 -1.80 0.55 0.00 -1.18 0.00 0.00 32.58 29.95 3if9 s HIS 91 CO 0.25 -0.66 1.79 0.09 -0.65 0.00 0.00 174.74 175.56 3if9 n ASN 92 N 4.28 4.68 0.21 9.88 3.02 -1.26 -2.33 115.26 133.73 3if9 n ASN 92 Ca -0.20 -3.72 0.08 0.00 -0.03 0.00 0.00 54.58 50.71 3if9 n ASN 92 Cb 0.51 -0.79 0.45 0.00 -0.61 0.00 0.00 39.78 39.34 3if9 n ASN 92 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3if9 h GLY 93 N 1.38 0.00 0.00 7.41 0.00 -1.90 -3.49 103.07 106.47 3if9 h GLY 93 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3if9 h GLY 93 CO 1.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.21 3if9 n GLY 94 N -0.06 -2.40 2.94 4.60 0.00 -1.26 -4.47 105.19 104.54 3if9 n GLY 94 Ca -0.01 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 3if9 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3if9 s MET 95 N -0.46 0.57 -0.26 1.61 0.00 -0.44 -0.79 119.30 119.52 3if9 s MET 95 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 55.69 55.44 3if9 s MET 95 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 34.83 34.23 3if9 s MET 95 CO 0.00 0.06 0.09 -0.06 0.00 0.00 0.00 175.02 175.11 3if9 s PHE 96 N 0.20 3.11 -0.60 4.11 2.99 0.54 -0.91 117.98 127.43 3if9 s PHE 96 Ca -0.02 -0.35 -0.21 0.00 0.00 0.00 0.00 56.93 56.34 3if9 s PHE 96 Cb -0.06 -2.26 0.07 0.00 0.00 0.00 0.00 43.02 40.76 3if9 s PHE 96 CO -0.00 -0.33 0.85 0.15 -0.00 0.00 0.00 175.22 175.88 3if9 s LYS 97 N 1.64 3.14 0.57 0.44 1.02 0.16 -1.11 119.74 125.60 3if9 s LYS 97 Ca 0.06 -0.84 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 3if9 s LYS 97 Cb -0.15 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.93 3if9 s LYS 97 CO 0.05 -1.59 1.09 -0.51 -0.92 0.00 0.00 175.35 173.46 3if9 s LEU 98 N 3.50 3.62 -0.04 3.17 1.43 0.63 -1.22 118.68 129.76 3if9 s LEU 98 Ca 0.20 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 3if9 s LEU 98 Cb -0.18 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.47 3if9 s LEU 98 CO 0.11 -1.23 -0.23 0.00 0.23 0.00 0.00 176.35 175.23 3if9 s ALA 99 N -2.12 1.97 -0.05 4.21 0.00 -0.65 -4.76 121.76 120.37 3if9 s ALA 99 Ca 0.68 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3if9 s ALA 99 Cb -0.20 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3if9 s ALA 99 CO 0.32 0.41 0.73 1.19 0.00 0.00 0.00 175.76 178.40 3if9 n PHE 100 N 2.84 0.01 -4.01 0.00 3.01 -1.26 -0.05 117.46 118.00 3if9 n PHE 100 Ca -0.17 -0.21 -0.10 0.00 1.01 0.00 0.00 57.45 57.98 3if9 n PHE 100 Cb 0.52 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 3if9 n PHE 100 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3if9 s SER 101 N -0.45 -0.00 0.29 4.37 1.04 -1.26 -4.86 113.70 112.82 3if9 s SER 101 Ca 0.01 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.52 3if9 s SER 101 Cb 0.00 0.49 0.43 0.00 0.10 0.00 0.00 66.02 67.05 3if9 s SER 101 CO 0.01 -0.99 1.71 -0.33 0.98 0.00 0.00 173.24 174.62 3if9 h GLU 102 N 2.43 0.35 -0.24 4.02 4.39 -2.00 -2.12 114.58 121.41 3if9 h GLU 102 Ca -0.30 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.16 3if9 h GLU 102 Cb 1.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3if9 h GLU 102 CO 0.44 0.66 -0.23 1.49 -1.16 0.00 0.00 179.01 180.20 3if9 h GLU 103 N 0.30 0.44 -0.11 2.33 4.22 -1.99 -2.07 114.58 117.69 3if9 h GLU 103 Ca 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 3if9 h GLU 103 Cb 0.76 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3if9 h GLU 103 CO 0.06 0.65 0.02 -0.44 -2.18 0.00 0.00 179.01 177.12 3if9 h ASP 104 N 0.39 0.17 0.23 1.04 3.32 -1.86 -2.36 116.42 117.36 3if9 h ASP 104 Ca 0.06 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3if9 h ASP 104 Cb 0.62 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3if9 h ASP 104 CO 0.04 0.38 -0.46 0.58 -1.72 0.00 0.00 179.24 178.06 3if9 h VAL 105 N -0.04 0.09 -0.66 -1.35 2.07 -1.28 -1.49 116.25 113.60 3if9 h VAL 105 Ca 0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.69 3if9 h VAL 105 Cb 0.27 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.02 3if9 h VAL 105 CO 0.00 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.76 3if9 h LEU 106 N -0.77 -0.45 -0.60 2.57 6.46 -1.41 0.79 115.31 121.90 3if9 h LEU 106 Ca -0.01 0.18 -0.15 0.00 -0.12 0.00 0.00 57.88 57.78 3if9 h LEU 106 Cb 0.75 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 3if9 h LEU 106 CO -0.20 -0.18 -0.60 -0.61 -0.62 0.00 0.00 178.44 176.23 3if9 h GLN 107 N 0.05 0.33 -0.05 1.25 4.15 -1.24 -3.20 115.11 116.40 3if9 h GLN 107 Ca 0.34 -0.23 -0.19 0.00 0.77 0.00 0.00 58.65 59.34 3if9 h GLN 107 Cb 0.54 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 3if9 h GLN 107 CO -0.63 0.83 -0.79 -0.07 -1.93 0.00 0.00 178.83 176.25 3if9 h LEU 108 N 0.25 0.47 0.00 -2.39 3.38 -0.11 -3.05 115.31 113.86 3if9 h LEU 108 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3if9 h LEU 108 Cb 1.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3if9 h LEU 108 CO 0.10 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.26 3if9 n ARG 109 N -3.80 0.34 0.00 1.13 1.74 0.14 -2.15 116.66 114.06 3if9 n ARG 109 Ca -0.05 0.09 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 3if9 n ARG 109 Cb 0.74 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.77 3if9 n ARG 109 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3if9 n GLN 110 N -1.23 0.67 0.00 5.56 6.02 -1.15 -3.11 117.38 124.14 3if9 n GLN 110 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3if9 n GLN 110 Cb 0.14 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.33 3if9 n GLN 110 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3if9 n MET 111 N -0.57 3.98 -0.31 -1.09 2.81 -0.91 -4.83 117.12 116.20 3if9 n MET 111 Ca 0.02 -0.06 0.28 0.00 -1.81 0.00 0.00 57.70 56.13 3if9 n MET 111 Cb 0.01 -0.45 0.62 0.00 -0.71 0.00 0.00 33.22 32.69 3if9 n MET 111 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3if9 h ASP 112 N 0.00 0.24 0.38 7.83 3.32 -1.71 -0.97 116.42 125.51 3if9 h ASP 112 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3if9 h ASP 112 Cb 0.03 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3if9 h ASP 112 CO 0.00 0.04 -0.14 -2.24 -1.72 0.00 0.00 179.24 175.19 3if9 h ASP 113 N 0.21 0.00 -3.90 6.45 2.03 -1.85 -3.43 116.42 115.94 3if9 h ASP 113 Ca 0.58 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 56.35 3if9 h ASP 113 Cb 1.83 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 40.40 3if9 h ASP 113 CO -0.17 0.14 0.67 -0.76 -1.03 0.00 0.00 179.24 178.08 3if9 s LEU 114 N -7.37 4.39 0.48 0.15 1.43 -0.37 -4.91 118.68 112.48 3if9 s LEU 114 Ca -0.03 2.77 0.27 0.00 -1.03 0.00 0.00 54.13 56.11 3if9 s LEU 114 Cb 0.13 -3.67 0.99 0.00 0.03 0.00 0.00 46.19 43.67 3if9 s LEU 114 CO 0.60 -0.63 1.85 0.44 0.23 0.00 0.00 176.35 178.83 3if9 h ASP 115 N 3.25 0.00 1.62 2.29 5.19 -1.88 -2.65 116.42 124.24 3if9 h ASP 115 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3if9 h ASP 115 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3if9 h ASP 115 CO 0.65 0.12 -0.01 0.77 -3.12 0.00 0.00 179.24 177.65 3if9 h SER 116 N 0.00 0.00 -3.32 6.45 4.64 -1.92 -3.45 113.55 115.96 3if9 h SER 116 Ca -0.00 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3if9 h SER 116 Cb 0.71 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.53 3if9 h SER 116 CO 0.02 0.00 -0.76 -0.69 -0.87 0.00 0.00 176.83 174.53 3if9 s VAL 117 N -3.13 3.11 0.31 0.95 1.01 -1.00 -3.50 120.40 118.14 3if9 s VAL 117 Ca 0.09 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3if9 s VAL 117 Cb 0.10 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 3if9 s VAL 117 CO 0.62 0.51 -0.04 -0.94 0.00 0.00 0.00 175.10 175.24 3if9 s SER 118 N 0.59 2.96 -0.13 3.32 1.04 -1.04 -4.65 113.70 115.80 3if9 s SER 118 Ca -0.07 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.09 3if9 s SER 118 Cb -0.15 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 3if9 s SER 118 CO 0.03 -0.37 0.00 0.86 0.98 0.00 0.00 173.24 174.75 3if9 s TRP 119 N -2.96 3.14 -0.05 5.02 -0.11 -1.26 -1.33 118.94 121.38 3if9 s TRP 119 Ca 0.31 0.02 0.02 0.00 1.22 0.00 0.00 56.10 57.67 3if9 s TRP 119 Cb 0.05 -1.90 -0.03 0.00 -1.50 0.00 0.00 33.47 30.09 3if9 s TRP 119 CO 0.14 0.25 -0.09 0.71 -4.62 0.00 0.00 176.95 173.33 3if9 s TYR 120 N -0.25 2.86 0.63 5.86 1.51 0.09 -4.96 117.35 123.09 3if9 s TYR 120 Ca 0.06 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 3if9 s TYR 120 Cb -0.12 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 3if9 s TYR 120 CO 0.02 0.30 1.02 -1.54 -1.11 0.00 0.00 175.55 174.24 3if9 s SER 121 N -0.90 6.02 0.24 2.29 1.04 -1.26 -1.24 113.70 119.89 3if9 s SER 121 Ca 0.13 1.29 -0.09 0.00 0.48 0.00 0.00 55.95 57.76 3if9 s SER 121 Cb -0.11 -2.29 0.36 0.00 0.10 0.00 0.00 66.02 64.08 3if9 s SER 121 CO 0.02 -0.97 1.37 1.17 0.98 0.00 0.00 173.24 175.81 3if9 n LYS 122 N -2.77 -0.11 -0.21 4.02 4.81 -1.25 -0.31 118.16 122.35 3if9 n LYS 122 Ca 0.06 1.37 -0.09 0.00 -0.87 0.00 0.00 58.31 58.78 3if9 n LYS 122 Cb 0.55 -2.04 0.03 0.00 0.02 0.00 0.00 35.03 33.59 3if9 n LYS 122 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3if9 h GLU 123 N 0.00 1.07 -0.23 1.64 3.07 -1.94 -2.30 114.58 115.89 3if9 h GLU 123 Ca 0.40 -0.34 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 3if9 h GLU 123 Cb 0.62 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3if9 h GLU 123 CO -0.90 1.04 -0.42 0.93 -1.40 0.00 0.00 179.01 178.26 3if9 h GLU 124 N 0.97 0.55 0.22 2.33 5.08 -1.02 -0.76 114.58 121.96 3if9 h GLU 124 Ca 0.17 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3if9 h GLU 124 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3if9 h GLU 124 CO 0.03 0.88 -0.10 0.28 -1.00 0.00 0.00 179.01 179.10 3if9 h VAL 125 N 0.45 0.81 0.00 3.13 2.07 -1.07 -3.13 116.25 118.51 3if9 h VAL 125 Ca 0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3if9 h VAL 125 Cb 0.93 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3if9 h VAL 125 CO 0.08 0.03 -0.12 -0.07 0.02 0.00 0.00 177.57 177.51 3if9 h LEU 126 N -0.35 0.00 -1.17 2.57 3.38 -1.22 0.33 115.31 118.84 3if9 h LEU 126 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3if9 h LEU 126 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3if9 h LEU 126 CO 0.05 0.12 -0.06 -0.08 0.09 0.00 0.00 178.44 178.56 3if9 h GLU 127 N 0.00 0.50 0.06 1.13 4.81 -1.09 -2.51 114.58 117.48 3if9 h GLU 127 Ca -0.00 -0.12 -0.35 0.00 -0.13 0.00 0.00 59.36 58.75 3if9 h GLU 127 Cb 0.48 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3if9 h GLU 127 CO 0.02 0.58 -2.07 1.63 -0.73 0.00 0.00 179.01 178.43 3if9 n LYS 128 N -4.25 0.70 -3.57 1.92 4.76 0.21 -4.69 118.16 113.25 3if9 n LYS 128 Ca 0.01 0.22 -0.28 0.00 -2.87 0.00 0.00 58.31 55.39 3if9 n LYS 128 Cb 0.28 -1.67 -0.12 0.00 -1.84 0.00 0.00 35.03 31.68 3if9 n LYS 128 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3if9 s GLU 129 N -2.55 1.14 0.59 1.97 0.41 0.90 -4.92 118.70 116.22 3if9 s GLU 129 Ca -0.20 -2.05 0.34 0.00 -0.41 0.00 0.00 54.97 52.65 3if9 s GLU 129 Cb 0.07 -1.92 1.86 0.00 -1.78 0.00 0.00 34.13 32.36 3if9 s GLU 129 CO 0.75 -1.27 2.04 -1.35 -0.49 0.00 0.00 175.26 174.95 3if9 h PRO 130 N 6.26 0.00 -0.00 0.39 0.11 -1.68 -2.50 132.00 134.57 3if9 h PRO 130 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3if9 h PRO 130 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3if9 h PRO 130 CO 0.42 0.00 -0.64 0.66 -0.21 0.00 0.00 178.00 178.23 3if9 n TYR 131 N -2.81 0.00 -1.60 0.65 4.02 -1.26 -4.90 117.16 111.25 3if9 n TYR 131 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.42 3if9 n TYR 131 Cb 0.18 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 3if9 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3if9 n ALA 132 N -1.03 -0.04 -1.52 -0.72 0.00 -0.94 -4.17 120.51 112.08 3if9 n ALA 132 Ca 0.07 0.39 -0.48 0.00 0.00 0.00 0.00 53.44 53.42 3if9 n ALA 132 Cb 0.37 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3if9 n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3if9 n SER 133 N 1.20 0.42 0.02 0.00 2.88 -0.19 -4.86 113.62 113.10 3if9 n SER 133 Ca 0.09 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.88 3if9 n SER 133 Cb 0.32 -1.14 0.40 0.00 -0.75 0.00 0.00 64.21 63.04 3if9 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3if9 n GLY 134 N 1.69 -1.16 0.25 0.46 0.00 -1.26 -3.15 105.19 102.03 3if9 n GLY 134 Ca 0.14 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3if9 n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3if9 n ASP 135 N -1.62 0.79 -4.78 1.61 8.00 -1.26 -4.92 116.55 114.36 3if9 n ASP 135 Ca 0.04 -1.35 -0.32 0.00 0.71 0.00 0.00 54.79 53.87 3if9 n ASP 135 Cb 0.22 -0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3if9 n ASP 135 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3if9 s ILE 136 N -1.97 3.43 -1.92 0.53 -4.36 -1.19 -4.74 121.20 110.99 3if9 s ILE 136 Ca 0.39 0.57 0.16 0.00 -0.26 0.00 0.00 60.65 61.51 3if9 s ILE 136 Cb 0.19 -3.10 0.11 0.00 1.25 0.00 0.00 42.46 40.91 3if9 s ILE 136 CO 0.32 -0.50 0.98 0.49 0.24 0.00 0.00 174.94 176.47 3if9 n PHE 137 N -2.84 0.00 0.00 1.37 3.01 0.93 -4.82 117.46 115.11 3if9 n PHE 137 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3if9 n PHE 137 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3if9 n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3if9 n GLY 138 N 0.92 0.73 3.56 1.37 0.00 -1.26 -3.89 105.19 106.62 3if9 n GLY 138 Ca 0.09 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 3if9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 139 N -1.33 -1.69 -0.10 4.61 0.00 -0.37 -1.64 121.76 121.24 3if9 s ALA 139 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 3if9 s ALA 139 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3if9 s ALA 139 CO 0.00 -0.34 1.52 -1.12 0.00 0.00 0.00 175.76 175.82 3if9 s SER 140 N -0.22 6.76 -0.25 0.00 0.01 -0.36 -0.73 113.70 118.91 3if9 s SER 140 Ca -0.04 2.02 -0.10 0.00 1.31 0.00 0.00 55.95 59.14 3if9 s SER 140 Cb -0.03 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3if9 s SER 140 CO 0.04 -0.88 0.16 0.12 0.41 0.00 0.00 173.24 173.09 3if9 s PHE 141 N 3.89 3.28 -0.22 2.43 5.36 -0.44 0.37 117.98 132.65 3if9 s PHE 141 Ca 0.67 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.83 3if9 s PHE 141 Cb -0.29 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.14 3if9 s PHE 141 CO 0.24 0.00 -0.16 0.42 -1.46 0.00 0.00 175.22 174.26 3if9 s ILE 142 N 1.21 2.12 0.18 3.12 1.01 -0.09 -2.50 121.20 126.25 3if9 s ILE 142 Ca 0.07 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.42 3if9 s ILE 142 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3if9 s ILE 142 CO 0.06 0.28 1.52 -0.61 0.00 0.00 0.00 174.94 176.19 3if9 h GLN 143 N 7.87 0.69 0.00 2.79 5.75 -1.86 -1.18 115.11 129.17 3if9 h GLN 143 Ca -0.34 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 57.78 3if9 h GLN 143 Cb 1.10 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.67 3if9 h GLN 143 CO 0.56 1.00 -1.20 -0.25 -2.65 0.00 0.00 178.83 176.29 3if9 n ASP 144 N -4.01 0.58 -4.04 -0.69 8.00 -1.26 -4.28 116.55 110.86 3if9 n ASP 144 Ca -0.02 -0.35 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 3if9 n ASP 144 Cb 0.56 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.66 3if9 n ASP 144 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if9 n ASP 145 N -1.92 2.73 -1.94 -2.24 9.92 -1.25 -4.86 116.55 116.99 3if9 n ASP 145 Ca 0.01 -2.68 0.00 0.00 -0.53 0.00 0.00 54.79 51.59 3if9 n ASP 145 Cb 0.44 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 3if9 n ASP 145 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3if9 n VAL 146 N 6.81 0.00 -3.84 2.53 0.24 -1.26 -3.93 118.33 118.87 3if9 n VAL 146 Ca 0.48 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.68 3if9 n VAL 146 Cb 0.43 -1.61 -0.05 0.00 -1.47 0.00 0.00 33.84 31.14 3if9 n VAL 146 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3if9 s HIS 147 N 0.15 0.09 0.29 6.34 -3.43 -0.99 -0.40 115.29 117.35 3if9 s HIS 147 Ca 0.00 -0.44 0.01 0.00 -0.80 0.00 0.00 55.06 53.83 3if9 s HIS 147 Cb 0.00 0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 31.39 3if9 s HIS 147 CO 0.00 -0.90 0.30 0.14 -2.00 0.00 0.00 174.74 172.29 3if9 s VAL 148 N -3.92 0.00 -0.38 -5.38 -7.23 0.04 -1.50 120.40 102.02 3if9 s VAL 148 Ca 0.13 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 3if9 s VAL 148 Cb -0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.44 3if9 s VAL 148 CO 0.00 0.00 0.26 -1.61 -0.31 0.00 0.00 175.10 173.44 3if9 s GLU 149 N -3.59 3.11 0.20 4.82 2.02 -0.65 -4.30 118.70 120.31 3if9 s GLU 149 Ca 0.36 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 3if9 s GLU 149 Cb 0.03 -3.87 0.15 0.00 0.10 0.00 0.00 34.13 30.54 3if9 s GLU 149 CO 0.20 -0.64 1.86 -1.35 0.02 0.00 0.00 175.26 175.35 3if9 h PRO 150 N 8.54 0.86 -0.60 0.39 0.11 -1.84 -1.32 132.00 138.15 3if9 h PRO 150 Ca -0.28 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 65.89 3if9 h PRO 150 Cb 1.13 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 31.96 3if9 h PRO 150 CO 0.69 0.57 0.10 -0.92 -0.21 0.00 0.00 178.00 178.23 3if9 h TYR 151 N 0.89 0.16 0.01 0.65 3.20 -1.89 -0.82 116.97 119.16 3if9 h TYR 151 Ca 0.26 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.96 3if9 h TYR 151 Cb -0.05 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3if9 h TYR 151 CO -0.03 -0.05 -0.90 0.74 -1.64 0.00 0.00 178.16 176.27 3if9 h PHE 152 N 0.23 0.38 -0.76 -3.82 -1.00 -1.78 -0.72 116.94 109.47 3if9 h PHE 152 Ca 0.31 -0.21 0.12 0.00 2.81 0.00 0.00 57.97 61.00 3if9 h PHE 152 Cb 0.47 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.91 3if9 h PHE 152 CO -0.27 1.03 0.36 0.28 -1.61 0.00 0.00 178.31 178.10 3if9 h VAL 153 N 0.14 0.76 -0.44 -0.55 2.07 -0.86 0.35 116.25 117.71 3if9 h VAL 153 Ca -0.05 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3if9 h VAL 153 Cb 1.54 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3if9 h VAL 153 CO 0.14 0.10 0.04 0.00 0.02 0.00 0.00 177.57 177.88 3if9 h LYS 155 N 0.61 0.75 -0.46 0.00 1.79 -0.59 -2.19 116.57 116.47 3if9 h LYS 155 Ca 0.13 -0.52 0.09 0.00 -2.18 0.00 0.00 60.65 58.17 3if9 h LYS 155 Cb 0.43 0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.08 3if9 h LYS 155 CO 0.01 1.14 -0.03 0.00 -1.08 0.00 0.00 179.45 179.50 3if9 h ALA 156 N 0.60 0.40 0.04 3.86 0.00 -0.31 -0.60 119.26 123.26 3if9 h ALA 156 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3if9 h ALA 156 Cb 1.17 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3if9 h ALA 156 CO 0.12 -0.40 -0.02 1.88 0.00 0.00 0.00 179.25 180.83 3if9 h TYR 157 N 0.08 -0.05 -0.49 0.00 0.99 -1.35 0.05 116.97 116.21 3if9 h TYR 157 Ca 0.23 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.86 3if9 h TYR 157 Cb 0.34 0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.07 3if9 h TYR 157 CO -0.32 0.05 -0.10 -0.24 -0.00 0.00 0.00 178.16 177.55 3if9 h VAL 158 N -0.14 1.26 -0.21 -2.88 3.04 -1.23 0.02 116.25 116.11 3if9 h VAL 158 Ca -0.01 -1.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.43 3if9 h VAL 158 Cb 0.13 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 3if9 h VAL 158 CO 0.01 0.42 -0.03 0.50 -1.01 0.00 0.00 177.57 177.46 3if9 h LYS 159 N 0.80 0.40 -0.82 4.17 1.63 -1.05 -1.55 116.57 120.15 3if9 h LYS 159 Ca 0.13 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 3if9 h LYS 159 Cb 0.62 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.15 3if9 h LYS 159 CO 0.04 0.62 0.48 0.00 -3.45 0.00 0.00 179.45 177.14 3if9 h ALA 160 N 0.76 1.15 -0.12 5.00 0.00 -0.77 -2.11 119.26 123.17 3if9 h ALA 160 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3if9 h ALA 160 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3if9 h ALA 160 CO 0.02 0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.46 3if9 h ALA 161 N 1.43 0.16 -0.59 0.00 0.00 -0.72 -1.51 119.26 118.04 3if9 h ALA 161 Ca 0.38 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3if9 h ALA 161 Cb 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3if9 h ALA 161 CO -0.22 -0.28 0.14 0.87 0.00 0.00 0.00 179.25 179.76 3if9 h LYS 162 N 0.06 0.27 -0.36 0.00 1.57 -0.77 -0.07 116.57 117.26 3if9 h LYS 162 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3if9 h LYS 162 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3if9 h LYS 162 CO -0.00 0.18 0.13 0.52 -0.57 0.00 0.00 179.45 179.70 3if9 h MET 163 N 0.28 0.52 0.00 3.15 2.86 -1.12 0.27 114.93 120.89 3if9 h MET 163 Ca 0.30 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3if9 h MET 163 Cb 0.44 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3if9 h MET 163 CO -0.38 0.45 0.00 1.28 1.06 0.00 0.00 176.91 179.32 3if9 n LEU 164 N -4.38 0.00 0.00 1.22 4.77 -0.15 -4.88 117.00 113.58 3if9 n LEU 164 Ca 0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3if9 n LEU 164 Cb 0.15 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3if9 n LEU 164 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3if9 n GLY 165 N 1.03 0.90 3.77 -0.72 0.00 0.08 -4.88 105.19 105.39 3if9 n GLY 165 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3if9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 166 N -2.00 2.66 -0.20 4.61 0.00 -0.70 -4.77 121.76 121.35 3if9 s ALA 166 Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 3if9 s ALA 166 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3if9 s ALA 166 CO 0.00 -0.85 -0.02 -1.21 0.00 0.00 0.00 175.76 173.69 3if9 s GLU 167 N -3.43 3.53 -0.18 0.00 2.02 -0.56 -4.27 118.70 115.82 3if9 s GLU 167 Ca 0.72 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 55.11 3if9 s GLU 167 Cb -0.23 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 3if9 s GLU 167 CO 0.29 -0.05 -0.04 0.42 0.02 0.00 0.00 175.26 175.90 3if9 s ILE 168 N 1.13 3.68 -0.37 -1.63 -1.09 -1.26 -0.52 121.20 121.14 3if9 s ILE 168 Ca 0.02 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3if9 s ILE 168 Cb -0.14 -2.63 0.11 0.00 -1.58 0.00 0.00 42.46 38.21 3if9 s ILE 168 CO 0.01 0.47 0.11 -0.36 -1.23 0.00 0.00 174.94 173.93 3if9 s PHE 169 N 0.75 2.94 0.82 3.97 0.40 -0.53 -4.99 117.98 121.34 3if9 s PHE 169 Ca -0.02 -2.62 -0.12 0.00 -0.60 0.00 0.00 56.93 53.57 3if9 s PHE 169 Cb -0.15 -2.47 0.08 0.00 0.51 0.00 0.00 43.02 41.00 3if9 s PHE 169 CO 0.02 -0.89 1.13 -1.21 0.70 0.00 0.00 175.22 174.97 3if9 s GLU 170 N 0.88 1.90 -1.36 0.44 2.02 -1.26 -1.61 118.70 119.72 3if9 s GLU 170 Ca 0.12 0.37 -0.06 0.00 0.02 0.00 0.00 54.97 55.42 3if9 s GLU 170 Cb -0.20 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.14 3if9 s GLU 170 CO -0.11 -1.69 0.42 0.72 0.02 0.00 0.00 175.26 174.62 3if9 n HIS 171 N -3.43 -1.74 -3.59 1.61 8.25 -0.26 -4.83 115.22 111.23 3if9 n HIS 171 Ca 0.07 0.38 -0.29 0.00 -0.26 0.00 0.00 57.72 57.62 3if9 n HIS 171 Cb 0.59 -3.48 -0.12 0.00 1.12 0.00 0.00 29.99 28.10 3if9 n HIS 171 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3if9 s THR 172 N -2.96 0.85 0.41 1.59 2.01 0.44 -4.95 115.64 113.03 3if9 s THR 172 Ca 0.28 -2.28 -0.26 0.00 0.31 0.00 0.00 61.69 59.73 3if9 s THR 172 Cb -0.14 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 3if9 s THR 172 CO 0.34 -0.97 1.31 -2.84 -0.69 0.00 0.00 174.62 171.77 3if9 s PRO 173 N 0.55 3.95 -0.20 4.92 0.02 -1.26 -3.47 135.00 139.51 3if9 s PRO 173 Ca 0.19 2.16 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 3if9 s PRO 173 Cb -0.20 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3if9 s PRO 173 CO -0.02 -0.51 0.67 0.08 -0.33 0.00 0.00 177.00 176.89 3if9 s VAL 174 N -1.26 4.99 -0.01 3.83 1.01 -1.26 -4.16 120.40 123.53 3if9 s VAL 174 Ca 0.57 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.82 3if9 s VAL 174 Cb -0.38 -3.98 -0.26 0.00 0.00 0.00 0.00 36.38 31.76 3if9 s VAL 174 CO 0.49 0.09 0.79 -0.07 0.00 0.00 0.00 175.10 176.39 3if9 h LEU 175 N 8.30 0.27 -7.00 3.92 3.38 -0.91 -3.49 115.31 119.79 3if9 h LEU 175 Ca -0.30 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 3if9 h LEU 175 Cb 1.14 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.61 3if9 h LEU 175 CO 0.79 1.37 0.18 -2.28 0.09 0.00 0.00 178.44 178.59 3if9 s HIS 176 N -2.61 -0.68 -0.10 1.13 5.04 -1.23 -4.99 115.29 111.85 3if9 s HIS 176 Ca -0.09 1.25 0.03 0.00 -1.54 0.00 0.00 55.06 54.71 3if9 s HIS 176 Cb 0.07 0.39 -0.00 0.00 0.04 0.00 0.00 32.58 33.08 3if9 s HIS 176 CO 0.83 -0.57 -0.22 0.08 -2.34 0.00 0.00 174.74 172.53 3if9 s VAL 177 N -0.94 2.28 -0.03 0.89 1.01 -1.26 -1.63 120.40 120.71 3if9 s VAL 177 Ca -0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3if9 s VAL 177 Cb -0.01 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3if9 s VAL 177 CO 0.09 0.55 0.03 -0.70 0.00 0.00 0.00 175.10 175.07 3if9 s GLU 178 N 0.31 0.08 0.00 2.72 2.56 -0.33 -4.87 118.70 119.17 3if9 s GLU 178 Ca -0.16 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.04 3if9 s GLU 178 Cb -0.17 -0.47 0.00 0.00 2.00 0.00 0.00 34.13 35.49 3if9 s GLU 178 CO 0.08 -0.24 0.00 -2.13 -0.56 0.00 0.00 175.26 172.41 3if9 n ARG 179 N 4.72 0.00 -0.10 4.30 3.00 -1.26 0.17 116.66 127.48 3if9 n ARG 179 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.46 3if9 n ARG 179 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.85 3if9 n ARG 179 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3if9 n ASP 180 N 0.00 1.97 -3.78 6.15 8.00 -1.26 -5.00 116.55 122.63 3if9 n ASP 180 Ca 0.00 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.45 3if9 n ASP 180 Cb 0.00 -0.77 0.24 0.00 -0.02 0.00 0.00 41.12 40.57 3if9 n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3if9 n GLY 181 N 1.66 -2.98 0.49 0.44 0.00 -1.26 -4.92 105.19 98.61 3if9 n GLY 181 Ca -0.43 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 3if9 n GLY 181 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3if9 h GLU 182 N -3.01 -0.88 -6.71 1.61 4.57 -1.99 -3.42 114.58 104.76 3if9 h GLU 182 Ca -0.45 0.06 -0.47 0.00 -1.18 0.00 0.00 59.36 57.32 3if9 h GLU 182 Cb 1.23 0.20 0.02 0.00 -0.16 0.00 0.00 28.75 30.04 3if9 h GLU 182 CO 0.31 -0.58 -0.07 0.00 -1.18 0.00 0.00 179.01 177.49 3if9 s ALA 183 N -5.86 3.62 0.50 2.92 0.00 -1.26 -5.06 121.76 116.62 3if9 s ALA 183 Ca -0.17 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 3if9 s ALA 183 Cb 0.05 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 3if9 s ALA 183 CO 0.61 -0.27 1.02 -0.51 0.00 0.00 0.00 175.76 176.62 3if9 s LEU 184 N -4.54 3.77 0.01 0.00 1.43 -0.82 -4.45 118.68 114.08 3if9 s LEU 184 Ca 0.45 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 55.36 3if9 s LEU 184 Cb -0.10 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 3if9 s LEU 184 CO 0.39 -0.77 0.03 0.72 0.23 0.00 0.00 176.35 176.95 3if9 s PHE 185 N -2.17 0.16 -0.00 0.29 -0.12 0.44 -0.49 117.98 116.08 3if9 s PHE 185 Ca 0.65 -0.34 0.07 0.00 -0.05 0.00 0.00 56.93 57.27 3if9 s PHE 185 Cb -0.14 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 3if9 s PHE 185 CO 0.23 -0.20 -0.23 0.96 -0.05 0.00 0.00 175.22 175.94 3if9 s ILE 186 N -1.26 2.35 -0.21 -4.49 -4.36 0.32 -1.19 121.20 112.35 3if9 s ILE 186 Ca -0.14 -1.11 -0.10 0.00 -0.26 0.00 0.00 60.65 59.04 3if9 s ILE 186 Cb -0.08 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 3if9 s ILE 186 CO -0.00 0.50 0.14 -0.54 0.24 0.00 0.00 174.94 175.28 3if9 s LYS 187 N -0.88 4.14 0.35 0.37 1.02 -0.64 -1.29 119.74 122.82 3if9 s LYS 187 Ca 0.11 -0.24 0.09 0.00 0.02 0.00 0.00 55.97 55.95 3if9 s LYS 187 Cb -0.10 -3.46 -0.07 0.00 -0.52 0.00 0.00 37.83 33.69 3if9 s LYS 187 CO 0.01 0.21 -0.06 0.95 -0.92 0.00 0.00 175.35 175.54 3if9 s THR 188 N 0.61 2.26 -0.63 2.17 -4.23 -1.08 -0.14 115.64 114.60 3if9 s THR 188 Ca 0.08 -2.14 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 3if9 s THR 188 Cb -0.12 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 71.11 3if9 s THR 188 CO 0.00 -0.17 1.35 -2.65 -0.54 0.00 0.00 174.62 172.61 3if9 n PRO 189 N -0.85 0.07 -0.64 3.99 -0.02 -1.26 -1.77 135.00 134.53 3if9 n PRO 189 Ca -0.05 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3if9 n PRO 189 Cb 0.64 -1.72 0.34 0.00 -0.02 0.00 0.00 33.50 32.74 3if9 n PRO 189 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3if9 n SER 190 N -1.87 4.77 0.00 2.55 7.64 -1.26 -5.07 113.62 120.39 3if9 n SER 190 Ca -0.00 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.21 3if9 n SER 190 Cb 0.04 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3if9 n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3if9 n GLY 191 N 0.63 0.52 3.92 0.23 0.00 -0.73 -5.07 105.19 104.69 3if9 n GLY 191 Ca 0.25 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 3if9 n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3if9 s ASP 192 N -0.64 6.16 -0.01 1.61 1.01 -1.26 -2.63 116.67 120.91 3if9 s ASP 192 Ca 0.00 0.77 -0.01 0.00 0.71 0.00 0.00 52.55 54.02 3if9 s ASP 192 Cb 0.00 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.84 3if9 s ASP 192 CO 0.00 -0.59 0.03 -0.69 0.21 0.00 0.00 175.17 174.14 3if9 s VAL 193 N -2.68 -0.01 0.07 -1.27 1.01 -0.41 -4.89 120.40 112.23 3if9 s VAL 193 Ca 0.47 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 3if9 s VAL 193 Cb -0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.16 3if9 s VAL 193 CO 0.43 0.02 0.37 0.26 0.00 0.00 0.00 175.10 176.17 3if9 s TRP 194 N 0.21 3.57 -0.04 5.22 0.52 0.20 -0.52 118.94 128.09 3if9 s TRP 194 Ca -0.02 0.71 -0.09 0.00 0.02 0.00 0.00 56.10 56.72 3if9 s TRP 194 Cb -0.02 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3if9 s TRP 194 CO -0.01 0.53 0.22 0.00 0.02 0.00 0.00 176.95 177.71 3if9 s ALA 195 N -1.41 -0.55 0.07 0.98 0.00 0.35 -1.58 121.76 119.62 3if9 s ALA 195 Ca 0.33 0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.73 3if9 s ALA 195 Cb -0.14 -0.11 0.19 0.00 0.00 0.00 0.00 23.12 23.06 3if9 s ALA 195 CO 0.19 -0.18 1.50 -0.91 0.00 0.00 0.00 175.76 176.35 3if9 h ASN 196 N 4.81 0.00 -4.33 0.00 2.35 -1.46 -2.18 115.58 114.78 3if9 h ASN 196 Ca -0.28 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.29 3if9 h ASN 196 Cb 1.19 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.32 3if9 h ASN 196 CO 0.38 0.63 -0.57 -1.00 -1.65 0.00 0.00 177.43 175.22 3if9 s HIS 197 N -3.15 -0.02 -0.08 1.19 3.76 -0.84 -4.74 115.29 111.41 3if9 s HIS 197 Ca 0.01 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.99 3if9 s HIS 197 Cb 0.10 -0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.79 3if9 s HIS 197 CO 0.75 -0.15 -0.11 0.08 -0.85 0.00 0.00 174.74 174.46 3if9 s VAL 198 N -0.61 1.12 -0.19 -0.90 1.01 -0.02 -0.96 120.40 119.85 3if9 s VAL 198 Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3if9 s VAL 198 Cb -0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3if9 s VAL 198 CO 0.00 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3if9 s VAL 199 N 0.99 3.81 -0.36 2.92 1.01 0.93 -0.23 120.40 129.48 3if9 s VAL 199 Ca -0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 3if9 s VAL 199 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3if9 s VAL 199 CO -0.00 0.44 0.57 -0.69 0.00 0.00 0.00 175.10 175.42 3if9 s VAL 200 N 0.94 4.95 -0.44 2.92 1.01 0.36 0.30 120.40 130.44 3if9 s VAL 200 Ca 0.01 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.51 3if9 s VAL 200 Cb -0.14 -4.03 0.30 0.00 0.00 0.00 0.00 36.38 32.51 3if9 s VAL 200 CO 0.01 -0.28 0.70 0.00 0.00 0.00 0.00 175.10 175.53 3if9 n ALA 201 N 5.90 2.80 -1.12 5.51 0.00 0.20 -1.26 120.51 132.54 3if9 n ALA 201 Ca -0.03 -3.76 0.03 0.00 0.00 0.00 0.00 53.44 49.68 3if9 n ALA 201 Cb 0.49 -0.86 0.25 0.00 0.00 0.00 0.00 19.45 19.33 3if9 n ALA 201 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3if9 n SER 202 N 0.64 3.61 0.00 0.00 7.64 -1.19 -4.02 113.62 120.31 3if9 n SER 202 Ca 0.25 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.89 3if9 n SER 202 Cb 0.55 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3if9 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3if9 n GLY 203 N -0.65 2.93 0.24 0.23 0.00 -1.26 -1.81 105.19 104.87 3if9 n GLY 203 Ca 0.27 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.37 3if9 n GLY 203 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3if9 h VAL 204 N 0.00 0.00 -0.20 1.61 3.04 -1.91 -2.08 116.25 116.70 3if9 h VAL 204 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3if9 h VAL 204 Cb 0.00 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3if9 h VAL 204 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.35 3if9 n TRP 205 N -2.82 0.27 0.41 3.17 8.01 -0.75 -4.44 117.44 121.28 3if9 n TRP 205 Ca 0.00 -0.13 0.12 0.00 -1.31 0.00 0.00 57.50 56.18 3if9 n TRP 205 Cb 0.24 0.00 0.48 0.00 -2.01 0.00 0.00 31.31 30.03 3if9 n TRP 205 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3if9 n SER 206 N 0.17 0.64 -0.26 -0.99 7.64 -0.78 -3.52 113.62 116.51 3if9 n SER 206 Ca 0.12 0.66 0.03 0.00 1.01 0.00 0.00 58.87 60.68 3if9 n SER 206 Cb 0.24 -0.79 0.25 0.00 -1.01 0.00 0.00 64.21 62.90 3if9 n SER 206 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3if9 h GLY 207 N 2.32 1.19 -0.15 0.23 0.00 -1.82 -2.15 103.07 102.68 3if9 h GLY 207 Ca 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 47.33 47.11 3if9 h GLY 207 CO 0.00 0.33 0.20 1.98 0.00 0.00 0.00 176.54 179.05 3if9 h MET 208 N 1.01 0.26 0.12 4.80 -1.53 -1.91 -0.30 114.93 117.37 3if9 h MET 208 Ca 0.34 -0.02 -0.28 0.00 -3.44 0.00 0.00 59.70 56.31 3if9 h MET 208 Cb 0.09 -0.06 0.03 0.00 -0.55 0.00 0.00 31.60 31.11 3if9 h MET 208 CO -0.11 0.17 -1.15 0.74 0.14 0.00 0.00 176.91 176.70 3if9 h PHE 209 N 0.27 0.92 -0.40 1.39 -1.00 -1.65 -0.80 116.94 115.67 3if9 h PHE 209 Ca 0.45 -0.59 0.08 0.00 2.81 0.00 0.00 57.97 60.72 3if9 h PHE 209 Cb 0.79 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 40.20 3if9 h PHE 209 CO -0.26 1.44 -0.13 0.74 -1.61 0.00 0.00 178.31 178.49 3if9 h PHE 210 N 0.15 -0.30 -0.45 -0.55 -1.00 -1.20 -1.64 116.94 111.95 3if9 h PHE 210 Ca -0.18 0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.51 3if9 h PHE 210 Cb 1.85 0.19 -0.01 0.00 3.61 0.00 0.00 35.95 41.59 3if9 h PHE 210 CO 0.13 -0.21 -0.23 -0.22 -1.61 0.00 0.00 178.31 176.17 3if9 h LYS 211 N -0.04 0.93 -0.11 1.51 3.64 -0.88 0.41 116.57 122.02 3if9 h LYS 211 Ca 0.20 -0.40 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3if9 h LYS 211 Cb 0.34 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3if9 h LYS 211 CO -0.44 1.06 0.13 1.96 -2.27 0.00 0.00 179.45 179.89 3if9 h GLN 212 N 0.80 0.00 -0.46 1.90 4.20 -0.76 -2.39 115.11 118.39 3if9 h GLN 212 Ca 0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3if9 h GLN 212 Cb 0.80 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 3if9 h GLN 212 CO 0.07 0.00 0.07 1.28 -0.67 0.00 0.00 178.83 179.58 3if9 n LEU 213 N -3.83 4.84 -1.15 1.46 4.77 -0.65 -4.94 117.00 117.50 3if9 n LEU 213 Ca -0.00 -3.17 -0.09 0.00 -0.03 0.00 0.00 56.01 52.72 3if9 n LEU 213 Cb 0.23 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3if9 n LEU 213 CO 0.28 0.78 -0.06 0.61 -1.33 0.00 0.00 177.39 177.67 3if9 n GLY 214 N -0.33 0.09 3.14 -0.72 0.00 -0.90 -5.02 105.19 101.46 3if9 n GLY 214 Ca 0.30 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3if9 n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3if9 s LEU 215 N -2.69 2.19 -0.04 0.99 1.43 0.06 -5.01 118.68 115.62 3if9 s LEU 215 Ca 0.05 -0.48 0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3if9 s LEU 215 Cb -0.02 -0.57 0.55 0.00 0.03 0.00 0.00 46.19 46.17 3if9 s LEU 215 CO 0.07 0.01 1.46 0.59 0.23 0.00 0.00 176.35 178.71 3if9 n ASN 216 N 1.80 3.82 -4.67 2.29 3.02 -1.26 -2.77 115.26 117.49 3if9 n ASN 216 Ca -0.19 -2.17 -0.45 0.00 -0.03 0.00 0.00 54.58 51.75 3if9 n ASN 216 Cb 0.55 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3if9 n ASN 216 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3if9 n ASN 217 N 1.04 3.87 -4.84 6.41 5.03 -1.26 -4.97 115.26 120.54 3if9 n ASN 217 Ca 0.21 0.93 -0.27 0.00 0.87 0.00 0.00 54.58 56.32 3if9 n ASN 217 Cb 0.64 -1.46 -0.05 0.00 -1.02 0.00 0.00 39.78 37.89 3if9 n ASN 217 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3if9 s ALA 218 N 4.24 3.69 -0.04 5.41 0.00 -1.26 -4.65 121.76 129.16 3if9 s ALA 218 Ca 0.90 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.78 3if9 s ALA 218 Cb -0.54 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3if9 s ALA 218 CO 0.46 0.53 -0.21 -0.06 0.00 0.00 0.00 175.76 176.48 3if9 s PHE 219 N -1.72 2.03 -0.22 0.00 0.40 -1.26 -4.58 117.98 112.63 3if9 s PHE 219 Ca 0.32 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3if9 s PHE 219 Cb -0.11 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 3if9 s PHE 219 CO 0.25 -0.15 -0.05 -1.17 0.70 0.00 0.00 175.22 174.80 3if9 s LEU 220 N -0.17 2.85 0.27 -0.37 2.96 -0.69 -4.93 118.68 118.59 3if9 s LEU 220 Ca -0.01 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 3if9 s LEU 220 Cb -0.12 -1.72 -0.10 0.00 0.50 0.00 0.00 46.19 44.76 3if9 s LEU 220 CO 0.02 -0.02 1.30 -2.16 -1.32 0.00 0.00 176.35 174.17 3if9 s PRO 221 N 1.47 4.39 -0.29 0.98 0.04 -1.26 -0.44 135.00 139.89 3if9 s PRO 221 Ca 0.06 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.25 3if9 s PRO 221 Cb -0.14 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.34 3if9 s PRO 221 CO -0.04 -0.19 -0.04 0.08 0.04 0.00 0.00 177.00 176.85 3if9 s VAL 222 N -0.56 2.07 0.30 -0.36 1.01 -0.46 -0.32 120.40 122.08 3if9 s VAL 222 Ca 0.52 -1.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 3if9 s VAL 222 Cb -0.38 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 3if9 s VAL 222 CO 0.45 -0.26 1.19 -0.75 0.00 0.00 0.00 175.10 175.72 3if9 s LYS 223 N 1.09 4.52 -0.09 2.72 2.20 -0.31 -0.54 119.74 129.33 3if9 s LYS 223 Ca -0.01 1.97 0.01 0.00 -0.36 0.00 0.00 55.97 57.59 3if9 s LYS 223 Cb -0.19 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3if9 s LYS 223 CO -0.07 0.04 -0.11 0.20 -0.36 0.00 0.00 175.35 175.05 3if9 s GLY 224 N -0.69 0.84 -0.15 5.54 0.00 0.40 -1.27 107.32 111.99 3if9 s GLY 224 Ca 0.46 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 3if9 s GLY 224 CO 0.46 0.38 0.00 -0.54 0.00 0.00 0.00 173.10 173.40 3if9 s GLU 225 N 1.08 3.65 0.21 2.90 2.02 -1.26 -1.05 118.70 126.25 3if9 s GLU 225 Ca -0.06 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.51 3if9 s GLU 225 Cb -0.14 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 3if9 s GLU 225 CO -0.01 0.34 0.00 0.00 0.02 0.00 0.00 175.26 175.61 3if9 s LEU 227 N -3.26 1.52 0.09 0.00 0.05 -0.77 -0.07 118.68 116.24 3if9 s LEU 227 Ca 0.27 -0.96 0.07 0.00 0.05 0.00 0.00 54.13 53.57 3if9 s LEU 227 Cb 0.06 0.74 -0.03 0.00 -2.05 0.00 0.00 46.19 44.90 3if9 s LEU 227 CO 0.07 -0.77 -0.19 -0.94 -0.55 0.00 0.00 176.35 173.97 3if9 s SER 228 N -2.97 2.26 0.46 1.48 1.04 0.47 -0.45 113.70 115.98 3if9 s SER 228 Ca 0.16 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.99 3if9 s SER 228 Cb 0.06 -0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 3if9 s SER 228 CO -0.03 0.03 0.01 0.68 0.98 0.00 0.00 173.24 174.91 3if9 s VAL 229 N -1.14 1.60 -0.25 5.02 -7.23 -0.75 -0.58 120.40 117.08 3if9 s VAL 229 Ca 0.04 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.12 3if9 s VAL 229 Cb -0.10 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3if9 s VAL 229 CO 0.03 0.00 0.13 0.26 -0.31 0.00 0.00 175.10 175.21 3if9 s TRP 230 N -2.79 3.21 -0.90 2.82 0.52 -0.43 -1.79 118.94 119.58 3if9 s TRP 230 Ca 0.21 -0.01 -0.15 0.00 0.02 0.00 0.00 56.10 56.17 3if9 s TRP 230 Cb 0.06 -2.27 0.20 0.00 -1.15 0.00 0.00 33.47 30.30 3if9 s TRP 230 CO 0.11 -0.12 0.94 1.21 0.02 0.00 0.00 176.95 179.11 3if9 s ASN 231 N 1.36 6.79 0.00 2.95 2.47 0.31 -3.97 114.94 124.84 3if9 s ASN 231 Ca 0.06 -2.59 0.25 0.00 0.42 0.00 0.00 52.86 51.00 3if9 s ASN 231 Cb -0.15 -2.28 0.41 0.00 -1.45 0.00 0.00 41.25 37.78 3if9 s ASN 231 CO 0.06 -0.71 1.36 0.47 -3.72 0.00 0.00 177.10 174.56 3if9 n ASP 232 N 4.73 1.87 0.00 -4.21 8.00 -1.26 -4.66 116.55 121.03 3if9 n ASP 232 Ca 0.19 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3if9 n ASP 232 Cb 0.47 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3if9 n ASP 232 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if9 n ASP 233 N 0.12 4.62 -4.39 -2.24 10.43 -1.26 -5.07 116.55 118.77 3if9 n ASP 233 Ca 0.13 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.17 3if9 n ASP 233 Cb 0.45 0.54 -0.15 0.00 1.84 0.00 0.00 41.12 43.80 3if9 n ASP 233 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3if9 s ILE 234 N -1.91 2.55 0.12 0.53 1.09 -1.26 -5.10 121.20 117.21 3if9 s ILE 234 Ca 0.00 -0.92 -0.30 0.00 -1.10 0.00 0.00 60.65 58.33 3if9 s ILE 234 Cb 0.00 -1.95 -0.07 0.00 -1.06 0.00 0.00 42.46 39.38 3if9 s ILE 234 CO 0.00 0.58 1.19 -2.16 -0.10 0.00 0.00 174.94 174.46 3if9 s PRO 235 N -0.64 4.47 -0.25 2.79 0.04 -1.26 -5.02 135.00 135.12 3if9 s PRO 235 Ca 0.10 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 3if9 s PRO 235 Cb -0.10 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.28 3if9 s PRO 235 CO -0.00 -0.16 0.46 -1.17 0.04 0.00 0.00 177.00 176.17 3if9 s LEU 236 N 0.42 -0.85 -0.15 -3.56 2.96 -1.26 -4.83 118.68 111.41 3if9 s LEU 236 Ca 0.56 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 3if9 s LEU 236 Cb -0.31 1.51 -0.10 0.00 0.50 0.00 0.00 46.19 47.79 3if9 s LEU 236 CO 0.33 -0.27 -0.13 0.41 -1.32 0.00 0.00 176.35 175.37 3if9 n THR 237 N 5.39 0.86 -3.21 3.68 -1.04 -1.26 -4.83 114.28 113.87 3if9 n THR 237 Ca -0.05 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.05 61.24 3if9 n THR 237 Cb 0.50 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 67.93 3if9 n THR 237 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3if9 s LYS 238 N -2.30 4.27 0.16 -2.82 1.02 -1.26 -4.50 119.74 114.31 3if9 s LYS 238 Ca -0.20 0.82 -0.31 0.00 0.02 0.00 0.00 55.97 56.31 3if9 s LYS 238 Cb 0.05 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 3if9 s LYS 238 CO 0.35 0.60 1.39 0.99 -0.92 0.00 0.00 175.35 177.77 3if9 s THR 239 N -1.16 3.14 -0.14 2.17 2.01 0.02 -4.74 115.64 116.94 3if9 s THR 239 Ca 0.32 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 3if9 s THR 239 Cb -0.20 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 3if9 s THR 239 CO 0.21 0.09 0.21 -0.76 -0.69 0.00 0.00 174.62 173.68 3if9 s LEU 240 N 0.63 4.30 -0.02 4.42 1.43 -0.87 -0.34 118.68 128.24 3if9 s LEU 240 Ca 0.63 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 3if9 s LEU 240 Cb -0.38 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3if9 s LEU 240 CO 0.34 0.24 -0.04 -0.47 0.23 0.00 0.00 176.35 176.65 3if9 s TYR 241 N -0.19 0.44 -0.27 0.29 5.04 -0.27 -1.77 117.35 120.63 3if9 s TYR 241 Ca 0.14 -0.08 -0.13 0.00 -2.44 0.00 0.00 57.07 54.56 3if9 s TYR 241 Cb -0.13 -0.36 0.09 0.00 0.35 0.00 0.00 41.96 41.92 3if9 s TYR 241 CO 0.03 -0.06 0.63 -1.58 -1.34 0.00 0.00 175.55 173.23 3if9 s HIS 242 N 0.30 -1.08 -1.31 4.97 2.46 -0.31 -0.27 115.29 120.05 3if9 s HIS 242 Ca -0.03 2.06 -0.08 0.00 0.47 0.00 0.00 55.06 57.49 3if9 s HIS 242 Cb -0.06 0.62 -0.00 0.00 -0.13 0.00 0.00 32.58 33.01 3if9 s HIS 242 CO -0.00 -0.54 0.55 -3.47 -2.47 0.00 0.00 174.74 168.80 3if9 n ASP 243 N 4.67 -1.96 0.00 9.88 2.03 -1.26 -0.47 116.55 129.44 3if9 n ASP 243 Ca -0.18 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.12 3if9 n ASP 243 Cb 0.55 -3.15 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 3if9 n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3if9 n ALA 244 N -4.36 0.00 -2.85 -1.67 0.00 -1.26 -4.99 120.51 105.38 3if9 n ALA 244 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 3if9 n ALA 244 Cb 0.65 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 3if9 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if9 s TYR 246 N -1.88 -0.48 -0.19 0.00 -0.85 0.22 -1.16 117.35 113.01 3if9 s TYR 246 Ca 0.32 0.77 -0.00 0.00 -0.52 0.00 0.00 57.07 57.64 3if9 s TYR 246 Cb -0.10 0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.59 3if9 s TYR 246 CO 0.25 -0.55 -0.06 0.42 -1.52 0.00 0.00 175.55 174.10 3if9 s ILE 247 N -1.40 1.31 -0.25 -3.49 1.01 -0.73 -1.49 121.20 116.16 3if9 s ILE 247 Ca -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3if9 s ILE 247 Cb -0.02 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3if9 s ILE 247 CO 0.07 0.06 -0.05 -0.69 0.00 0.00 0.00 174.94 174.32 3if9 s VAL 248 N 1.53 2.96 -0.21 2.92 1.01 0.47 -2.06 120.40 127.03 3if9 s VAL 248 Ca -0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3if9 s VAL 248 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3if9 s VAL 248 CO -0.07 0.22 1.08 -2.16 0.00 0.00 0.00 175.10 174.17 3if9 s PRO 249 N 1.35 4.27 0.48 2.72 0.04 -1.26 -0.34 135.00 142.26 3if9 s PRO 249 Ca 0.01 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 3if9 s PRO 249 Cb -0.16 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3if9 s PRO 249 CO -0.04 -0.62 0.72 1.03 0.04 0.00 0.00 177.00 178.13 3if9 s ARG 250 N 3.16 2.99 0.00 4.56 0.52 0.18 -4.97 118.95 125.39 3if9 s ARG 250 Ca 0.46 -0.43 0.20 0.00 -0.52 0.00 0.00 55.73 55.44 3if9 s ARG 250 Cb -0.17 -2.50 1.11 0.00 0.52 0.00 0.00 34.95 33.92 3if9 s ARG 250 CO 0.09 -0.39 1.59 1.63 0.02 0.00 0.00 175.30 178.24 3if9 n LYS 251 N -2.19 0.49 0.00 3.54 5.02 -1.26 -2.33 118.16 121.43 3if9 n LYS 251 Ca 0.03 0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 3if9 n LYS 251 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3if9 n LYS 251 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3if9 n SER 252 N -1.11 1.49 0.00 4.39 3.41 -1.26 -4.96 113.62 115.58 3if9 n SER 252 Ca 0.13 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3if9 n SER 252 Cb 0.10 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3if9 n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3if9 n GLY 253 N 1.45 0.98 3.80 5.00 0.00 -0.98 -5.02 105.19 110.42 3if9 n GLY 253 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3if9 n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3if9 s ARG 254 N -0.49 3.68 -0.11 1.61 0.52 -1.26 -0.53 118.95 122.37 3if9 s ARG 254 Ca 0.00 1.33 -0.00 0.00 -0.52 0.00 0.00 55.73 56.54 3if9 s ARG 254 Cb 0.00 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 3if9 s ARG 254 CO 0.00 -0.53 -0.10 -0.51 0.02 0.00 0.00 175.30 174.19 3if9 s LEU 255 N -3.73 2.96 -0.20 2.53 1.43 -0.74 -0.64 118.68 120.29 3if9 s LEU 255 Ca 0.66 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 3if9 s LEU 255 Cb -0.16 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3if9 s LEU 255 CO 0.24 0.25 0.27 -0.69 0.23 0.00 0.00 176.35 176.65 3if9 s VAL 256 N -0.12 5.30 -0.09 -1.59 1.01 0.54 -1.80 120.40 123.64 3if9 s VAL 256 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3if9 s VAL 256 Cb -0.13 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3if9 s VAL 256 CO 0.03 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 3if9 s VAL 257 N 0.88 1.57 0.24 2.92 1.01 0.40 -0.39 120.40 127.04 3if9 s VAL 257 Ca 0.14 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 3if9 s VAL 257 Cb -0.13 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.90 3if9 s VAL 257 CO 0.05 0.45 0.92 -0.83 0.00 0.00 0.00 175.10 175.69 3if9 s GLY 258 N 0.67 0.08 0.10 4.51 0.00 -0.56 -1.85 107.32 110.27 3if9 s GLY 258 Ca -0.13 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.04 3if9 s GLY 258 CO 0.03 0.86 0.52 0.00 0.00 0.00 0.00 173.10 174.52 3if9 s ALA 259 N -2.64 -1.34 0.80 3.20 0.00 -1.26 0.70 121.76 121.22 3if9 s ALA 259 Ca 0.17 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 3if9 s ALA 259 Cb -0.03 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.75 3if9 s ALA 259 CO 0.06 -0.61 1.09 0.95 0.00 0.00 0.00 175.76 177.25 3if9 s THR 260 N -3.10 3.22 -0.21 0.00 -4.23 -1.19 -4.81 115.64 105.32 3if9 s THR 260 Ca -0.02 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3if9 s THR 260 Cb -0.00 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.92 3if9 s THR 260 CO -0.07 -0.52 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.40 3if9 s MET 261 N -4.98 1.57 -0.42 3.99 -1.94 -1.25 -4.13 119.30 112.14 3if9 s MET 261 Ca 0.61 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.81 3if9 s MET 261 Cb -0.16 -2.38 0.13 0.00 2.01 0.00 0.00 34.83 34.43 3if9 s MET 261 CO 0.56 -0.53 0.22 0.15 -0.01 0.00 0.00 175.02 175.41 3if9 s LYS 262 N 1.49 1.15 0.20 2.03 1.02 -0.39 -4.94 119.74 120.29 3if9 s LYS 262 Ca -0.03 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.82 3if9 s LYS 262 Cb -0.17 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 3if9 s LYS 262 CO -0.07 -1.15 1.12 -1.25 -0.92 0.00 0.00 175.35 173.08 3if9 s PRO 263 N 0.55 4.58 0.00 -1.68 0.04 -1.26 -1.16 135.00 136.07 3if9 s PRO 263 Ca 0.17 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3if9 s PRO 263 Cb -0.24 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3if9 s PRO 263 CO -0.01 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3if9 n GLY 264 N 1.91 1.11 3.56 0.56 0.00 0.57 -4.97 105.19 107.93 3if9 n GLY 264 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3if9 n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3if9 s ASP 265 N -3.08 6.22 0.00 1.61 -1.08 -1.16 -4.93 116.67 114.26 3if9 s ASP 265 Ca 0.00 -0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.21 3if9 s ASP 265 Cb 0.00 -2.21 0.56 0.00 -1.46 0.00 0.00 42.92 39.81 3if9 s ASP 265 CO 0.00 -0.33 1.46 0.79 0.52 0.00 0.00 175.17 177.61 3if9 n TRP 266 N 5.45 0.00 -2.51 -5.34 7.02 -1.26 -3.93 117.44 116.87 3if9 n TRP 266 Ca -0.08 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.03 3if9 n TRP 266 Cb 0.50 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.34 3if9 n TRP 266 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3if9 s SER 267 N -2.09 6.83 -0.09 -0.99 1.04 -1.26 -4.98 113.70 112.15 3if9 s SER 267 Ca 0.31 2.10 0.14 0.00 0.48 0.00 0.00 55.95 58.98 3if9 s SER 267 Cb 0.20 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 64.16 3if9 s SER 267 CO 0.36 -0.45 1.35 -0.62 0.98 0.00 0.00 173.24 174.87 3if9 n GLU 268 N 0.17 2.96 -4.68 4.02 1.02 -1.26 -4.79 120.64 118.07 3if9 n GLU 268 Ca 0.04 -2.45 -0.27 0.00 -0.02 0.00 0.00 57.16 54.46 3if9 n GLU 268 Cb 0.48 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 3if9 n GLU 268 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3if9 s THR 269 N -1.87 1.80 0.42 2.62 2.01 -1.26 -4.01 115.64 115.34 3if9 s THR 269 Ca 0.33 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 3if9 s THR 269 Cb 0.23 -1.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 3if9 s THR 269 CO 0.13 0.23 1.41 -2.84 -0.69 0.00 0.00 174.62 172.86 3if9 s PRO 270 N -1.25 3.88 0.47 4.92 0.02 -1.26 -4.89 135.00 136.90 3if9 s PRO 270 Ca 0.09 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.54 3if9 s PRO 270 Cb -0.09 -2.78 0.02 0.00 0.02 0.00 0.00 34.50 31.67 3if9 s PRO 270 CO 0.02 -0.65 0.66 0.16 -0.33 0.00 0.00 177.00 176.86 3if9 s ASP 271 N -0.46 5.53 0.19 2.53 1.47 -1.26 -5.00 116.67 119.67 3if9 s ASP 271 Ca 0.57 -0.17 -0.12 0.00 1.18 0.00 0.00 52.55 54.02 3if9 s ASP 271 Cb -0.43 -0.87 0.12 0.00 -0.34 0.00 0.00 42.92 41.40 3if9 s ASP 271 CO 0.56 -0.89 1.86 0.25 0.68 0.00 0.00 175.17 177.62 3if9 h LEU 272 N 0.40 0.72 -0.56 2.11 6.46 -2.00 -2.68 115.31 119.75 3if9 h LEU 272 Ca -0.42 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.27 3if9 h LEU 272 Cb 1.28 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3if9 h LEU 272 CO 0.50 0.52 0.13 1.23 -0.62 0.00 0.00 178.44 180.20 3if9 h GLY 273 N 0.85 0.97 0.24 3.75 0.00 -1.99 -1.42 103.07 105.47 3if9 h GLY 273 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3if9 h GLY 273 CO -0.06 0.57 -0.44 -1.33 0.00 0.00 0.00 176.54 175.28 3if9 h GLY 274 N 0.80 -1.18 0.57 4.60 0.00 -1.92 -1.59 103.07 104.36 3if9 h GLY 274 Ca 0.18 0.60 0.09 0.00 0.00 0.00 0.00 47.33 48.19 3if9 h GLY 274 CO 0.00 -0.32 0.51 1.41 0.00 0.00 0.00 176.54 178.14 3if9 h LEU 275 N -0.73 0.76 -0.80 3.11 3.38 -1.42 -1.54 115.31 118.07 3if9 h LEU 275 Ca -0.03 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3if9 h LEU 275 Cb 0.68 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3if9 h LEU 275 CO -0.17 0.44 0.44 -0.08 0.09 0.00 0.00 178.44 179.17 3if9 h GLU 276 N 0.87 0.71 0.00 1.13 4.81 -1.02 -0.29 114.58 120.81 3if9 h GLU 276 Ca 0.41 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 3if9 h GLU 276 Cb 0.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3if9 h GLU 276 CO -0.23 0.47 -0.87 0.66 -0.73 0.00 0.00 179.01 178.31 3if9 h SER 277 N 0.73 0.05 -0.54 1.04 4.64 -0.34 -1.29 113.55 117.85 3if9 h SER 277 Ca 0.39 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.60 3if9 h SER 277 Cb 0.38 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3if9 h SER 277 CO -0.26 0.89 0.07 0.58 -0.87 0.00 0.00 176.83 177.25 3if9 h VAL 278 N 0.02 1.26 -0.36 0.95 2.07 -0.92 -1.84 116.25 117.41 3if9 h VAL 278 Ca -0.02 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 3if9 h VAL 278 Cb 1.53 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3if9 h VAL 278 CO 0.12 0.35 -0.04 0.24 0.02 0.00 0.00 177.57 178.26 3if9 h MET 279 N 0.78 0.67 0.02 1.57 2.07 -0.82 -1.86 114.93 117.36 3if9 h MET 279 Ca 0.16 -0.23 0.01 0.00 -2.07 0.00 0.00 59.70 57.56 3if9 h MET 279 Cb 0.43 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 3if9 h MET 279 CO 0.01 0.80 -0.04 -0.22 1.07 0.00 0.00 176.91 178.53 3if9 h LYS 280 N 0.47 -0.09 -0.56 1.72 3.64 -1.20 -2.82 116.57 117.74 3if9 h LYS 280 Ca 0.10 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3if9 h LYS 280 Cb 0.53 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3if9 h LYS 280 CO 0.03 -0.06 0.31 -0.22 -2.27 0.00 0.00 179.45 177.24 3if9 h LYS 281 N -0.09 0.57 -0.87 1.90 1.63 -1.34 -3.08 116.57 115.29 3if9 h LYS 281 Ca 0.01 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3if9 h LYS 281 Cb 0.10 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3if9 h LYS 281 CO -0.03 0.38 0.58 0.00 -3.45 0.00 0.00 179.45 176.93 3if9 h ALA 282 N 1.29 1.39 -0.38 5.00 0.00 -1.19 -2.84 119.26 122.52 3if9 h ALA 282 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3if9 h ALA 282 Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3if9 h ALA 282 CO -0.15 0.56 -0.06 0.87 0.00 0.00 0.00 179.25 180.48 3if9 h LYS 283 N 1.17 0.62 0.00 0.00 1.57 -1.41 0.14 116.57 118.66 3if9 h LYS 283 Ca 0.32 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3if9 h LYS 283 Cb -0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3if9 h LYS 283 CO -0.07 0.69 -0.11 1.79 -0.57 0.00 0.00 179.45 181.17 3if9 h THR 284 N 0.58 0.62 0.10 -0.16 1.35 -1.51 -2.50 112.91 111.39 3if9 h THR 284 Ca 0.11 -0.49 -0.36 0.00 -0.55 0.00 0.00 66.41 65.12 3if9 h THR 284 Cb 0.45 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3if9 h THR 284 CO 0.02 0.11 -2.05 0.23 -0.25 0.00 0.00 175.52 173.58 3if9 n MET 285 N -3.73 0.74 -3.37 4.72 2.81 -0.72 -4.55 117.12 113.02 3if9 n MET 285 Ca -0.02 0.25 -0.25 0.00 -1.81 0.00 0.00 57.70 55.87 3if9 n MET 285 Cb 0.22 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 30.95 3if9 n MET 285 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3if9 s LEU 286 N -6.91 0.81 0.29 4.03 0.20 -0.04 -1.02 118.68 116.03 3if9 s LEU 286 Ca -0.23 -2.41 0.03 0.00 0.69 0.00 0.00 54.13 52.21 3if9 s LEU 286 Cb 0.07 -0.10 0.70 0.00 -0.43 0.00 0.00 46.19 46.44 3if9 s LEU 286 CO 0.75 -0.23 1.68 -0.65 -0.29 0.00 0.00 176.35 177.61 3if9 h PRO 287 N 6.34 0.31 0.00 0.98 0.11 -1.61 -0.46 132.00 137.67 3if9 h PRO 287 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3if9 h PRO 287 Cb 0.97 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3if9 h PRO 287 CO 0.28 0.21 0.17 0.00 -0.21 0.00 0.00 178.00 178.44 3if9 h ALA 288 N 1.73 1.12 0.00 -0.75 0.00 -1.87 -2.47 119.26 117.01 3if9 h ALA 288 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3if9 h ALA 288 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3if9 h ALA 288 CO -0.57 -0.12 0.00 0.97 0.00 0.00 0.00 179.25 179.53 3if9 h ILE 289 N 0.00 0.00 0.00 0.00 2.10 -1.43 -2.63 117.51 115.55 3if9 h ILE 289 Ca 0.00 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 65.48 3if9 h ILE 289 Cb 0.34 1.43 -0.00 0.00 -1.09 0.00 0.00 36.82 37.50 3if9 h ILE 289 CO 0.00 0.00 -0.10 0.06 -1.08 0.00 0.00 178.15 177.03 3if9 h GLN 290 N 0.00 0.00 -0.10 2.19 3.07 -1.65 -2.29 115.11 116.32 3if9 h GLN 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3if9 h GLN 290 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3if9 h GLN 290 CO 0.00 0.10 0.00 0.09 0.09 0.00 0.00 178.83 179.11 3if9 n ASN 291 N -3.60 2.17 -4.81 0.06 3.02 -0.99 -4.95 115.26 106.16 3if9 n ASN 291 Ca -0.02 -1.74 -0.38 0.00 -0.03 0.00 0.00 54.58 52.42 3if9 n ASN 291 Cb 0.22 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 3if9 n ASN 291 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3if9 s MET 292 N -1.88 4.29 0.07 3.52 -1.94 -0.86 -5.02 119.30 117.47 3if9 s MET 292 Ca 0.34 0.87 -0.31 0.00 -1.71 0.00 0.00 55.69 54.88 3if9 s MET 292 Cb 0.20 -3.09 -0.06 0.00 2.01 0.00 0.00 34.83 33.89 3if9 s MET 292 CO 0.31 0.53 1.22 0.15 -0.01 0.00 0.00 175.02 177.21 3if9 s LYS 293 N -1.49 4.43 0.41 2.03 1.02 -1.25 -4.86 119.74 120.02 3if9 s LYS 293 Ca 0.36 1.81 -0.25 0.00 0.02 0.00 0.00 55.97 57.91 3if9 s LYS 293 Cb -0.19 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.71 3if9 s LYS 293 CO 0.22 -0.26 1.24 0.08 -0.92 0.00 0.00 175.35 175.71 3if9 s VAL 294 N 0.98 2.84 0.00 3.17 1.01 -1.26 -1.31 120.40 125.83 3if9 s VAL 294 Ca 0.59 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3if9 s VAL 294 Cb -0.30 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3if9 s VAL 294 CO 0.30 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 3if9 n ASP 295 N 0.01 0.00 -4.42 3.32 4.64 0.26 -4.84 116.55 115.52 3if9 n ASP 295 Ca 0.04 0.00 -0.21 0.00 -1.38 0.00 0.00 54.79 53.25 3if9 n ASP 295 Cb 0.45 -0.02 -0.10 0.00 -1.04 0.00 0.00 41.12 40.40 3if9 n ASP 295 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3if9 s ARG 296 N -0.20 1.54 0.01 -0.67 0.52 -1.21 -4.96 118.95 113.99 3if9 s ARG 296 Ca 0.00 -1.78 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 3if9 s ARG 296 Cb 0.00 -1.11 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 3if9 s ARG 296 CO 0.00 0.02 -0.07 -0.59 0.02 0.00 0.00 175.30 174.68 3if9 s PHE 297 N -3.05 0.59 0.25 -0.53 -0.71 -1.26 -0.40 117.98 112.87 3if9 s PHE 297 Ca 0.30 -0.25 -0.22 0.00 -1.04 0.00 0.00 56.93 55.72 3if9 s PHE 297 Cb 0.04 -0.37 0.04 0.00 -1.21 0.00 0.00 43.02 41.52 3if9 s PHE 297 CO 0.12 -0.03 0.82 1.67 -1.34 0.00 0.00 175.22 176.46 3if9 s TRP 298 N -0.59 -0.12 0.14 3.49 -2.14 0.91 -4.93 118.94 115.68 3if9 s TRP 298 Ca -0.02 -0.31 -0.03 0.00 2.66 0.00 0.00 56.10 58.40 3if9 s TRP 298 Cb -0.05 0.70 -0.03 0.00 -3.10 0.00 0.00 33.47 30.99 3if9 s TRP 298 CO 0.00 -1.13 0.12 0.00 -2.66 0.00 0.00 176.95 173.28 3if9 s ALA 299 N -3.45 0.61 0.10 2.67 0.00 -1.26 -0.06 121.76 120.38 3if9 s ALA 299 Ca 0.12 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 3if9 s ALA 299 Cb -0.04 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.00 3if9 s ALA 299 CO 0.06 -0.53 0.56 0.20 0.00 0.00 0.00 175.76 176.05 3if9 s GLY 300 N -3.02 -0.51 -0.42 0.00 0.00 -0.21 -4.71 107.32 98.44 3if9 s GLY 300 Ca 0.22 0.55 -0.15 0.00 0.00 0.00 0.00 44.72 45.34 3if9 s GLY 300 CO 0.01 0.23 0.31 1.08 0.00 0.00 0.00 173.10 174.74 3if9 s LEU 301 N -2.34 5.19 0.19 0.66 1.43 -1.26 -0.45 118.68 122.10 3if9 s LEU 301 Ca -0.02 -0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 51.79 3if9 s LEU 301 Cb -0.00 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 3if9 s LEU 301 CO -0.07 -0.48 1.46 -0.13 0.23 0.00 0.00 176.35 177.36 3if9 s ARG 302 N 1.67 4.27 -1.03 1.70 0.52 0.30 -4.76 118.95 121.62 3if9 s ARG 302 Ca 0.05 2.26 -0.22 0.00 -0.52 0.00 0.00 55.73 57.30 3if9 s ARG 302 Cb -0.20 -3.16 0.07 0.00 0.52 0.00 0.00 34.95 32.18 3if9 s ARG 302 CO 0.09 -0.46 1.43 -1.25 0.02 0.00 0.00 175.30 175.12 3if9 s PRO 303 N 0.37 3.64 0.50 3.54 0.04 -1.26 -1.36 135.00 140.47 3if9 s PRO 303 Ca 0.63 -1.32 -0.20 0.00 0.04 0.00 0.00 61.00 60.16 3if9 s PRO 303 Cb -0.41 -5.30 -0.08 0.00 0.04 0.00 0.00 34.50 28.75 3if9 s PRO 303 CO 0.37 -2.14 1.04 0.20 0.04 0.00 0.00 177.00 176.51 3if9 s GLY 304 N 4.67 2.45 0.27 0.56 0.00 0.42 -3.94 107.32 111.76 3if9 s GLY 304 Ca 0.45 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.79 3if9 s GLY 304 CO -0.08 0.89 -0.02 -0.51 0.00 0.00 0.00 173.10 173.38 3if9 s THR 305 N -2.05 1.39 0.28 0.90 -4.23 -1.26 -1.71 115.64 108.95 3if9 s THR 305 Ca 0.67 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 3if9 s THR 305 Cb -0.16 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.47 3if9 s THR 305 CO 0.23 -0.26 1.87 0.11 -0.54 0.00 0.00 174.62 176.03 3if9 h LYS 306 N 2.30 1.08 -0.02 3.99 1.57 -1.90 -2.65 116.57 120.94 3if9 h LYS 306 Ca -0.40 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3if9 h LYS 306 Cb 1.23 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3if9 h LYS 306 CO 0.67 0.71 -0.01 -0.40 -0.57 0.00 0.00 179.45 179.85 3if9 n ASP 307 N -4.53 2.55 0.00 0.86 3.85 -1.26 -4.99 116.55 113.03 3if9 n ASP 307 Ca 0.16 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.47 3if9 n ASP 307 Cb 0.24 0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 3if9 n ASP 307 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3if9 n GLY 308 N 1.07 0.80 3.67 6.12 0.00 -1.00 -5.06 105.19 110.80 3if9 n GLY 308 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3if9 n GLY 308 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if9 s LYS 309 N -0.19 2.42 1.04 1.61 1.02 -1.26 -4.70 119.74 119.68 3if9 s LYS 309 Ca 0.00 -1.14 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 3if9 s LYS 309 Cb 0.00 -2.34 0.21 0.00 -0.52 0.00 0.00 37.83 35.18 3if9 s LYS 309 CO 0.00 0.44 1.12 -1.25 -0.92 0.00 0.00 175.35 174.74 3if9 s PRO 310 N -3.09 0.06 -0.29 -1.68 0.04 -1.06 -4.71 135.00 124.27 3if9 s PRO 310 Ca 0.28 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 3if9 s PRO 310 Cb -0.09 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.76 3if9 s PRO 310 CO 0.19 -2.92 0.02 0.71 0.04 0.00 0.00 177.00 175.05 3if9 s TYR 311 N -3.09 3.16 -0.36 0.56 1.51 0.74 -4.63 117.35 115.24 3if9 s TYR 311 Ca 0.67 -1.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 3if9 s TYR 311 Cb -0.14 -2.16 0.11 0.00 -0.11 0.00 0.00 41.96 39.65 3if9 s TYR 311 CO 0.56 -0.69 0.14 0.42 -1.11 0.00 0.00 175.55 174.87 3if9 s ILE 312 N 1.38 1.12 -3.95 2.71 1.01 0.33 -1.49 121.20 122.32 3if9 s ILE 312 Ca -0.00 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 58.79 3if9 s ILE 312 Cb -0.18 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3if9 s ILE 312 CO -0.00 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.79 3if9 n GLY 313 N 4.35 -1.81 3.80 6.18 0.00 0.33 -4.53 105.19 113.51 3if9 n GLY 313 Ca 0.02 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 3if9 n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3if9 s ARG 314 N -1.74 3.67 0.12 1.61 0.52 -1.26 -0.78 118.95 121.09 3if9 s ARG 314 Ca 0.00 1.29 -0.31 0.00 -0.52 0.00 0.00 55.73 56.19 3if9 s ARG 314 Cb 0.00 -2.08 -0.11 0.00 0.52 0.00 0.00 34.95 33.28 3if9 s ARG 314 CO 0.00 -0.53 1.83 1.58 0.02 0.00 0.00 175.30 178.20 3if9 n HIS 315 N -1.30 2.62 0.16 -0.53 -0.00 0.12 -4.55 115.22 111.74 3if9 n HIS 315 Ca 0.09 -0.13 0.09 0.00 -0.00 0.00 0.00 57.72 57.77 3if9 n HIS 315 Cb 0.53 -2.73 0.49 0.00 -0.00 0.00 0.00 29.99 28.28 3if9 n HIS 315 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3if9 n PRO 316 N 5.55 0.12 -0.03 1.57 -0.04 -1.26 -1.44 135.00 139.47 3if9 n PRO 316 Ca 0.18 0.61 0.01 0.00 -0.04 0.00 0.00 63.50 64.26 3if9 n PRO 316 Cb 0.37 -1.99 0.03 0.00 -0.04 0.00 0.00 33.50 31.87 3if9 n PRO 316 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3if9 n GLU 317 N -2.16 2.18 -3.15 0.54 1.02 -1.26 -4.97 120.64 112.84 3if9 n GLU 317 Ca -0.01 -1.41 0.04 0.00 -0.02 0.00 0.00 57.16 55.76 3if9 n GLU 317 Cb 0.13 -1.06 -0.01 0.00 -0.02 0.00 0.00 31.44 30.49 3if9 n GLU 317 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3if9 s ASP 318 N -0.83 -1.33 0.29 1.62 -1.08 -0.52 -5.03 116.67 109.79 3if9 s ASP 318 Ca 0.05 0.50 0.21 0.00 -0.52 0.00 0.00 52.55 52.79 3if9 s ASP 318 Cb 0.03 1.98 1.06 0.00 -1.46 0.00 0.00 42.92 44.53 3if9 s ASP 318 CO 0.03 -0.25 1.65 -1.20 0.52 0.00 0.00 175.17 175.93 3if9 n SER 319 N 5.41 0.57 0.12 -0.34 7.64 -1.26 -2.11 113.62 123.65 3if9 n SER 319 Ca 0.01 0.72 0.12 0.00 1.01 0.00 0.00 58.87 60.74 3if9 n SER 319 Cb 0.53 -0.81 0.26 0.00 -1.01 0.00 0.00 64.21 63.18 3if9 n SER 319 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3if9 h ARG 320 N 0.00 0.00 -5.11 1.43 3.08 -1.92 -3.45 114.38 108.41 3if9 h ARG 320 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3if9 h ARG 320 Cb 0.13 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.91 3if9 h ARG 320 CO 0.00 0.00 -0.71 0.42 -1.07 0.00 0.00 179.97 178.61 3if9 s ILE 321 N -3.16 3.47 0.20 2.04 1.01 -0.89 -0.84 121.20 123.02 3if9 s ILE 321 Ca 0.08 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3if9 s ILE 321 Cb 0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3if9 s ILE 321 CO 0.66 0.45 -0.18 -0.76 0.00 0.00 0.00 174.94 175.11 3if9 s LEU 322 N 1.06 2.50 0.04 2.97 1.02 0.69 0.16 118.68 127.11 3if9 s LEU 322 Ca 0.01 -0.93 0.04 0.00 0.02 0.00 0.00 54.13 53.27 3if9 s LEU 322 Cb -0.15 -0.85 -0.02 0.00 0.02 0.00 0.00 46.19 45.19 3if9 s LEU 322 CO -0.00 -0.05 -0.13 -0.36 0.02 0.00 0.00 176.35 175.83 3if9 s PHE 323 N -2.35 1.10 -0.43 0.29 0.40 0.04 -0.48 117.98 116.54 3if9 s PHE 323 Ca 0.20 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 3if9 s PHE 323 Cb -0.04 -0.65 0.17 0.00 0.51 0.00 0.00 43.02 43.01 3if9 s PHE 323 CO 0.08 0.02 0.51 0.00 0.70 0.00 0.00 175.22 176.53 3if9 s ALA 324 N -0.93 -0.89 -0.08 5.36 0.00 -0.39 -0.51 121.76 124.31 3if9 s ALA 324 Ca -0.01 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3if9 s ALA 324 Cb -0.08 -2.27 0.07 0.00 0.00 0.00 0.00 23.12 20.84 3if9 s ALA 324 CO 0.01 -2.16 0.70 0.00 0.00 0.00 0.00 175.76 174.31 3if9 s ALA 325 N 1.10 -1.78 0.00 0.00 0.00 -0.56 -4.42 121.76 116.10 3if9 s ALA 325 Ca 0.23 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3if9 s ALA 325 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3if9 s ALA 325 CO -0.07 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3if9 n GLY 326 N 1.14 1.83 3.54 0.00 0.00 -1.26 -0.18 105.19 110.27 3if9 n GLY 326 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3if9 n GLY 326 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3if9 s HIS 327 N -2.00 2.48 0.00 1.61 3.76 -1.26 -2.55 115.29 117.34 3if9 s HIS 327 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 3if9 s HIS 327 Cb 0.00 -4.63 0.00 0.00 1.11 0.00 0.00 32.58 29.06 3if9 s HIS 327 CO 0.00 -1.95 0.16 0.34 -0.85 0.00 0.00 174.74 172.44 3if9 n PHE 328 N 8.86 0.00 -0.03 1.40 7.35 -1.25 -3.94 117.46 129.84 3if9 n PHE 328 Ca 0.20 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 57.01 3if9 n PHE 328 Cb 0.50 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.61 3if9 n PHE 328 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3if9 n ARG 329 N -0.20 2.59 -1.23 -4.13 1.74 -1.26 -4.32 116.66 109.85 3if9 n ARG 329 Ca 0.00 -2.45 0.02 0.00 -0.77 0.00 0.00 57.85 54.65 3if9 n ARG 329 Cb 0.00 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 3if9 n ARG 329 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3if9 n ASN 330 N 1.55 0.61 0.27 0.55 0.23 -1.26 -4.86 115.26 112.35 3if9 n ASN 330 Ca 0.22 -1.98 0.14 0.00 -0.53 0.00 0.00 54.58 52.43 3if9 n ASN 330 Cb 0.60 -0.23 0.78 0.00 -2.08 0.00 0.00 39.78 38.85 3if9 n ASN 330 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3if9 h GLY 331 N 0.69 0.00 0.03 4.83 0.00 -1.82 -1.87 103.07 104.93 3if9 h GLY 331 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3if9 h GLY 331 CO 0.05 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 174.37 3if9 h ILE 332 N 0.00 1.70 -0.76 2.60 1.08 -1.90 -2.47 117.51 117.75 3if9 h ILE 332 Ca -0.00 -2.23 0.16 0.00 -0.39 0.00 0.00 64.86 62.41 3if9 h ILE 332 Cb 0.29 3.19 -0.14 0.00 -3.07 0.00 0.00 36.82 37.09 3if9 h ILE 332 CO 0.01 0.57 -0.10 0.25 -0.69 0.00 0.00 178.15 178.19 3if9 h LEU 333 N -0.97 -0.54 -1.07 1.44 5.85 -1.75 -3.03 115.31 115.24 3if9 h LEU 333 Ca -0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3if9 h LEU 333 Cb 0.93 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3if9 h LEU 333 CO 0.00 -0.22 0.00 0.18 -0.34 0.00 0.00 178.44 178.06 3if9 n LEU 334 N -5.43 1.65 0.07 2.25 4.77 -0.71 -4.42 117.00 115.18 3if9 n LEU 334 Ca 0.12 -0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 3if9 n LEU 334 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3if9 n LEU 334 CO 0.01 0.28 0.85 0.00 -1.33 0.00 0.00 177.39 177.21 3if9 h ALA 335 N 4.35 -0.07 -0.40 -1.18 0.00 -1.31 0.12 119.26 120.76 3if9 h ALA 335 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3if9 h ALA 335 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3if9 h ALA 335 CO 0.00 -0.54 0.19 -1.35 0.00 0.00 0.00 179.25 177.55 3if9 h PRO 336 N -0.07 0.58 -0.57 0.00 0.11 -1.81 -0.02 132.00 130.22 3if9 h PRO 336 Ca -0.01 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3if9 h PRO 336 Cb 0.06 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3if9 h PRO 336 CO 0.01 0.52 0.17 0.00 -0.21 0.00 0.00 178.00 178.49 3if9 h ALA 337 N 1.04 1.23 -0.20 -0.75 0.00 -1.79 0.46 119.26 119.23 3if9 h ALA 337 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3if9 h ALA 337 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3if9 h ALA 337 CO -0.02 0.54 0.01 1.15 0.00 0.00 0.00 179.25 180.94 3if9 h THR 338 N 0.83 1.25 -0.74 0.00 2.02 -0.52 -0.82 112.91 114.94 3if9 h THR 338 Ca 0.19 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.56 3if9 h THR 338 Cb 0.26 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 3if9 h THR 338 CO -0.01 0.25 0.48 1.23 0.37 0.00 0.00 175.52 177.85 3if9 h GLY 339 N 0.13 1.05 0.95 2.16 0.00 -0.59 -1.22 103.07 105.54 3if9 h GLY 339 Ca 0.06 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3if9 h GLY 339 CO 0.01 0.34 -0.00 0.00 0.00 0.00 0.00 176.54 176.89 3if9 h ALA 340 N 1.29 0.53 0.05 3.60 0.00 -0.82 -2.41 119.26 121.50 3if9 h ALA 340 Ca 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3if9 h ALA 340 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3if9 h ALA 340 CO -0.08 0.31 -0.02 1.25 0.00 0.00 0.00 179.25 180.71 3if9 h LEU 341 N 0.53 -0.05 -0.23 0.00 5.85 -0.80 -1.07 115.31 119.53 3if9 h LEU 341 Ca 0.11 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3if9 h LEU 341 Cb 0.48 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3if9 h LEU 341 CO 0.02 0.09 -0.06 0.40 -0.34 0.00 0.00 178.44 178.55 3if9 h ILE 342 N -0.20 0.77 -0.43 4.05 1.08 -1.27 -0.58 117.51 120.93 3if9 h ILE 342 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3if9 h ILE 342 Cb 0.17 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 3if9 h ILE 342 CO 0.01 0.00 0.23 -1.28 -0.69 0.00 0.00 178.15 176.42 3if9 h SER 343 N -0.00 0.35 -0.66 1.72 0.87 -1.33 -1.75 113.55 112.74 3if9 h SER 343 Ca 0.11 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3if9 h SER 343 Cb 0.17 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3if9 h SER 343 CO -0.24 0.25 0.27 0.44 -0.53 0.00 0.00 176.83 177.02 3if9 h ASP 344 N 0.46 0.90 -0.57 6.23 3.32 -0.86 -1.18 116.42 124.71 3if9 h ASP 344 Ca 0.18 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3if9 h ASP 344 Cb 0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3if9 h ASP 344 CO -0.12 0.82 0.36 -0.07 -1.72 0.00 0.00 179.24 178.51 3if9 h LEU 345 N 0.93 0.69 -0.38 1.55 3.38 -0.79 -0.09 115.31 120.60 3if9 h LEU 345 Ca 0.22 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 3if9 h LEU 345 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3if9 h LEU 345 CO -0.02 0.52 -0.81 0.40 0.09 0.00 0.00 178.44 178.62 3if9 h ILE 346 N 0.80 1.50 -0.04 1.22 2.04 -0.75 -2.78 117.51 119.51 3if9 h ILE 346 Ca 0.21 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3if9 h ILE 346 Cb -0.04 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3if9 h ILE 346 CO -0.04 0.74 0.00 0.23 0.00 0.00 0.00 178.15 179.08 3if9 n MET 347 N -3.67 1.30 -2.84 2.37 2.81 -0.50 -4.90 117.12 111.68 3if9 n MET 347 Ca -0.03 -0.44 -0.20 0.00 -1.81 0.00 0.00 57.70 55.23 3if9 n MET 347 Cb 0.77 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.86 3if9 n MET 347 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3if9 n ASN 348 N -0.41 -5.04 -4.80 7.83 3.02 -0.75 -5.00 115.26 110.11 3if9 n ASN 348 Ca 0.19 -0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 3if9 n ASN 348 Cb 0.20 -4.16 0.12 0.00 -0.61 0.00 0.00 39.78 35.33 3if9 n ASN 348 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3if9 s LYS 349 N -5.49 1.52 -0.08 3.52 1.02 -0.12 -5.02 119.74 115.09 3if9 s LYS 349 Ca 0.20 0.42 -0.19 0.00 0.02 0.00 0.00 55.97 56.42 3if9 s LYS 349 Cb -0.09 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 3if9 s LYS 349 CO 0.24 -1.96 0.52 -2.00 -0.92 0.00 0.00 175.35 171.22 3if9 s GLU 350 N -5.24 4.31 0.23 1.68 2.12 -1.26 -4.66 118.70 115.88 3if9 s GLU 350 Ca 0.63 0.54 0.11 0.00 0.36 0.00 0.00 54.97 56.61 3if9 s GLU 350 Cb -0.15 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 3if9 s GLU 350 CO 0.54 0.24 -0.21 0.14 -0.54 0.00 0.00 175.26 175.43 3if9 s VAL 351 N 0.32 2.30 0.00 3.70 -7.23 -1.26 -5.05 120.40 113.18 3if9 s VAL 351 Ca 0.28 -2.20 -0.36 0.00 -1.81 0.00 0.00 61.98 57.88 3if9 s VAL 351 Cb -0.16 -2.17 -0.15 0.00 0.56 0.00 0.00 36.38 34.46 3if9 s VAL 351 CO 0.13 -0.30 1.56 -3.20 -0.31 0.00 0.00 175.10 172.97 3if9 n ASN 352 N -0.18 2.40 0.08 4.85 4.05 -1.26 -4.88 115.26 120.33 3if9 n ASN 352 Ca -0.09 1.08 0.02 0.00 0.45 0.00 0.00 54.58 56.04 3if9 n ASN 352 Cb 0.58 -1.26 -0.03 0.00 1.23 0.00 0.00 39.78 40.30 3if9 n ASN 352 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 3if9 h GLN 353 N 6.09 0.00 -0.53 1.20 5.75 -1.99 -2.66 115.11 122.97 3if9 h GLN 353 Ca -0.47 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.93 3if9 h GLN 353 Cb 1.30 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 3if9 h GLN 353 CO 0.87 0.37 -0.07 -0.44 -2.65 0.00 0.00 178.83 176.91 3if9 h ASP 354 N 0.00 0.95 -0.12 -0.69 3.32 -1.99 -1.90 116.42 115.99 3if9 h ASP 354 Ca -0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 3if9 h ASP 354 Cb 1.47 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3if9 h ASP 354 CO 0.05 1.04 -0.04 -0.50 -1.72 0.00 0.00 179.24 178.07 3if9 h TRP 355 N 0.86 0.26 -0.52 4.55 6.55 -1.90 -0.93 115.95 124.83 3if9 h TRP 355 Ca 0.14 -0.06 0.10 0.00 0.95 0.00 0.00 58.89 60.03 3if9 h TRP 355 Cb 0.61 -0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 28.75 3if9 h TRP 355 CO 0.04 0.56 -0.04 1.25 -1.05 0.00 0.00 178.44 179.20 3if9 h LEU 356 N -0.10 -0.30 -0.25 -4.49 5.85 -1.43 -2.61 115.31 111.99 3if9 h LEU 356 Ca 0.03 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3if9 h LEU 356 Cb 0.48 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3if9 h LEU 356 CO 0.01 -0.11 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.23 3if9 h HIS 357 N 0.08 0.51 -0.66 1.25 2.76 -1.25 -2.60 115.15 115.25 3if9 h HIS 357 Ca 0.26 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 3if9 h HIS 357 Cb 0.41 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 3if9 h HIS 357 CO -0.36 0.66 0.43 0.00 -1.30 0.00 0.00 177.93 177.37 3if9 h ALA 358 N 0.78 1.88 -0.15 5.26 0.00 -0.85 -2.83 119.26 123.35 3if9 h ALA 358 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3if9 h ALA 358 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3if9 h ALA 358 CO 0.02 -0.01 -0.02 1.19 0.00 0.00 0.00 179.25 180.43 3if9 n PHE 359 N -4.48 0.53 -1.91 0.00 3.01 -1.01 -4.95 117.46 108.64 3if9 n PHE 359 Ca 0.10 -1.01 -0.34 0.00 1.01 0.00 0.00 57.45 57.22 3if9 n PHE 359 Cb 0.31 -0.26 0.03 0.00 -0.01 0.00 0.00 39.48 39.56 3if9 n PHE 359 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3if9 s ARG 360 N -2.90 2.95 0.09 -1.08 1.70 -0.98 -0.51 118.95 118.22 3if9 s ARG 360 Ca 0.38 1.51 -0.15 0.00 -0.47 0.00 0.00 55.73 57.00 3if9 s ARG 360 Cb 0.32 -1.96 -0.11 0.00 -0.57 0.00 0.00 34.95 32.64 3if9 s ARG 360 CO 0.05 -1.15 1.38 0.82 -1.08 0.00 0.00 175.30 175.31 3if9 h ILE 361 N 0.44 1.31 -2.21 4.99 5.03 -1.90 -3.38 117.51 121.78 3if9 h ILE 361 Ca -0.48 -1.60 -0.70 0.00 -0.12 0.00 0.00 64.86 61.96 3if9 h ILE 361 Cb 1.26 1.72 -0.17 0.00 -3.03 0.00 0.00 36.82 36.60 3if9 h ILE 361 CO 0.55 0.51 1.11 -0.62 -0.68 0.00 0.00 178.15 179.02 3if9 s ASP 362 N -6.67 6.80 -0.58 1.72 3.68 -1.26 -4.94 116.67 115.43 3if9 s ASP 362 Ca -0.12 -2.41 -0.05 0.00 2.13 0.00 0.00 52.55 52.11 3if9 s ASP 362 Cb 0.08 -2.41 0.15 0.00 -1.45 0.00 0.00 42.92 39.29 3if9 s ASP 362 CO 0.84 -0.96 0.41 -0.13 0.13 0.00 0.00 175.17 175.46 3if9 s ARG 363 N 2.40 2.53 0.00 4.34 0.52 -1.26 -5.17 118.95 122.30 3if9 s ARG 363 Ca 0.38 -2.26 0.30 0.00 -0.52 0.00 0.00 55.73 53.63 3if9 s ARG 363 Cb -0.03 -3.79 1.56 0.00 0.52 0.00 0.00 34.95 33.20 3if9 s ARG 363 CO -0.05 -1.17 2.03 1.63 0.02 0.00 0.00 175.30 177.76