#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti6 s GLU 2 N 0.00 4.75 0.24 0.03 2.12 -1.26 -4.89 118.70 119.68 1ti6 s GLU 2 Ca 0.00 1.51 0.11 0.00 0.36 0.00 0.00 54.97 56.94 1ti6 s GLU 2 Cb 0.00 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1ti6 s GLU 2 CO 0.00 0.40 -0.17 -0.65 -0.54 0.00 0.00 175.26 174.30 1ti6 s GLN 3 N -1.44 1.78 0.24 4.30 -0.21 -0.14 -4.49 119.66 119.70 1ti6 s GLN 3 Ca 0.44 -1.57 -0.13 0.00 0.02 0.00 0.00 55.36 54.12 1ti6 s GLN 3 Cb -0.25 -1.91 -0.08 0.00 1.00 0.00 0.00 33.01 31.77 1ti6 s GLN 3 CO 0.32 0.37 0.62 0.71 -2.12 0.00 0.00 175.29 175.19 1ti6 s TYR 4 N -2.10 3.46 0.02 0.91 1.51 -0.68 -1.13 117.35 119.32 1ti6 s TYR 4 Ca 0.27 1.06 -0.10 0.00 -1.01 0.00 0.00 57.07 57.28 1ti6 s TYR 4 Cb -0.07 -2.39 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1ti6 s TYR 4 CO 0.14 0.25 0.21 0.71 -1.11 0.00 0.00 175.55 175.75 1ti6 s TYR 5 N -1.79 -0.01 -0.02 2.71 1.51 0.28 -4.91 117.35 115.12 1ti6 s TYR 5 Ca 0.48 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.46 1ti6 s TYR 5 Cb -0.12 -0.00 -0.00 0.00 -0.11 0.00 0.00 41.96 41.73 1ti6 s TYR 5 CO 0.20 -0.38 -0.11 1.41 -1.11 0.00 0.00 175.55 175.56 1ti6 s MET 6 N -1.92 1.00 -0.12 -0.62 1.75 -0.79 -1.42 119.30 117.17 1ti6 s MET 6 Ca -0.10 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1ti6 s MET 6 Cb -0.04 -0.94 0.01 0.00 2.84 0.00 0.00 34.83 36.70 1ti6 s MET 6 CO -0.00 0.18 -0.20 0.08 -0.65 0.00 0.00 175.02 174.43 1ti6 s VAL 7 N -0.02 1.85 -0.17 10.11 1.01 -0.06 0.33 120.40 133.46 1ti6 s VAL 7 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1ti6 s VAL 7 Cb -0.07 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1ti6 s VAL 7 CO 0.00 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 1ti6 s ILE 8 N 0.83 2.91 -0.60 2.22 1.01 0.12 -1.63 121.20 126.06 1ti6 s ILE 8 Ca -0.08 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1ti6 s ILE 8 Cb -0.16 -2.26 0.11 0.00 0.01 0.00 0.00 42.46 40.17 1ti6 s ILE 8 CO -0.01 0.49 0.69 -0.62 0.00 0.00 0.00 174.94 175.50 1ti6 s ASP 9 N 0.92 6.22 0.34 3.58 -1.08 -0.66 -0.06 116.67 125.92 1ti6 s ASP 9 Ca -0.03 -1.54 0.09 0.00 -0.52 0.00 0.00 52.55 50.56 1ti6 s ASP 9 Cb -0.15 -2.29 0.83 0.00 -1.46 0.00 0.00 42.92 39.85 1ti6 s ASP 9 CO -0.01 -1.07 1.83 0.58 0.52 0.00 0.00 175.17 177.02 1ti6 h VAL 10 N 5.88 0.76 0.00 1.11 2.07 -1.63 -0.40 116.25 124.04 1ti6 h VAL 10 Ca -0.27 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ti6 h VAL 10 Cb 1.09 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ti6 h VAL 10 CO 1.08 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.80 1ti6 n ALA 11 N -2.41 1.40 0.85 1.67 0.00 -1.26 -2.33 120.51 118.43 1ti6 n ALA 11 Ca 0.20 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.87 1ti6 n ALA 11 Cb 0.55 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1ti6 n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ti6 n LYS 12 N -2.29 1.27 -2.31 0.00 5.02 -0.16 -4.97 118.16 114.72 1ti6 n LYS 12 Ca 0.01 -0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 55.40 1ti6 n LYS 12 Cb 0.15 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1ti6 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ti6 n GLN 14 N 2.83 1.18 -3.62 0.00 10.64 -1.26 -4.63 117.38 122.52 1ti6 n GLN 14 Ca 0.06 -1.06 -0.23 0.00 -1.83 0.00 0.00 57.00 53.94 1ti6 n GLN 14 Cb 0.44 -1.01 0.07 0.00 -0.86 0.00 0.00 30.24 28.88 1ti6 n GLN 14 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ti6 n ASP 15 N -0.25 -4.95 0.13 2.61 4.64 -1.26 -4.88 116.55 112.60 1ti6 n ASP 15 Ca 0.00 -0.61 0.13 0.00 -1.38 0.00 0.00 54.79 52.93 1ti6 n ASP 15 Cb 0.14 -4.84 0.39 0.00 -1.04 0.00 0.00 41.12 35.78 1ti6 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ti6 n ASN 17 N -2.39 -4.15 0.11 0.00 3.02 -1.26 -4.90 115.26 105.69 1ti6 n ASN 17 Ca 0.05 0.22 0.04 0.00 -0.03 0.00 0.00 54.58 54.86 1ti6 n ASN 17 Cb 0.42 -2.73 0.46 0.00 -0.61 0.00 0.00 39.78 37.31 1ti6 n ASN 17 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1ti6 h ASN 18 N 0.00 0.25 0.00 6.41 4.21 -1.91 -2.03 115.58 122.51 1ti6 h ASN 18 Ca -0.22 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1ti6 h ASN 18 Cb 0.78 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1ti6 h ASN 18 CO 0.32 0.28 0.00 0.00 -1.29 0.00 0.00 177.43 176.74 1ti6 h PHE 20 N 0.00 -0.07 0.00 0.00 3.57 -1.86 1.13 116.94 119.70 1ti6 h PHE 20 Ca 0.00 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1ti6 h PHE 20 Cb 0.00 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1ti6 h PHE 20 CO -0.11 -0.27 -0.18 1.98 -2.23 0.00 0.00 178.31 177.50 1ti6 h MET 21 N 0.09 0.00 -0.42 1.11 4.05 -1.36 -1.83 114.93 116.57 1ti6 h MET 21 Ca 0.44 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.80 1ti6 h MET 21 Cb 0.78 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 1ti6 h MET 21 CO -0.71 0.18 0.05 0.78 0.23 0.00 0.00 176.91 177.43 1ti6 h GLY 22 N 0.60 0.77 0.94 1.39 0.00 0.26 -0.36 103.07 106.66 1ti6 h GLY 22 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1ti6 h GLY 22 CO 0.02 0.49 -0.03 0.00 0.00 0.00 0.00 176.54 177.02 1ti6 h MET 24 N -0.13 0.20 -0.94 0.00 2.86 -1.40 1.28 114.93 116.80 1ti6 h MET 24 Ca -0.01 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1ti6 h MET 24 Cb 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 1ti6 h MET 24 CO 0.01 0.14 0.61 0.22 1.06 0.00 0.00 176.91 178.94 1ti6 h ASP 25 N 0.21 0.88 0.58 1.22 -0.00 -0.88 0.12 116.42 118.55 1ti6 h ASP 25 Ca 0.19 0.03 -0.28 0.00 -0.00 0.00 0.00 57.03 56.96 1ti6 h ASP 25 Cb 0.22 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1ti6 h ASP 25 CO -0.24 0.51 -1.34 -0.08 -0.00 0.00 0.00 179.24 178.09 1ti6 h GLU 26 N 0.97 0.25 0.00 0.28 4.57 -0.11 -3.43 114.58 117.11 1ti6 h GLU 26 Ca 0.44 -0.43 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1ti6 h GLU 26 Cb 0.39 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1ti6 h GLU 26 CO -0.20 1.16 -1.41 0.72 -1.18 0.00 0.00 179.01 178.10 1ti6 n HIS 27 N -3.49 0.00 -0.20 0.92 8.25 0.43 -4.32 115.22 116.81 1ti6 n HIS 27 Ca -0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.27 1ti6 n HIS 27 Cb 1.03 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.90 1ti6 n HIS 27 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ti6 h GLU 28 N 0.00 0.91 -0.02 -0.41 4.22 -0.92 0.63 114.58 118.99 1ti6 h GLU 28 Ca -0.10 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1ti6 h GLU 28 Cb 0.89 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ti6 h GLU 28 CO 0.01 0.86 -0.22 1.28 -2.18 0.00 0.00 179.01 178.75 1ti6 n LEU 29 N -4.38 1.97 -4.53 1.64 4.77 -1.26 -4.28 117.00 110.93 1ti6 n LEU 29 Ca 0.02 -0.85 -0.29 0.00 -0.03 0.00 0.00 56.01 54.86 1ti6 n LEU 29 Cb 0.24 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1ti6 n LEU 29 CO 0.41 0.36 -0.46 0.20 -1.33 0.00 0.00 177.39 176.57 1ti6 s ASN 30 N -1.78 4.12 -0.06 -1.43 0.01 -1.23 -5.06 114.94 109.50 1ti6 s ASN 30 Ca 0.16 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1ti6 s ASN 30 Cb 0.14 -0.67 -0.01 0.00 0.41 0.00 0.00 41.25 41.11 1ti6 s ASN 30 CO 0.35 0.17 -0.21 -1.61 -1.51 0.00 0.00 177.10 174.28 1ti6 s GLU 31 N -2.27 2.62 -0.54 -0.60 2.02 -1.26 -3.79 118.70 114.87 1ti6 s GLU 31 Ca 0.20 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.39 1ti6 s GLU 31 Cb -0.10 -2.26 0.14 0.00 0.10 0.00 0.00 34.13 32.00 1ti6 s GLU 31 CO 0.12 0.42 0.29 -1.58 0.02 0.00 0.00 175.26 174.53 1ti6 s TRP 32 N -0.24 3.16 -0.15 1.61 0.52 -0.32 -5.00 118.94 118.52 1ti6 s TRP 32 Ca -0.01 -3.16 -0.41 0.00 0.02 0.00 0.00 56.10 52.55 1ti6 s TRP 32 Cb -0.13 -2.74 -0.18 0.00 -1.15 0.00 0.00 33.47 29.26 1ti6 s TRP 32 CO 0.03 -0.72 1.42 -2.30 0.02 0.00 0.00 176.95 175.41 1ti6 n PRO 33 N 2.96 0.61 0.00 4.98 -0.02 -1.26 -0.56 135.00 141.71 1ti6 n PRO 33 Ca 0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1ti6 n PRO 33 Cb 0.33 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ti6 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 34 N 2.97 3.21 0.57 -1.23 0.00 -1.26 -4.81 105.19 104.64 1ti6 n GLY 34 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ti6 n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ti6 n TYR 35 N -1.18 0.00 -3.60 1.61 4.02 0.28 -4.76 117.16 113.52 1ti6 n TYR 35 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1ti6 n TYR 35 Cb 0.00 -0.42 -0.04 0.00 -0.02 0.00 0.00 39.34 38.86 1ti6 n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1ti6 s THR 36 N -2.22 0.00 0.86 -0.72 -1.32 -0.61 -4.59 115.64 107.04 1ti6 s THR 36 Ca -0.16 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.21 1ti6 s THR 36 Cb 0.06 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.24 1ti6 s THR 36 CO 0.21 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.79 1ti6 n ALA 37 N 0.36 -0.95 -1.76 11.08 0.00 -1.26 -1.18 120.51 126.80 1ti6 n ALA 37 Ca -0.03 -1.72 -0.37 0.00 0.00 0.00 0.00 53.44 51.32 1ti6 n ALA 37 Cb 0.58 0.04 0.02 0.00 0.00 0.00 0.00 19.45 20.09 1ti6 n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ti6 s SER 38 N -5.41 5.57 0.50 0.00 1.04 -1.25 -4.72 113.70 109.43 1ti6 s SER 38 Ca 0.69 2.45 -0.21 0.00 0.48 0.00 0.00 55.95 59.37 1ti6 s SER 38 Cb -0.02 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 1ti6 s SER 38 CO 0.48 -1.34 1.08 -0.32 0.98 0.00 0.00 173.24 174.12 1ti6 s MET 39 N -3.00 3.68 -0.06 4.02 1.75 0.21 -4.96 119.30 120.95 1ti6 s MET 39 Ca 0.71 1.49 -0.19 0.00 -1.25 0.00 0.00 55.69 56.46 1ti6 s MET 39 Cb -0.32 -2.13 -0.05 0.00 2.84 0.00 0.00 34.83 35.17 1ti6 s MET 39 CO 0.37 -0.55 0.51 -1.14 -0.65 0.00 0.00 175.02 173.56 1ti6 s GLN 40 N -3.14 4.27 0.16 4.11 0.74 -1.26 -4.57 119.66 119.96 1ti6 s GLN 40 Ca 0.68 0.55 -0.33 0.00 0.05 0.00 0.00 55.36 56.31 1ti6 s GLN 40 Cb -0.20 -3.37 -0.13 0.00 1.10 0.00 0.00 33.01 30.41 1ti6 s GLN 40 CO 0.24 0.31 1.65 0.54 -0.55 0.00 0.00 175.29 177.48 1ti6 n ARG 41 N 3.06 2.37 0.00 1.67 1.74 -1.26 -1.82 116.66 122.41 1ti6 n ARG 41 Ca -0.08 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1ti6 n ARG 41 Cb 0.51 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 1ti6 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 42 N 3.67 2.43 3.76 -0.13 0.00 -1.26 -5.08 105.19 108.57 1ti6 n GLY 42 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ti6 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ti6 s HIS 43 N -2.34 2.45 -0.51 1.61 3.76 -0.76 -5.01 115.29 114.50 1ti6 s HIS 43 Ca 0.00 1.57 0.07 0.00 -0.15 0.00 0.00 55.06 56.55 1ti6 s HIS 43 Cb 0.00 -3.26 0.25 0.00 1.11 0.00 0.00 32.58 30.68 1ti6 s HIS 43 CO 0.00 -1.95 0.63 0.54 -0.85 0.00 0.00 174.74 173.11 1ti6 n ARG 44 N -2.47 1.57 -0.23 1.40 1.74 -1.26 -4.88 116.66 112.53 1ti6 n ARG 44 Ca 0.11 -3.91 0.08 0.00 -0.77 0.00 0.00 57.85 53.37 1ti6 n ARG 44 Cb 0.51 -1.71 0.35 0.00 -1.02 0.00 0.00 32.46 30.60 1ti6 n ARG 44 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ti6 h TRP 45 N 4.07 0.81 -3.60 -1.55 4.06 -1.92 -3.18 115.95 114.65 1ti6 h TRP 45 Ca 0.13 0.02 -0.70 0.00 2.06 0.00 0.00 58.89 60.40 1ti6 h TRP 45 Cb 0.78 -0.26 -0.29 0.00 -1.00 0.00 0.00 29.16 28.38 1ti6 h TRP 45 CO 0.54 0.38 -0.57 1.41 -3.56 0.00 0.00 178.44 176.64 1ti6 s MET 46 N -5.70 2.57 -0.32 0.49 -2.45 -1.26 -4.13 119.30 108.50 1ti6 s MET 46 Ca -0.10 -1.30 -0.06 0.00 -1.25 0.00 0.00 55.69 52.99 1ti6 s MET 46 Cb 0.20 -3.55 0.04 0.00 1.25 0.00 0.00 34.83 32.77 1ti6 s MET 46 CO 0.78 -0.77 0.08 1.21 1.05 0.00 0.00 175.02 177.37 1ti6 s ASN 47 N 1.61 5.19 -0.60 1.11 3.84 -0.16 -4.81 114.94 121.12 1ti6 s ASN 47 Ca 0.00 -1.09 -0.22 0.00 0.21 0.00 0.00 52.86 51.77 1ti6 s ASN 47 Cb -0.21 -1.84 0.07 0.00 -0.55 0.00 0.00 41.25 38.72 1ti6 s ASN 47 CO 0.02 -0.29 0.86 -0.63 -2.79 0.00 0.00 177.10 174.27 1ti6 s ILE 48 N 1.39 4.52 0.33 -5.21 1.01 -1.26 -0.10 121.20 121.87 1ti6 s ILE 48 Ca -0.02 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 1ti6 s ILE 48 Cb -0.19 -4.56 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 1ti6 s ILE 48 CO 0.02 -1.23 1.05 -1.61 0.00 0.00 0.00 174.94 173.18 1ti6 s GLU 49 N 3.55 4.47 -0.07 2.79 0.41 -0.89 -4.85 118.70 124.11 1ti6 s GLU 49 Ca 0.21 1.62 0.05 0.00 -0.41 0.00 0.00 54.97 56.43 1ti6 s GLU 49 Cb -0.18 -2.92 -0.00 0.00 -1.78 0.00 0.00 34.13 29.25 1ti6 s GLU 49 CO 0.11 0.11 -0.21 1.03 -0.49 0.00 0.00 175.26 175.81 1ti6 s ARG 50 N -1.87 2.40 -0.12 1.61 0.52 -1.26 -0.95 118.95 119.26 1ti6 s ARG 50 Ca 0.50 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1ti6 s ARG 50 Cb -0.26 -1.95 0.06 0.00 0.52 0.00 0.00 34.95 33.31 1ti6 s ARG 50 CO 0.34 0.24 0.13 0.50 0.02 0.00 0.00 175.30 176.53 1ti6 s ARG 51 N 0.14 0.05 0.19 3.54 3.52 -0.49 -5.02 118.95 120.88 1ti6 s ARG 51 Ca -0.10 0.26 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 1ti6 s ARG 51 Cb -0.15 -0.97 -0.08 0.00 -1.56 0.00 0.00 34.95 32.19 1ti6 s ARG 51 CO 0.05 -0.49 0.64 -1.21 -0.81 0.00 0.00 175.30 173.48 1ti6 s GLU 52 N 2.23 4.10 0.09 5.12 2.02 -1.26 -1.80 118.70 129.20 1ti6 s GLU 52 Ca 0.04 0.67 0.05 0.00 0.02 0.00 0.00 54.97 55.75 1ti6 s GLU 52 Cb -0.14 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1ti6 s GLU 52 CO -0.07 0.42 -0.13 1.03 0.02 0.00 0.00 175.26 176.53 1ti6 s ARG 53 N -2.05 0.86 1.58 1.61 0.52 0.28 -4.97 118.95 116.78 1ti6 s ARG 53 Ca 0.41 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1ti6 s ARG 53 Cb -0.15 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.59 1ti6 s ARG 53 CO 0.20 0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1ti6 n GLY 54 N 0.91 -1.47 3.04 -3.53 0.00 -1.26 -1.38 105.19 101.50 1ti6 n GLY 54 Ca -0.18 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1ti6 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ti6 s THR 55 N 0.00 0.50 0.29 2.61 -4.23 -1.26 -4.83 115.64 108.71 1ti6 s THR 55 Ca 0.00 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.30 1ti6 s THR 55 Cb 0.00 -0.55 -0.14 0.00 1.34 0.00 0.00 72.50 73.15 1ti6 s THR 55 CO 0.00 -0.30 1.06 0.00 -0.54 0.00 0.00 174.62 174.84 1ti6 n TYR 56 N 1.72 1.41 0.20 3.99 9.36 -1.26 -1.34 117.16 131.24 1ti6 n TYR 56 Ca -0.21 0.68 0.11 0.00 3.32 0.00 0.00 57.90 61.79 1ti6 n TYR 56 Cb 0.55 -2.28 0.27 0.00 -0.63 0.00 0.00 39.34 37.26 1ti6 n TYR 56 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ti6 n PRO 57 N 0.80 2.41 -2.14 2.98 -0.04 -1.26 -4.90 135.00 132.85 1ti6 n PRO 57 Ca 0.09 -2.17 -0.31 0.00 -0.04 0.00 0.00 63.50 61.08 1ti6 n PRO 57 Cb 0.32 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1ti6 n PRO 57 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ti6 n ARG 58 N 1.29 3.19 -3.07 0.54 1.74 -0.45 -5.01 116.66 114.90 1ti6 n ARG 58 Ca 0.20 -4.05 -0.18 0.00 -0.77 0.00 0.00 57.85 53.05 1ti6 n ARG 58 Cb 0.53 -2.26 0.02 0.00 -1.02 0.00 0.00 32.46 29.73 1ti6 n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ti6 s ASN 59 N -2.67 5.45 0.36 0.55 2.20 -1.15 -4.38 114.94 115.30 1ti6 s ASN 59 Ca 0.51 -0.57 -0.12 0.00 -0.94 0.00 0.00 52.86 51.74 1ti6 s ASN 59 Cb 0.42 -0.37 0.05 0.00 -2.00 0.00 0.00 41.25 39.35 1ti6 s ASN 59 CO -0.21 -0.92 0.68 -0.90 -2.94 0.00 0.00 177.10 172.81 1ti6 n ASP 60 N -1.94 -1.97 -3.67 3.54 5.68 -0.48 -4.98 116.55 112.73 1ti6 n ASP 60 Ca 0.10 -2.51 -0.14 0.00 -0.50 0.00 0.00 54.79 51.73 1ti6 n ASP 60 Cb 0.60 3.32 -0.08 0.00 -1.14 0.00 0.00 41.12 43.82 1ti6 n ASP 60 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1ti6 s ILE 61 N -2.28 0.01 0.06 2.12 2.07 -1.26 -0.56 121.20 121.37 1ti6 s ILE 61 Ca 0.17 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1ti6 s ILE 61 Cb -0.04 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 1ti6 s ILE 61 CO 0.12 -0.06 -0.05 0.20 -1.91 0.00 0.00 174.94 173.25 1ti6 s ASN 62 N -0.36 0.72 0.10 4.50 0.01 -0.74 -5.00 114.94 114.17 1ti6 s ASN 62 Ca -0.05 -0.94 0.08 0.00 -0.71 0.00 0.00 52.86 51.23 1ti6 s ASN 62 Cb -0.03 0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.74 1ti6 s ASN 62 CO 0.03 -0.51 -0.20 -0.31 -1.51 0.00 0.00 177.10 174.61 1ti6 s TYR 63 N -3.50 1.68 -0.37 2.20 1.51 -1.26 -1.40 117.35 116.21 1ti6 s TYR 63 Ca 0.06 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1ti6 s TYR 63 Cb 0.05 -0.92 0.11 0.00 -0.11 0.00 0.00 41.96 41.09 1ti6 s TYR 63 CO -0.07 0.18 0.15 0.50 -1.11 0.00 0.00 175.55 175.20 1ti6 s ARG 64 N -1.91 1.03 0.22 -0.62 3.52 -0.13 -4.70 118.95 116.36 1ti6 s ARG 64 Ca 0.05 -1.55 -0.32 0.00 -0.13 0.00 0.00 55.73 53.78 1ti6 s ARG 64 Cb -0.10 -2.26 -0.12 0.00 -1.56 0.00 0.00 34.95 30.91 1ti6 s ARG 64 CO 0.04 -1.06 1.66 -2.30 -0.81 0.00 0.00 175.30 172.83 1ti6 n PRO 65 N 4.23 2.62 -3.71 5.12 -0.02 -1.26 -2.10 135.00 139.88 1ti6 n PRO 65 Ca 0.03 0.94 -0.30 0.00 -2.02 0.00 0.00 63.50 62.16 1ti6 n PRO 65 Cb 0.39 -2.76 -0.15 0.00 -0.02 0.00 0.00 33.50 30.97 1ti6 n PRO 65 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ti6 s THR 66 N 0.84 0.88 0.00 3.45 2.01 0.85 -4.94 115.64 118.73 1ti6 s THR 66 Ca 0.73 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1ti6 s THR 66 Cb -0.54 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1ti6 s THR 66 CO 0.37 -0.73 0.00 -0.81 -0.69 0.00 0.00 174.62 172.77 1ti6 n PRO 67 N 4.64 2.82 -2.40 4.92 -0.04 -1.26 -0.99 135.00 142.69 1ti6 n PRO 67 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1ti6 n PRO 67 Cb 0.41 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.84 1ti6 n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ti6 n MET 69 N -0.39 0.15 -4.27 0.00 0.00 -1.26 -4.86 117.12 106.50 1ti6 n MET 69 Ca 0.07 0.07 -0.32 0.00 0.00 0.00 0.00 57.70 57.51 1ti6 n MET 69 Cb 0.49 -1.62 -0.09 0.00 0.00 0.00 0.00 33.22 32.00 1ti6 n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1ti6 n HIS 70 N -1.86 -1.17 -1.73 2.03 8.25 -1.26 -1.48 115.22 117.99 1ti6 n HIS 70 Ca 0.05 0.60 -0.37 0.00 -0.26 0.00 0.00 57.72 57.73 1ti6 n HIS 70 Cb 0.39 -2.45 0.06 0.00 1.12 0.00 0.00 29.99 29.12 1ti6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ti6 h GLU 72 N 0.73 0.00 -2.22 0.00 5.08 -0.16 -3.20 114.58 114.81 1ti6 h GLU 72 Ca -0.51 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.26 1ti6 h GLU 72 Cb 1.33 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.16 1ti6 h GLU 72 CO 0.54 0.24 -0.63 -1.71 -1.00 0.00 0.00 179.01 176.45 1ti6 n ASN 73 N -3.95 3.89 -4.66 1.42 4.05 0.60 -5.03 115.26 111.58 1ti6 n ASN 73 Ca -0.02 -3.51 -0.42 0.00 0.45 0.00 0.00 54.58 51.08 1ti6 n ASN 73 Cb 0.32 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 40.67 1ti6 n ASN 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ti6 s ALA 74 N -2.79 3.61 0.34 5.20 0.00 -1.21 -4.53 121.76 122.37 1ti6 s ALA 74 Ca 0.43 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1ti6 s ALA 74 Cb 0.20 -3.72 0.61 0.00 0.00 0.00 0.00 23.12 20.21 1ti6 s ALA 74 CO -0.06 -1.37 1.86 -1.35 0.00 0.00 0.00 175.76 174.84 1ti6 h PRO 75 N 9.24 0.45 0.00 0.00 0.11 -1.93 -2.43 132.00 137.44 1ti6 h PRO 75 Ca -0.35 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ti6 h PRO 75 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ti6 h PRO 75 CO 0.96 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 179.29 1ti6 h VAL 77 N 0.00 1.41 -0.40 0.00 2.07 -1.75 0.42 116.25 117.99 1ti6 h VAL 77 Ca 0.00 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1ti6 h VAL 77 Cb 0.80 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1ti6 h VAL 77 CO 0.00 0.64 0.12 0.00 0.02 0.00 0.00 177.57 178.35 1ti6 h ALA 78 N 0.30 1.46 -0.05 1.67 0.00 -1.24 -3.11 119.26 118.29 1ti6 h ALA 78 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ti6 h ALA 78 Cb 1.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ti6 h ALA 78 CO 0.14 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.42 1ti6 n LYS 79 N -4.35 2.31 0.00 0.00 5.02 0.02 -4.62 118.16 116.54 1ti6 n LYS 79 Ca 0.03 -2.09 0.14 0.00 -2.02 0.00 0.00 58.31 54.37 1ti6 n LYS 79 Cb 0.17 -1.29 0.63 0.00 -0.02 0.00 0.00 35.03 34.53 1ti6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ti6 n GLY 80 N -0.78 -0.46 3.63 0.72 0.00 0.15 -4.93 105.19 103.52 1ti6 n GLY 80 Ca 0.09 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1ti6 n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ti6 n ASN 81 N -0.38 -4.05 0.00 1.61 2.85 -1.26 -0.91 115.26 113.12 1ti6 n ASN 81 Ca 0.19 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 1ti6 n ASN 81 Cb 0.28 -3.30 0.00 0.00 1.24 0.00 0.00 39.78 38.00 1ti6 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ti6 n GLY 82 N -1.35 0.93 0.07 8.20 0.00 -1.26 -4.91 105.19 106.88 1ti6 n GLY 82 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 n ALA 83 N -1.02 2.41 -3.04 4.61 0.00 -0.09 -4.74 120.51 118.63 1ti6 n ALA 83 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 1ti6 n ALA 83 Cb 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.87 1ti6 n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ti6 s VAL 84 N -3.08 0.68 0.17 0.00 1.01 -1.26 0.10 120.40 118.02 1ti6 s VAL 84 Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1ti6 s VAL 84 Cb 0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1ti6 s VAL 84 CO 0.60 0.22 -0.02 -0.72 0.00 0.00 0.00 175.10 175.18 1ti6 s TYR 85 N 0.21 1.22 -0.13 5.22 1.13 -0.32 -4.63 117.35 120.04 1ti6 s TYR 85 Ca -0.03 -0.97 0.02 0.00 -1.41 0.00 0.00 57.07 54.67 1ti6 s TYR 85 Cb -0.08 -0.69 -0.00 0.00 -1.10 0.00 0.00 41.96 40.09 1ti6 s TYR 85 CO 0.00 -0.16 -0.18 -1.14 -2.51 0.00 0.00 175.55 171.56 1ti6 s GLN 86 N -3.89 3.17 0.56 -3.49 0.74 -1.26 -1.02 119.66 114.47 1ti6 s GLN 86 Ca 0.22 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.78 1ti6 s GLN 86 Cb 0.06 -2.51 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 1ti6 s GLN 86 CO 0.03 0.09 0.88 1.03 -0.55 0.00 0.00 175.29 176.77 1ti6 s ARG 87 N 0.59 3.24 0.44 1.67 0.52 0.06 -4.97 118.95 120.50 1ti6 s ARG 87 Ca -0.10 0.18 0.11 0.00 -0.52 0.00 0.00 55.73 55.40 1ti6 s ARG 87 Cb -0.16 -2.28 0.99 0.00 0.52 0.00 0.00 34.95 34.02 1ti6 s ARG 87 CO 0.03 -0.50 2.03 0.93 0.02 0.00 0.00 175.30 177.81 1ti6 h GLU 88 N -0.05 0.41 -0.03 3.54 5.08 -1.97 -0.73 114.58 120.82 1ti6 h GLU 88 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ti6 h GLU 88 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ti6 h GLU 88 CO 0.61 0.27 0.00 -0.40 -1.00 0.00 0.00 179.01 178.49 1ti6 n ASP 89 N -4.48 0.19 0.00 1.42 3.85 -1.26 -4.79 116.55 111.48 1ti6 n ASP 89 Ca 0.06 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1ti6 n ASP 89 Cb 0.21 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1ti6 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ti6 n GLY 90 N 0.68 2.18 3.72 6.12 0.00 -0.28 -1.69 105.19 115.91 1ti6 n GLY 90 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ti6 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ti6 s ILE 91 N -2.31 3.49 -0.26 -0.61 1.01 -1.26 -4.73 121.20 116.53 1ti6 s ILE 91 Ca 0.00 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.63 1ti6 s ILE 91 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1ti6 s ILE 91 CO 0.00 0.09 0.15 -0.69 0.00 0.00 0.00 174.94 174.49 1ti6 s VAL 92 N 1.04 5.06 0.01 2.92 1.01 -1.26 -0.76 120.40 128.41 1ti6 s VAL 92 Ca 0.63 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1ti6 s VAL 92 Cb -0.35 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ti6 s VAL 92 CO 0.30 0.29 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 1ti6 s LEU 93 N 1.56 2.10 0.13 3.92 1.43 -0.19 -4.83 118.68 122.81 1ti6 s LEU 93 Ca 0.07 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1ti6 s LEU 93 Cb -0.15 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 1ti6 s LEU 93 CO 0.08 0.20 0.79 -0.63 0.23 0.00 0.00 176.35 177.01 1ti6 s ILE 94 N -0.63 4.47 -0.41 -0.59 1.01 -1.26 -1.18 121.20 122.62 1ti6 s ILE 94 Ca 0.07 1.71 -0.29 0.00 0.00 0.00 0.00 60.65 62.15 1ti6 s ILE 94 Cb -0.08 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1ti6 s ILE 94 CO 0.00 0.46 1.10 -0.62 0.00 0.00 0.00 174.94 175.89 1ti6 s ASP 95 N -0.76 6.76 0.49 3.58 -1.08 0.12 -4.88 116.67 120.89 1ti6 s ASP 95 Ca 0.37 0.71 0.28 0.00 -0.52 0.00 0.00 52.55 53.39 1ti6 s ASP 95 Cb -0.22 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.05 1ti6 s ASP 95 CO 0.26 -1.08 1.85 -0.65 0.52 0.00 0.00 175.17 176.06 1ti6 h PRO 96 N 8.73 0.14 0.02 4.34 0.11 -1.85 -1.27 132.00 142.22 1ti6 h PRO 96 Ca -0.22 -0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.49 1ti6 h PRO 96 Cb 1.06 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1ti6 h PRO 96 CO 1.08 0.09 -2.30 0.39 -0.21 0.00 0.00 178.00 177.06 1ti6 n GLU 97 N -4.36 0.65 0.10 1.05 -0.58 -1.26 -4.12 120.64 112.12 1ti6 n GLU 97 Ca 0.21 0.24 0.03 0.00 -0.42 0.00 0.00 57.16 57.22 1ti6 n GLU 97 Cb 0.95 -1.57 0.41 0.00 -0.57 0.00 0.00 31.44 30.66 1ti6 n GLU 97 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1ti6 h LYS 98 N -0.32 0.30 0.00 3.49 1.57 -1.88 -2.57 116.57 117.15 1ti6 h LYS 98 Ca -0.56 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1ti6 h LYS 98 Cb 1.80 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.06 1ti6 h LYS 98 CO -0.15 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1ti6 h ALA 99 N 1.69 1.00 -1.87 3.86 0.00 -1.43 -3.47 119.26 119.03 1ti6 h ALA 99 Ca 0.07 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.33 1ti6 h ALA 99 Cb 0.25 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.10 1ti6 h ALA 99 CO 0.01 0.00 0.47 1.63 0.00 0.00 0.00 179.25 181.36 1ti6 n LYS 100 N -2.71 1.42 -0.85 0.00 5.02 -0.97 -2.02 118.16 118.04 1ti6 n LYS 100 Ca 0.04 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1ti6 n LYS 100 Cb 0.41 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1ti6 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ti6 n GLY 101 N 2.47 0.69 2.98 0.72 0.00 0.91 -5.00 105.19 107.96 1ti6 n GLY 101 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1ti6 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 102 N -0.15 2.52 0.57 1.61 1.02 -0.86 -4.91 119.74 119.55 1ti6 s LYS 102 Ca 0.00 -3.06 0.33 0.00 0.02 0.00 0.00 55.97 53.26 1ti6 s LYS 102 Cb 0.00 -3.54 1.72 0.00 -0.52 0.00 0.00 37.83 35.49 1ti6 s LYS 102 CO 0.00 -1.22 2.15 0.87 -0.92 0.00 0.00 175.35 176.23 1ti6 h LYS 103 N 5.99 0.00 -0.00 1.68 1.57 -1.94 -2.83 116.57 121.05 1ti6 h LYS 103 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ti6 h LYS 103 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ti6 h LYS 103 CO 0.74 0.06 0.00 0.93 -0.57 0.00 0.00 179.45 180.61 1ti6 h GLU 104 N 0.00 0.00 -0.74 3.15 3.07 -1.98 -2.71 114.58 115.37 1ti6 h GLU 104 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1ti6 h GLU 104 Cb 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1ti6 h GLU 104 CO 0.01 0.00 0.49 -0.07 -1.40 0.00 0.00 179.01 178.04 1ti6 h LEU 105 N 0.00 0.56 -1.15 1.33 3.38 -1.90 -1.86 115.31 115.67 1ti6 h LEU 105 Ca 0.00 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1ti6 h LEU 105 Cb 0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1ti6 h LEU 105 CO -0.00 0.33 0.60 -0.07 0.09 0.00 0.00 178.44 179.39 1ti6 h LEU 106 N 0.62 0.79 -1.01 1.67 3.38 -1.73 -1.55 115.31 117.48 1ti6 h LEU 106 Ca 0.35 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1ti6 h LEU 106 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ti6 h LEU 106 CO -0.12 0.42 0.00 0.44 0.09 0.00 0.00 178.44 179.26 1ti6 h ASP 107 N 0.85 0.00 0.19 -0.43 3.32 -1.53 -2.84 116.42 115.97 1ti6 h ASP 107 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1ti6 h ASP 107 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ti6 h ASP 107 CO -0.23 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.64 1ti6 n THR 108 N -2.72 0.10 -3.45 0.35 -2.24 -0.58 -4.69 114.28 101.06 1ti6 n THR 108 Ca 0.02 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1ti6 n THR 108 Cb 0.30 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1ti6 n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti6 h PRO 110 N 8.63 0.00 0.00 0.00 0.11 -1.89 -2.54 132.00 136.31 1ti6 h PRO 110 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ti6 h PRO 110 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ti6 h PRO 110 CO 0.73 0.19 -0.68 0.66 -0.21 0.00 0.00 178.00 178.69 1ti6 n TYR 111 N -3.62 0.33 -3.55 0.65 4.02 -1.26 -4.98 117.16 108.76 1ti6 n TYR 111 Ca -0.01 0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.76 1ti6 n TYR 111 Cb 0.32 -0.49 0.08 0.00 -0.02 0.00 0.00 39.34 39.23 1ti6 n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ti6 n GLY 112 N 1.39 -0.45 0.79 2.72 0.00 -0.96 -4.90 105.19 103.78 1ti6 n GLY 112 Ca 0.04 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1ti6 n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ti6 n VAL 113 N -4.58 0.04 -3.56 1.61 0.24 -1.26 -4.91 118.33 105.90 1ti6 n VAL 113 Ca -0.13 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 1ti6 n VAL 113 Cb 0.61 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 34.01 1ti6 n VAL 113 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ti6 s MET 114 N -1.96 3.83 0.00 7.34 -1.94 -1.26 -4.53 119.30 120.78 1ti6 s MET 114 Ca 0.32 0.31 0.05 0.00 -1.71 0.00 0.00 55.69 54.67 1ti6 s MET 114 Cb 0.20 -3.19 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 1ti6 s MET 114 CO 0.31 0.69 -0.17 0.71 -0.01 0.00 0.00 175.02 176.55 1ti6 s TYR 115 N -1.11 1.51 -0.22 -0.03 1.51 0.56 -4.94 117.35 114.63 1ti6 s TYR 115 Ca 0.24 -0.30 -0.23 0.00 -1.01 0.00 0.00 57.07 55.77 1ti6 s TYR 115 Cb -0.16 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1ti6 s TYR 115 CO 0.13 -0.00 0.74 -0.46 -1.11 0.00 0.00 175.55 174.84 1ti6 s TRP 116 N -0.50 3.35 -0.40 2.71 -0.11 -1.26 0.07 118.94 122.80 1ti6 s TRP 116 Ca 0.06 1.04 -0.21 0.00 1.22 0.00 0.00 56.10 58.21 1ti6 s TRP 116 Cb -0.07 -2.93 0.01 0.00 -1.50 0.00 0.00 33.47 28.98 1ti6 s TRP 116 CO -0.00 -0.29 0.68 1.21 -4.62 0.00 0.00 176.95 173.92 1ti6 s ASN 117 N 1.29 6.40 0.13 5.86 3.84 0.03 -4.96 114.94 127.53 1ti6 s ASN 117 Ca 0.32 -0.03 -0.17 0.00 0.21 0.00 0.00 52.86 53.19 1ti6 s ASN 117 Cb -0.16 -2.34 -0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1ti6 s ASN 117 CO 0.09 -0.72 1.75 -0.33 -2.79 0.00 0.00 177.10 175.10 1ti6 h GLU 118 N 8.68 0.47 -0.49 0.43 4.39 -1.96 0.34 114.58 126.44 1ti6 h GLU 118 Ca -0.26 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.26 1ti6 h GLU 118 Cb 1.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1ti6 h GLU 118 CO 0.88 0.37 -0.20 1.49 -1.16 0.00 0.00 179.01 180.40 1ti6 h GLU 119 N 0.43 1.00 0.00 2.33 4.81 -1.97 -3.06 114.58 118.12 1ti6 h GLU 119 Ca 0.12 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ti6 h GLU 119 Cb 0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ti6 h GLU 119 CO -0.02 1.10 -0.55 0.39 -0.73 0.00 0.00 179.01 179.19 1ti6 n GLU 120 N -4.11 0.07 -3.68 1.92 -0.58 -1.21 -4.97 120.64 108.07 1ti6 n GLU 120 Ca 0.00 0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.50 1ti6 n GLU 120 Cb 0.45 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 29.82 1ti6 n GLU 120 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ti6 n ASN 121 N -1.63 -3.52 -3.57 1.62 3.02 0.12 -4.75 115.26 106.54 1ti6 n ASN 121 Ca 0.05 -0.92 -0.15 0.00 -0.03 0.00 0.00 54.58 53.52 1ti6 n ASN 121 Cb 0.36 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 1ti6 n ASN 121 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ti6 s VAL 122 N -3.59 0.02 0.33 2.41 0.11 -1.03 -0.06 120.40 118.59 1ti6 s VAL 122 Ca 0.27 -0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 1ti6 s VAL 122 Cb -0.08 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.74 1ti6 s VAL 122 CO 0.84 -0.09 1.01 0.00 -3.33 0.00 0.00 175.10 173.53 1ti6 s ALA 123 N -1.84 3.23 0.06 1.54 0.00 -1.26 -0.79 121.76 122.70 1ti6 s ALA 123 Ca -0.08 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1ti6 s ALA 123 Cb -0.01 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ti6 s ALA 123 CO 0.03 -0.02 -0.05 -0.65 0.00 0.00 0.00 175.76 175.08 1ti6 s GLN 124 N -1.94 0.60 0.05 0.00 -0.21 0.11 -4.90 119.66 113.37 1ti6 s GLN 124 Ca 0.50 -1.06 -0.18 0.00 0.02 0.00 0.00 55.36 54.64 1ti6 s GLN 124 Cb -0.24 0.01 0.06 0.00 1.00 0.00 0.00 33.01 33.84 1ti6 s GLN 124 CO 0.30 -0.05 0.82 0.36 -2.12 0.00 0.00 175.29 174.60 1ti6 n LYS 125 N 0.56 0.27 -1.56 2.91 -0.00 -1.26 -0.32 118.16 118.75 1ti6 n LYS 125 Ca -0.17 -0.76 -0.56 0.00 -0.00 0.00 0.00 58.31 56.83 1ti6 n LYS 125 Cb 0.59 1.12 -0.07 0.00 -0.00 0.00 0.00 35.03 36.66 1ti6 n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ti6 n THR 127 N 2.18 0.15 -3.40 0.00 -2.24 -1.26 -4.82 114.28 104.89 1ti6 n THR 127 Ca 0.20 -0.57 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 1ti6 n THR 127 Cb 0.13 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.40 1ti6 n THR 127 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1ti6 n MET 128 N 0.18 -5.59 -3.81 -0.78 1.56 -1.26 -2.15 117.12 105.27 1ti6 n MET 128 Ca 0.03 0.76 -0.23 0.00 -0.27 0.00 0.00 57.70 57.99 1ti6 n MET 128 Cb 0.13 -5.66 -0.01 0.00 2.15 0.00 0.00 33.22 29.84 1ti6 n MET 128 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ti6 h ALA 130 N 2.13 1.80 -0.17 0.00 0.00 -1.86 0.13 119.26 121.30 1ti6 h ALA 130 Ca -0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1ti6 h ALA 130 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ti6 h ALA 130 CO 0.30 0.14 0.02 1.12 0.00 0.00 0.00 179.25 180.83 1ti6 h HIS 131 N 0.50 0.24 0.21 0.00 2.07 -1.87 0.32 115.15 116.62 1ti6 h HIS 131 Ca 0.18 -0.01 -0.30 0.00 -2.85 0.00 0.00 60.37 57.39 1ti6 h HIS 131 Cb 0.11 -0.08 0.03 0.00 2.57 0.00 0.00 27.41 30.04 1ti6 h HIS 131 CO -0.00 0.24 -1.38 -0.07 -3.07 0.00 0.00 177.93 173.65 1ti6 h LEU 132 N 0.24 0.69 -1.50 6.12 3.38 -1.38 -3.16 115.31 119.70 1ti6 h LEU 132 Ca 0.06 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.05 1ti6 h LEU 132 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ti6 h LEU 132 CO 0.00 1.65 -0.26 -0.07 0.09 0.00 0.00 178.44 179.86 1ti6 h LEU 133 N -0.02 0.00 -0.12 1.67 3.38 -0.70 -2.03 115.31 117.50 1ti6 h LEU 133 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ti6 h LEU 133 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1ti6 h LEU 133 CO 0.21 0.26 -0.10 0.47 0.09 0.00 0.00 178.44 179.37 1ti6 n ASP 134 N -3.95 0.28 -4.41 -0.43 8.00 0.11 -4.75 116.55 111.39 1ti6 n ASP 134 Ca -0.02 -0.28 -0.35 0.00 0.71 0.00 0.00 54.79 54.85 1ti6 n ASP 134 Cb 0.33 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.14 1ti6 n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ti6 s ASP 135 N -2.62 4.73 0.37 -2.24 -1.08 -0.76 -4.98 116.67 110.09 1ti6 s ASP 135 Ca 0.25 -0.25 0.08 0.00 -0.52 0.00 0.00 52.55 52.11 1ti6 s ASP 135 Cb 0.20 -1.82 0.74 0.00 -1.46 0.00 0.00 42.92 40.58 1ti6 s ASP 135 CO 0.50 0.03 1.91 -0.33 0.52 0.00 0.00 175.17 177.79 1ti6 h GLU 136 N 7.75 0.32 -0.13 4.34 4.39 -1.85 -2.77 114.58 126.63 1ti6 h GLU 136 Ca -0.37 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.29 1ti6 h GLU 136 Cb 1.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ti6 h GLU 136 CO 0.60 0.42 0.11 0.77 -1.16 0.00 0.00 179.01 179.75 1ti6 h SER 137 N 0.30 0.00 -1.23 1.42 0.02 -1.94 -3.36 113.55 108.77 1ti6 h SER 137 Ca 0.06 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.55 1ti6 h SER 137 Cb 0.35 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1ti6 h SER 137 CO 0.02 0.00 1.13 0.86 -1.14 0.00 0.00 176.83 177.70 1ti6 s TRP 138 N -4.89 2.11 0.27 3.45 -0.00 -1.05 -4.85 118.94 113.98 1ti6 s TRP 138 Ca -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 56.10 56.08 1ti6 s TRP 138 Cb 0.17 -4.36 0.51 0.00 -0.00 0.00 0.00 33.47 29.79 1ti6 s TRP 138 CO 0.63 -1.93 1.81 0.00 -0.00 0.00 0.00 176.95 177.46 1ti6 h ALA 139 N 11.09 1.36 -0.42 5.86 0.00 -1.87 -2.56 119.26 132.73 1ti6 h ALA 139 Ca 0.04 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ti6 h ALA 139 Cb 1.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ti6 h ALA 139 CO 1.30 0.10 0.29 -1.35 0.00 0.00 0.00 179.25 179.58 1ti6 h PRO 140 N 0.83 0.16 -5.33 0.00 0.11 -1.94 -3.46 132.00 122.38 1ti6 h PRO 140 Ca 0.46 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 66.15 1ti6 h PRO 140 Cb 0.51 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1ti6 h PRO 140 CO -0.29 0.11 -0.63 1.63 -0.21 0.00 0.00 178.00 178.61 1ti6 n LYS 141 N -4.45 -4.89 -3.68 1.05 5.02 -0.96 -4.97 118.16 105.27 1ti6 n LYS 141 Ca 0.06 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.94 1ti6 n LYS 141 Cb 0.37 -5.54 -0.06 0.00 -0.02 0.00 0.00 35.03 29.78 1ti6 n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ti6 s MET 142 N -6.07 0.96 1.01 1.97 0.23 -1.26 -5.02 119.30 111.13 1ti6 s MET 142 Ca 0.44 -0.59 -0.11 0.00 -1.03 0.00 0.00 55.69 54.40 1ti6 s MET 142 Cb -0.22 0.42 0.20 0.00 -1.53 0.00 0.00 34.83 33.70 1ti6 s MET 142 CO 0.55 -0.35 1.09 -2.14 -2.03 0.00 0.00 175.02 172.14 1ti6 s PRO 143 N -3.21 0.31 0.42 3.16 0.02 -1.26 -4.78 135.00 129.67 1ti6 s PRO 143 Ca -0.01 1.15 0.10 0.00 0.02 0.00 0.00 61.00 62.27 1ti6 s PRO 143 Cb 0.01 -1.67 0.92 0.00 0.02 0.00 0.00 34.50 33.77 1ti6 s PRO 143 CO -0.08 -2.98 2.01 0.00 -0.33 0.00 0.00 177.00 175.62 1ti6 h ARG 144 N -2.11 0.26 0.07 5.54 2.47 -1.93 -2.09 114.38 116.59 1ti6 h ARG 144 Ca -0.51 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.17 1ti6 h ARG 144 Cb 1.30 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1ti6 h ARG 144 CO 0.47 0.28 -0.09 0.00 0.56 0.00 0.00 179.97 181.20 1ti6 h ALA 146 N -1.55 1.21 -0.01 0.00 0.00 -1.92 -1.37 119.26 115.61 1ti6 h ALA 146 Ca -0.01 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1ti6 h ALA 146 Cb 0.14 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ti6 h ALA 146 CO -0.02 -0.34 -0.68 1.25 0.00 0.00 0.00 179.25 179.46 1ti6 h HIS 147 N 0.34 0.07 0.00 0.00 6.17 -1.24 -3.18 115.15 117.31 1ti6 h HIS 147 Ca 0.49 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.54 1ti6 h HIS 147 Cb 0.90 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.81 1ti6 h HIS 147 CO -0.20 0.71 -0.12 -0.91 0.71 0.00 0.00 177.93 178.12 1ti6 h ASN 148 N 0.04 0.00 -2.84 3.26 4.21 0.14 -3.46 115.58 116.92 1ti6 h ASN 148 Ca -0.01 -0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.92 1ti6 h ASN 148 Cb 1.20 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 38.50 1ti6 h ASN 148 CO 0.09 0.00 0.52 0.00 -1.29 0.00 0.00 177.43 176.75 1ti6 n GLY 150 N 1.59 0.79 0.46 0.00 0.00 -1.26 -4.61 105.19 102.15 1ti6 n GLY 150 Ca 0.09 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1ti6 n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ti6 n SER 151 N 0.27 2.55 -3.24 1.61 7.64 -1.26 -5.00 113.62 116.18 1ti6 n SER 151 Ca 0.05 -1.91 -0.23 0.00 1.01 0.00 0.00 58.87 57.79 1ti6 n SER 151 Cb 0.25 -0.15 0.04 0.00 -1.01 0.00 0.00 64.21 63.34 1ti6 n SER 151 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ti6 n PHE 152 N 0.29 -2.17 0.14 1.43 3.01 -1.26 -4.88 117.46 114.01 1ti6 n PHE 152 Ca 0.08 0.65 -0.23 0.00 1.01 0.00 0.00 57.45 58.96 1ti6 n PHE 152 Cb 0.36 -4.42 -0.16 0.00 -0.01 0.00 0.00 39.48 35.25 1ti6 n PHE 152 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ti6 h VAL 153 N -1.67 1.29 -3.32 -4.37 2.07 -1.88 -3.47 116.25 104.89 1ti6 h VAL 153 Ca -0.53 -2.74 -0.56 0.00 0.82 0.00 0.00 66.70 63.69 1ti6 h VAL 153 Cb 1.36 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 34.10 1ti6 h VAL 153 CO 0.57 0.83 -0.12 -0.31 0.02 0.00 0.00 177.57 178.56 1ti6 s TYR 154 N -2.61 3.55 -0.23 1.57 1.51 -1.26 -1.66 117.35 118.22 1ti6 s TYR 154 Ca -0.09 0.95 -0.04 0.00 -1.01 0.00 0.00 57.07 56.89 1ti6 s TYR 154 Cb 0.05 -2.30 0.08 0.00 -0.11 0.00 0.00 41.96 39.67 1ti6 s TYR 154 CO 0.93 0.40 0.08 -2.00 -1.11 0.00 0.00 175.55 173.85 1ti6 s GLU 155 N -2.22 0.36 -0.21 -0.62 2.12 -0.65 -4.99 118.70 112.50 1ti6 s GLU 155 Ca 0.40 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1ti6 s GLU 155 Cb -0.14 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 1ti6 s GLU 155 CO 0.20 -0.79 0.04 0.12 -0.54 0.00 0.00 175.26 174.28 1ti6 s PHE 156 N 1.97 3.10 0.08 5.30 5.36 -1.26 -0.88 117.98 131.65 1ti6 s PHE 156 Ca 0.04 -0.31 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1ti6 s PHE 156 Cb -0.16 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 1ti6 s PHE 156 CO -0.18 -0.18 -0.01 -0.48 -1.46 0.00 0.00 175.22 172.92 1ti6 s LEU 157 N 1.04 2.27 -0.18 6.12 0.05 -0.50 -5.01 118.68 122.47 1ti6 s LEU 157 Ca 0.03 -1.07 -0.01 0.00 0.05 0.00 0.00 54.13 53.14 1ti6 s LEU 157 Cb -0.14 0.20 0.05 0.00 -2.05 0.00 0.00 46.19 44.25 1ti6 s LEU 157 CO 0.02 -0.63 -0.04 -0.75 -0.55 0.00 0.00 176.35 174.41 1ti6 s LYS 158 N -3.95 1.32 0.00 1.48 2.20 -1.26 -0.56 119.74 118.98 1ti6 s LYS 158 Ca 0.13 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1ti6 s LYS 158 Cb 0.08 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 1ti6 s LYS 158 CO -0.06 -0.49 0.00 -2.37 -0.36 0.00 0.00 175.35 172.07 1ti6 n THR 159 N 4.87 0.00 -2.62 3.43 5.66 -0.29 -4.88 114.28 120.46 1ti6 n THR 159 Ca -0.11 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.61 1ti6 n THR 159 Cb 0.47 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1ti6 n THR 159 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ti6 s THR 160 N -2.85 4.90 0.37 1.09 -4.23 -1.26 -0.97 115.64 112.70 1ti6 s THR 160 Ca 0.00 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.78 1ti6 s THR 160 Cb 0.00 -3.87 0.22 0.00 1.34 0.00 0.00 72.50 70.19 1ti6 s THR 160 CO 0.00 -0.86 1.97 -0.65 -0.54 0.00 0.00 174.62 174.55 1ti6 h PRO 161 N 0.22 0.59 0.04 3.99 0.11 -1.95 -1.90 132.00 133.10 1ti6 h PRO 161 Ca -0.47 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ti6 h PRO 161 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ti6 h PRO 161 CO 0.62 0.48 -0.02 0.93 -0.21 0.00 0.00 178.00 179.79 1ti6 h GLU 162 N 0.59 -0.06 -0.50 1.05 3.07 -1.98 0.17 114.58 116.91 1ti6 h GLU 162 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1ti6 h GLU 162 Cb 0.10 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1ti6 h GLU 162 CO -0.02 -0.01 0.27 0.00 -1.40 0.00 0.00 179.01 177.85 1ti6 h ALA 163 N 0.86 0.64 -0.58 3.43 0.00 -1.88 -1.22 119.26 120.51 1ti6 h ALA 163 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ti6 h ALA 163 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ti6 h ALA 163 CO 0.01 0.16 0.26 1.98 0.00 0.00 0.00 179.25 181.66 1ti6 h MET 164 N 0.66 0.85 -0.95 0.00 -1.53 -1.17 -1.65 114.93 111.14 1ti6 h MET 164 Ca 0.17 -0.14 0.03 0.00 -3.44 0.00 0.00 59.70 56.33 1ti6 h MET 164 Cb 0.06 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 30.91 1ti6 h MET 164 CO -0.03 0.71 0.62 0.00 0.14 0.00 0.00 176.91 178.35 1ti6 h ALA 165 N 1.10 1.25 -0.26 0.39 0.00 -0.32 0.15 119.26 121.56 1ti6 h ALA 165 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ti6 h ALA 165 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ti6 h ALA 165 CO -0.02 0.50 0.08 -0.22 0.00 0.00 0.00 179.25 179.59 1ti6 h LYS 166 N 1.20 0.40 -0.60 0.00 3.64 -0.82 -2.14 116.57 118.26 1ti6 h LYS 166 Ca 0.37 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ti6 h LYS 166 Cb -0.01 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1ti6 h LYS 166 CO -0.12 0.48 0.39 -0.22 -2.27 0.00 0.00 179.45 177.71 1ti6 h LYS 167 N 0.25 0.79 -0.52 1.90 3.64 -0.66 -0.36 116.57 121.63 1ti6 h LYS 167 Ca 0.08 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1ti6 h LYS 167 Cb 0.24 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1ti6 h LYS 167 CO -0.00 0.53 0.21 0.28 -2.27 0.00 0.00 179.45 178.20 1ti6 h VAL 168 N 0.81 0.86 0.06 2.00 2.07 -0.54 -0.52 116.25 120.99 1ti6 h VAL 168 Ca 0.22 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1ti6 h VAL 168 Cb -0.08 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1ti6 h VAL 168 CO -0.05 0.07 -0.03 -0.08 0.02 0.00 0.00 177.57 177.51 1ti6 h GLU 169 N 0.41 -0.08 -0.65 1.57 4.81 -0.94 -0.62 114.58 119.07 1ti6 h GLU 169 Ca 0.25 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1ti6 h GLU 169 Cb 0.24 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1ti6 h GLU 169 CO -0.23 0.24 0.36 0.93 -0.73 0.00 0.00 179.01 179.58 1ti6 h GLU 170 N -0.40 0.64 -0.03 1.92 5.08 -0.81 -2.90 114.58 118.08 1ti6 h GLU 170 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ti6 h GLU 170 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ti6 h GLU 170 CO 0.01 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.84 1ti6 n GLU 171 N -4.80 1.98 -2.69 2.33 1.02 -0.23 -4.96 120.64 113.30 1ti6 n GLU 171 Ca 0.08 -1.43 -0.19 0.00 -0.02 0.00 0.00 57.16 55.60 1ti6 n GLU 171 Cb 0.17 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1ti6 n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 172 N 1.26 -0.36 3.75 0.62 0.00 -0.34 -4.87 105.19 105.25 1ti6 n GLY 172 Ca 0.17 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ti6 n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ti6 s LEU 173 N -5.57 3.71 0.22 0.99 1.43 -0.61 -4.81 118.68 114.04 1ti6 s LEU 173 Ca 0.16 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 55.73 1ti6 s LEU 173 Cb -0.07 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 1ti6 s LEU 173 CO 0.20 -1.59 0.09 -1.61 0.23 0.00 0.00 176.35 173.67 1ti6 s GLU 174 N -3.22 1.29 0.30 1.70 2.02 -0.57 -4.90 118.70 115.33 1ti6 s GLU 174 Ca 0.76 -1.68 0.06 0.00 0.02 0.00 0.00 54.97 54.14 1ti6 s GLU 174 Cb -0.33 -0.11 -0.06 0.00 0.10 0.00 0.00 34.13 33.73 1ti6 s GLU 174 CO 0.36 -0.29 -0.04 0.14 0.02 0.00 0.00 175.26 175.45 1ti6 s VAL 175 N -3.85 1.66 0.15 2.63 -7.23 -1.26 -0.32 120.40 112.18 1ti6 s VAL 175 Ca 0.35 -2.10 -0.26 0.00 -1.81 0.00 0.00 61.98 58.16 1ti6 s VAL 175 Cb 0.07 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1ti6 s VAL 175 CO 0.11 -0.21 0.79 -0.63 -0.31 0.00 0.00 175.10 174.85 1ti6 s ILE 176 N -2.99 4.42 -1.27 -0.62 1.01 -1.26 -4.22 121.20 116.27 1ti6 s ILE 176 Ca 0.31 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.55 1ti6 s ILE 176 Cb 0.05 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ti6 s ILE 176 CO 0.13 0.48 0.59 0.29 0.00 0.00 0.00 174.94 176.44 1ti6 n LYS 177 N 1.87 -1.74 -0.18 2.79 5.02 -1.26 -4.86 118.16 119.81 1ti6 n LYS 177 Ca -0.04 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.67 1ti6 n LYS 177 Cb 0.49 -3.93 0.39 0.00 -0.02 0.00 0.00 35.03 31.96 1ti6 n LYS 177 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ti6 h PRO 178 N -2.01 0.65 -0.32 1.97 0.11 -2.02 -2.45 132.00 127.93 1ti6 h PRO 178 Ca -0.66 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.50 1ti6 h PRO 178 Cb 1.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ti6 h PRO 178 CO 0.55 0.43 0.40 1.05 -0.21 0.00 0.00 178.00 180.22 1ti6 h GLU 179 N 0.67 0.00 0.00 1.05 9.09 -1.96 0.32 114.58 123.76 1ti6 h GLU 179 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1ti6 h GLU 179 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1ti6 h GLU 179 CO -0.11 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 178.88 1ti6 h LEU 180 N 0.00 0.00 1.45 3.06 3.38 -1.81 -3.47 115.31 117.93 1ti6 h LEU 180 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 1ti6 h LEU 180 Cb 0.95 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1ti6 h LEU 180 CO -0.00 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.79 1ti6 n GLY 181 N 0.56 0.75 0.22 0.83 0.00 0.10 -4.89 105.19 102.76 1ti6 n GLY 181 Ca 0.03 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1ti6 n GLY 181 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ti6 h THR 182 N 0.00 0.07 -5.26 2.61 1.35 -1.80 -3.44 112.91 106.44 1ti6 h THR 182 Ca -0.35 -1.05 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1ti6 h THR 182 Cb 1.15 1.98 0.03 0.00 -1.73 0.00 0.00 68.15 69.58 1ti6 h THR 182 CO 0.46 0.04 -0.12 0.29 -0.25 0.00 0.00 175.52 175.95 1ti6 n LYS 183 N -3.11 -1.38 -1.44 4.72 5.02 -1.26 -0.29 118.16 120.42 1ti6 n LYS 183 Ca 0.03 1.36 -0.35 0.00 -2.02 0.00 0.00 58.31 57.33 1ti6 n LYS 183 Cb 0.52 -5.56 0.10 0.00 -0.02 0.00 0.00 35.03 30.07 1ti6 n LYS 183 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ti6 n PRO 184 N -1.94 0.68 -0.20 1.97 -0.02 -1.26 -0.05 135.00 134.18 1ti6 n PRO 184 Ca -0.01 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1ti6 n PRO 184 Cb 0.52 -2.49 0.19 0.00 -0.02 0.00 0.00 33.50 31.70 1ti6 n PRO 184 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ti6 n ARG 185 N -2.54 2.50 -3.69 -0.52 1.85 -0.55 -4.78 116.66 108.93 1ti6 n ARG 185 Ca 0.15 -2.12 -0.39 0.00 -1.00 0.00 0.00 57.85 54.49 1ti6 n ARG 185 Cb 0.49 -1.37 -0.12 0.00 -1.05 0.00 0.00 32.46 30.41 1ti6 n ARG 185 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ti6 s VAL 186 N -1.07 4.24 0.24 8.89 1.01 -1.24 -1.89 120.40 130.57 1ti6 s VAL 186 Ca 0.30 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1ti6 s VAL 186 Cb 0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1ti6 s VAL 186 CO 0.22 -0.08 0.21 -0.31 0.00 0.00 0.00 175.10 175.14 1ti6 s TYR 187 N 1.52 3.17 -0.03 5.22 1.51 0.15 -4.75 117.35 124.14 1ti6 s TYR 187 Ca 0.02 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1ti6 s TYR 187 Cb -0.18 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1ti6 s TYR 187 CO 0.05 0.51 -0.19 0.71 -1.11 0.00 0.00 175.55 175.51 1ti6 s TYR 188 N -2.05 1.83 -0.06 2.71 2.02 0.57 0.16 117.35 122.51 1ti6 s TYR 188 Ca 0.33 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1ti6 s TYR 188 Cb -0.08 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 1ti6 s TYR 188 CO 0.25 -0.11 0.02 0.21 -1.57 0.00 0.00 175.55 174.36 1ti6 s LYS 189 N -0.23 2.98 -1.52 -0.62 2.20 0.91 -1.51 119.74 121.96 1ti6 s LYS 189 Ca 0.02 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1ti6 s LYS 189 Cb -0.10 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1ti6 s LYS 189 CO 0.01 0.69 0.51 0.09 -0.36 0.00 0.00 175.35 176.29 1ti6 n ASN 190 N 1.88 -5.64 0.31 1.43 3.02 -1.26 -1.85 115.26 113.16 1ti6 n ASN 190 Ca -0.17 -0.26 0.18 0.00 -0.03 0.00 0.00 54.58 54.29 1ti6 n ASN 190 Cb 0.53 -4.59 1.01 0.00 -0.61 0.00 0.00 39.78 36.12 1ti6 n ASN 190 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ti6 h LEU 191 N -1.14 0.00 -2.21 3.41 5.85 -1.92 -2.29 115.31 117.01 1ti6 h LEU 191 Ca -0.50 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1ti6 h LEU 191 Cb 1.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1ti6 h LEU 191 CO 0.56 0.01 0.15 0.10 -0.34 0.00 0.00 178.44 178.92 1ti6 h TYR 192 N 0.00 0.00 -0.59 1.25 -0.00 -1.96 -1.01 116.97 114.66 1ti6 h TYR 192 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 1ti6 h TYR 192 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.73 1ti6 h TYR 192 CO 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 178.16 178.55 1ti6 h ARG 193 N 0.00 0.75 0.07 0.10 2.47 -1.74 0.56 114.38 116.60 1ti6 h ARG 193 Ca 0.07 -0.05 -0.38 0.00 -1.26 0.00 0.00 59.98 58.37 1ti6 h ARG 193 Cb 0.37 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1ti6 h ARG 193 CO -0.00 0.50 -2.19 0.34 0.56 0.00 0.00 179.97 179.17 1ti6 n PHE 194 N -4.45 0.76 0.06 3.04 7.35 -0.48 -4.62 117.46 119.11 1ti6 n PHE 194 Ca 0.06 0.16 0.08 0.00 -0.76 0.00 0.00 57.45 56.99 1ti6 n PHE 194 Cb 0.07 -1.10 -0.06 0.00 0.35 0.00 0.00 39.48 38.74 1ti6 n PHE 194 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ti6 n GLU 195 N -3.39 0.62 -1.47 -4.13 1.02 -0.61 -4.99 120.64 107.70 1ti6 n GLU 195 Ca -0.38 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 56.82 1ti6 n GLU 195 Cb 1.03 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1ti6 n GLU 195 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ti6 n LYS 196 N -2.64 1.28 -4.29 3.49 4.76 0.18 -5.04 118.16 115.90 1ti6 n LYS 196 Ca -0.04 -0.22 -0.17 0.00 -2.87 0.00 0.00 58.31 55.01 1ti6 n LYS 196 Cb 0.64 0.01 -0.09 0.00 -1.84 0.00 0.00 35.03 33.75 1ti6 n LYS 196 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1ti6 s ASN 197 N -1.22 1.17 0.23 4.39 0.01 -1.10 -4.86 114.94 113.56 1ti6 s ASN 197 Ca 0.03 -1.53 0.01 0.00 -0.71 0.00 0.00 52.86 50.65 1ti6 s ASN 197 Cb -0.00 0.40 -0.04 0.00 0.41 0.00 0.00 41.25 42.02 1ti6 s ASN 197 CO 0.02 -0.89 0.15 -0.72 -1.51 0.00 0.00 177.10 174.15 1ti6 s TYR 198 N -3.74 1.32 -0.02 2.20 -0.85 -1.26 -1.16 117.35 113.84 1ti6 s TYR 198 Ca 0.38 -1.41 0.03 0.00 -0.52 0.00 0.00 57.07 55.55 1ti6 s TYR 198 Cb 0.05 -0.63 -0.00 0.00 0.38 0.00 0.00 41.96 41.75 1ti6 s TYR 198 CO 0.17 -0.65 -0.11 0.54 -1.52 0.00 0.00 175.55 173.99 1ti6 s VAL 199 N -3.97 0.91 0.15 -3.49 0.11 -0.90 -0.34 120.40 112.87 1ti6 s VAL 199 Ca 0.39 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 1ti6 s VAL 199 Cb 0.06 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1ti6 s VAL 199 CO 0.15 0.27 0.30 0.28 -3.33 0.00 0.00 175.10 172.76 1ti6 s THR 200 N -0.07 0.08 0.09 5.04 -1.32 0.02 -1.73 115.64 117.75 1ti6 s THR 200 Ca 0.01 -1.21 -0.26 0.00 -1.21 0.00 0.00 61.69 59.01 1ti6 s THR 200 Cb -0.07 -1.64 0.09 0.00 -1.51 0.00 0.00 72.50 69.37 1ti6 s THR 200 CO 0.00 -0.36 1.12 0.00 -2.21 0.00 0.00 174.62 173.17 1ti6 s ALA 201 N -3.92 -1.92 -0.10 11.08 0.00 -1.20 -0.41 121.76 125.29 1ti6 s ALA 201 Ca 0.12 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1ti6 s ALA 201 Cb 0.03 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1ti6 s ALA 201 CO -0.04 -1.06 -0.14 0.20 0.00 0.00 0.00 175.76 174.72 1ti6 s GLY 202 N -3.16 0.97 -0.16 0.00 0.00 -0.83 -2.87 107.32 101.29 1ti6 s GLY 202 Ca 0.17 -0.65 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 1ti6 s GLY 202 CO 0.01 0.23 0.27 -0.42 0.00 0.00 0.00 173.10 173.19 1ti6 s ILE 203 N 0.95 5.32 -0.03 0.90 1.09 0.18 -0.49 121.20 129.12 1ti6 s ILE 203 Ca -0.08 0.50 0.07 0.00 -1.10 0.00 0.00 60.65 60.05 1ti6 s ILE 203 Cb -0.15 -3.61 -0.02 0.00 -1.06 0.00 0.00 42.46 37.63 1ti6 s ILE 203 CO -0.01 0.41 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.24 1ti6 s LEU 204 N 0.35 2.05 -0.15 2.97 1.43 -0.44 -0.99 118.68 123.89 1ti6 s LEU 204 Ca 0.16 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ti6 s LEU 204 Cb -0.13 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1ti6 s LEU 204 CO 0.03 0.28 -0.10 -0.69 0.23 0.00 0.00 176.35 176.11 1ti6 s VAL 205 N -0.45 1.35 -1.47 -1.59 1.01 -0.34 0.64 120.40 119.55 1ti6 s VAL 205 Ca 0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1ti6 s VAL 205 Cb -0.11 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 34.95 1ti6 s VAL 205 CO 0.00 0.31 0.90 0.00 0.00 0.00 0.00 175.10 176.31 1ti6 n GLN 206 N 4.82 -5.34 -0.15 2.72 6.02 -1.11 -2.35 117.38 121.98 1ti6 n GLN 206 Ca -0.14 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1ti6 n GLN 206 Cb 0.49 -5.39 0.00 0.00 1.02 0.00 0.00 30.24 26.36 1ti6 n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 207 N -1.68 2.00 3.38 1.08 0.00 -1.26 -5.03 105.19 103.67 1ti6 n GLY 207 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1ti6 n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ti6 s ASP 208 N -3.41 3.19 0.11 1.61 1.01 -0.99 -5.07 116.67 113.12 1ti6 s ASP 208 Ca 0.00 -0.76 -0.33 0.00 0.71 0.00 0.00 52.55 52.17 1ti6 s ASP 208 Cb 0.00 -0.21 -0.13 0.00 1.01 0.00 0.00 42.92 43.59 1ti6 s ASP 208 CO 0.00 0.15 1.70 0.00 0.21 0.00 0.00 175.17 177.22 1ti6 s PHE 210 N 1.88 3.19 -0.01 0.00 5.36 -0.16 -4.73 117.98 123.51 1ti6 s PHE 210 Ca 0.82 -0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 56.68 1ti6 s PHE 210 Cb -0.63 -2.33 -0.05 0.00 -0.34 0.00 0.00 43.02 39.67 1ti6 s PHE 210 CO 0.40 -0.19 0.31 -2.00 -1.46 0.00 0.00 175.22 172.28 1ti6 s GLU 211 N 1.64 3.68 0.00 10.12 2.12 -1.26 -3.94 118.70 131.07 1ti6 s GLU 211 Ca 0.07 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1ti6 s GLU 211 Cb -0.16 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1ti6 s GLU 211 CO 0.08 0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.89 1ti6 n GLY 212 N 1.46 0.65 3.75 -1.50 0.00 -0.53 -4.95 105.19 104.07 1ti6 n GLY 212 Ca -0.13 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1ti6 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 s ALA 213 N -2.00 3.39 -0.14 4.61 0.00 -1.26 -4.75 121.76 121.61 1ti6 s ALA 213 Ca 0.00 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 1ti6 s ALA 213 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1ti6 s ALA 213 CO 0.00 -0.13 0.69 0.15 0.00 0.00 0.00 175.76 176.48 1ti6 s LYS 214 N -1.13 4.32 -0.06 0.00 1.02 -0.62 -1.78 119.74 121.49 1ti6 s LYS 214 Ca 0.45 0.79 0.05 0.00 0.02 0.00 0.00 55.97 57.28 1ti6 s LYS 214 Cb -0.31 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1ti6 s LYS 214 CO 0.38 -0.13 -0.22 0.08 -0.92 0.00 0.00 175.35 174.55 1ti6 s VAL 215 N 1.49 1.83 -0.04 3.17 1.01 0.10 -1.11 120.40 126.85 1ti6 s VAL 215 Ca 0.34 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1ti6 s VAL 215 Cb -0.17 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1ti6 s VAL 215 CO 0.14 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 1ti6 s VAL 216 N 0.06 1.32 -0.18 2.92 1.01 -0.05 -0.63 120.40 124.84 1ti6 s VAL 216 Ca -0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1ti6 s VAL 216 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1ti6 s VAL 216 CO 0.04 0.39 0.04 -0.22 0.00 0.00 0.00 175.10 175.35 1ti6 s LEU 217 N 0.14 3.60 0.10 3.92 2.96 0.88 -1.05 118.68 129.23 1ti6 s LEU 217 Ca -0.05 -0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1ti6 s LEU 217 Cb -0.12 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1ti6 s LEU 217 CO 0.02 0.14 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.45 1ti6 s LYS 218 N 0.55 1.11 -0.05 1.98 1.02 0.08 0.13 119.74 124.56 1ti6 s LYS 218 Ca 0.01 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 54.83 1ti6 s LYS 218 Cb -0.13 -1.35 0.03 0.00 -0.52 0.00 0.00 37.83 35.85 1ti6 s LYS 218 CO 0.02 0.31 0.04 -1.54 -0.92 0.00 0.00 175.35 173.26 1ti6 s SER 219 N -1.93 1.20 0.00 2.83 1.04 -0.51 -0.51 113.70 115.81 1ti6 s SER 219 Ca 0.06 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1ti6 s SER 219 Cb -0.10 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1ti6 s SER 219 CO 0.04 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1ti6 n GLY 220 N 5.15 0.25 0.00 7.32 0.00 -1.26 -2.36 105.19 114.28 1ti6 n GLY 220 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ti6 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 221 N -0.93 0.50 3.76 -0.02 0.00 -1.26 -5.09 105.19 102.15 1ti6 n GLY 221 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ti6 n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s LYS 222 N -0.74 3.03 0.13 1.61 -2.85 -1.00 -5.03 119.74 114.89 1ti6 s LYS 222 Ca 0.00 -0.47 -0.31 0.00 -1.00 0.00 0.00 55.97 54.18 1ti6 s LYS 222 Cb 0.00 -2.84 -0.09 0.00 -2.06 0.00 0.00 37.83 32.84 1ti6 s LYS 222 CO 0.00 0.66 1.48 -2.00 0.10 0.00 0.00 175.35 175.59 1ti6 s GLU 223 N -1.56 4.27 -0.01 1.78 2.12 -1.26 -1.43 118.70 122.61 1ti6 s GLU 223 Ca 0.21 2.21 0.09 0.00 0.36 0.00 0.00 54.97 57.84 1ti6 s GLU 223 Cb -0.12 -3.24 -0.14 0.00 0.26 0.00 0.00 34.13 30.90 1ti6 s GLU 223 CO 0.11 -0.53 0.23 0.28 -0.54 0.00 0.00 175.26 174.81 1ti6 n VAL 224 N 4.03 0.00 -3.59 3.70 0.31 0.12 -4.93 118.33 117.97 1ti6 n VAL 224 Ca 0.13 -0.22 -0.05 0.00 -0.01 0.00 0.00 64.34 64.18 1ti6 n VAL 224 Cb 0.41 0.41 -0.03 0.00 -0.91 0.00 0.00 33.84 33.72 1ti6 n VAL 224 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ti6 s ALA 225 N -2.51 -2.03 0.06 3.52 0.00 -1.15 -4.99 121.76 114.65 1ti6 s ALA 225 Ca -0.02 1.58 -0.12 0.00 0.00 0.00 0.00 51.96 53.39 1ti6 s ALA 225 Cb 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1ti6 s ALA 225 CO 0.38 -0.52 0.26 -1.54 0.00 0.00 0.00 175.76 174.34 1ti6 s SER 226 N -1.92 -0.05 0.05 0.00 1.04 -1.26 -0.08 113.70 111.49 1ti6 s SER 226 Ca 0.07 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 55.89 1ti6 s SER 226 Cb -0.01 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.55 1ti6 s SER 226 CO -0.05 -0.64 1.02 0.00 0.98 0.00 0.00 173.24 174.55 1ti6 s ALA 227 N -2.92 -1.84 -0.04 5.32 0.00 0.19 -5.00 121.76 117.47 1ti6 s ALA 227 Ca -0.02 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1ti6 s ALA 227 Cb 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1ti6 s ALA 227 CO -0.06 -0.91 -0.18 -1.21 0.00 0.00 0.00 175.76 173.40 1ti6 s GLU 228 N -3.01 2.38 0.50 0.00 2.02 -1.26 0.03 118.70 119.37 1ti6 s GLU 228 Ca 0.10 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 54.10 1ti6 s GLU 228 Cb -0.00 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.89 1ti6 s GLU 228 CO -0.02 0.60 1.27 0.95 0.02 0.00 0.00 175.26 178.08 1ti6 s THR 229 N -0.69 2.56 0.00 3.63 -4.23 -0.73 -4.82 115.64 111.36 1ti6 s THR 229 Ca 0.11 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1ti6 s THR 229 Cb -0.10 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1ti6 s THR 229 CO 0.00 0.00 0.00 -0.46 -0.54 0.00 0.00 174.62 173.62 1ti6 n ASN 230 N -0.69 0.00 0.00 3.99 0.23 -0.77 -1.46 115.26 116.56 1ti6 n ASN 230 Ca 0.08 -0.93 0.08 0.00 -0.53 0.00 0.00 54.58 53.29 1ti6 n ASN 230 Cb 0.46 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.61 1ti6 n ASN 230 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1ti6 n PHE 231 N -1.74 0.00 0.23 -2.53 -1.74 -1.26 -0.61 117.46 109.80 1ti6 n PHE 231 Ca 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.00 1ti6 n PHE 231 Cb 0.00 -0.19 0.21 0.00 1.52 0.00 0.00 39.48 41.02 1ti6 n PHE 231 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1ti6 n PHE 232 N -1.19 0.51 -1.13 2.97 3.01 -1.26 -4.77 117.46 115.59 1ti6 n PHE 232 Ca 0.10 -0.27 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 1ti6 n PHE 232 Cb 0.11 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 1ti6 n PHE 232 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ti6 n GLY 233 N 1.41 0.69 3.94 1.37 0.00 0.22 -4.57 105.19 108.25 1ti6 n GLY 233 Ca 0.19 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1ti6 n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 234 N -1.84 3.46 0.06 1.61 2.02 -1.26 0.51 118.70 123.27 1ti6 s GLU 234 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 1ti6 s GLU 234 Cb 0.00 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1ti6 s GLU 234 CO 0.00 0.47 0.07 -0.59 0.02 0.00 0.00 175.26 175.23 1ti6 s PHE 235 N -1.82 0.31 -0.24 1.61 -0.12 -1.14 -1.85 117.98 114.74 1ti6 s PHE 235 Ca 0.36 -0.74 -0.05 0.00 -0.05 0.00 0.00 56.93 56.44 1ti6 s PHE 235 Cb -0.11 -0.21 0.12 0.00 -0.63 0.00 0.00 43.02 42.19 1ti6 s PHE 235 CO 0.29 -0.42 0.47 0.21 -0.05 0.00 0.00 175.22 175.72 1ti6 s LYS 236 N -3.42 0.40 -0.40 1.99 2.20 -1.26 -3.21 119.74 116.04 1ti6 s LYS 236 Ca 0.02 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 56.47 1ti6 s LYS 236 Cb 0.04 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1ti6 s LYS 236 CO -0.08 -0.40 0.26 -0.06 -0.36 0.00 0.00 175.35 174.70 1ti6 s PHE 237 N 2.67 3.25 0.32 4.03 2.99 -0.70 -4.97 117.98 125.57 1ti6 s PHE 237 Ca 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 56.93 56.19 1ti6 s PHE 237 Cb -0.13 -2.56 0.05 0.00 0.00 0.00 0.00 43.02 40.37 1ti6 s PHE 237 CO -0.16 -0.65 0.43 -3.47 -0.00 0.00 0.00 175.22 171.38 1ti6 n ASP 238 N 5.07 1.24 -3.32 1.36 -0.08 -1.26 -2.11 116.55 117.45 1ti6 n ASP 238 Ca -0.11 -1.88 -0.24 0.00 -1.51 0.00 0.00 54.79 51.05 1ti6 n ASP 238 Cb 0.46 -0.22 0.04 0.00 2.34 0.00 0.00 41.12 43.74 1ti6 n ASP 238 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ti6 n ALA 239 N -2.61 -1.11 -2.57 -1.67 0.00 -1.13 -4.92 120.51 106.52 1ti6 n ALA 239 Ca -0.08 0.28 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 1ti6 n ALA 239 Cb 0.34 -4.23 -0.06 0.00 0.00 0.00 0.00 19.45 15.50 1ti6 n ALA 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ti6 s LEU 240 N -6.89 4.45 0.54 0.00 1.43 -0.31 -4.87 118.68 113.03 1ti6 s LEU 240 Ca 0.43 0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1ti6 s LEU 240 Cb -0.20 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1ti6 s LEU 240 CO 0.53 0.31 0.84 -1.81 0.23 0.00 0.00 176.35 176.45 1ti6 s ASP 241 N -0.92 5.82 0.60 2.29 1.01 -1.26 -2.72 116.67 121.49 1ti6 s ASP 241 Ca 0.22 0.72 -0.19 0.00 0.71 0.00 0.00 52.55 54.01 1ti6 s ASP 241 Cb -0.16 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 1ti6 s ASP 241 CO 0.12 -0.88 1.27 0.20 0.21 0.00 0.00 175.17 176.09 1ti6 s ASN 242 N -4.24 5.00 0.00 0.27 0.01 -1.26 -4.85 114.94 109.87 1ti6 s ASN 242 Ca 0.51 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 55.22 1ti6 s ASN 242 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1ti6 s ASN 242 CO 0.44 -1.74 0.00 0.61 -1.51 0.00 0.00 177.10 174.90 1ti6 n GLY 243 N 0.71 0.43 3.82 0.66 0.00 -0.15 -4.97 105.19 105.70 1ti6 n GLY 243 Ca 0.14 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1ti6 n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ti6 s GLU 244 N -1.68 3.20 0.16 1.61 2.12 -1.26 -0.58 118.70 122.26 1ti6 s GLU 244 Ca 0.00 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1ti6 s GLU 244 Cb 0.00 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1ti6 s GLU 244 CO 0.00 0.66 0.07 0.71 -0.54 0.00 0.00 175.26 176.16 1ti6 s TYR 245 N -1.23 1.00 -0.06 5.30 1.51 0.23 -4.62 117.35 119.48 1ti6 s TYR 245 Ca 0.24 -1.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 1ti6 s TYR 245 Cb -0.12 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1ti6 s TYR 245 CO 0.15 -0.50 -0.15 0.99 -1.11 0.00 0.00 175.55 174.93 1ti6 s THR 246 N -4.01 1.30 -0.19 -0.71 2.01 0.33 -0.59 115.64 113.79 1ti6 s THR 246 Ca 0.28 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1ti6 s THR 246 Cb 0.07 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1ti6 s THR 246 CO 0.05 0.39 0.01 -0.69 -0.69 0.00 0.00 174.62 173.69 1ti6 s VAL 247 N 0.34 4.20 -0.12 3.82 1.01 0.41 -0.75 120.40 129.32 1ti6 s VAL 247 Ca -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1ti6 s VAL 247 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1ti6 s VAL 247 CO 0.03 0.44 -0.18 -1.61 0.00 0.00 0.00 175.10 173.79 1ti6 s GLU 248 N 0.72 3.22 -0.02 2.72 2.02 -0.22 -1.85 118.70 125.29 1ti6 s GLU 248 Ca 0.01 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.28 1ti6 s GLU 248 Cb -0.14 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 1ti6 s GLU 248 CO 0.02 0.18 -0.20 0.42 0.02 0.00 0.00 175.26 175.70 1ti6 s ILE 249 N 0.39 1.58 -0.17 -1.63 1.01 0.17 -0.87 121.20 121.68 1ti6 s ILE 249 Ca -0.14 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1ti6 s ILE 249 Cb -0.17 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.03 1ti6 s ILE 249 CO 0.07 0.45 0.02 -0.62 0.00 0.00 0.00 174.94 174.85 1ti6 s ASP 250 N -0.35 2.73 -0.03 3.58 -1.08 -0.26 -1.02 116.67 120.23 1ti6 s ASP 250 Ca 0.05 -0.71 0.01 0.00 -0.52 0.00 0.00 52.55 51.38 1ti6 s ASP 250 Cb -0.09 -0.62 0.02 0.00 -1.46 0.00 0.00 42.92 40.77 1ti6 s ASP 250 CO 0.00 -0.27 -0.03 0.00 0.52 0.00 0.00 175.17 175.39 1ti6 s ALA 251 N 1.84 0.52 -1.38 3.66 0.00 0.85 -1.59 121.76 125.66 1ti6 s ALA 251 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1ti6 s ALA 251 Cb -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1ti6 s ALA 251 CO -0.07 -0.01 0.00 -0.25 0.00 0.00 0.00 175.76 175.42 1ti6 n ASP 252 N 3.95 -4.35 0.00 0.00 8.00 -1.26 0.11 116.55 123.00 1ti6 n ASP 252 Ca -0.25 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1ti6 n ASP 252 Cb 0.51 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1ti6 n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 253 N -0.69 2.51 3.74 0.44 0.00 -1.26 -4.99 105.19 104.94 1ti6 n GLY 253 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1ti6 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 254 N -0.15 4.43 0.26 1.61 1.02 0.30 -5.07 119.74 122.15 1ti6 s LYS 254 Ca 0.00 0.93 0.09 0.00 0.02 0.00 0.00 55.97 57.01 1ti6 s LYS 254 Cb 0.00 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1ti6 s LYS 254 CO 0.00 0.22 0.01 -1.54 -0.92 0.00 0.00 175.35 173.12 1ti6 s SER 255 N 0.24 4.64 -0.17 2.83 1.04 -1.26 -0.11 113.70 120.91 1ti6 s SER 255 Ca 0.37 -0.60 -0.23 0.00 0.48 0.00 0.00 55.95 55.97 1ti6 s SER 255 Cb -0.19 -0.90 0.06 0.00 0.10 0.00 0.00 66.02 65.09 1ti6 s SER 255 CO 0.20 0.00 0.61 -0.47 0.98 0.00 0.00 173.24 174.56 1ti6 s TYR 256 N -2.26 -0.63 -0.00 5.02 5.04 -0.19 -4.99 117.35 119.32 1ti6 s TYR 256 Ca 0.31 1.42 -0.18 0.00 -2.44 0.00 0.00 57.07 56.18 1ti6 s TYR 256 Cb -0.07 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.54 1ti6 s TYR 256 CO 0.20 -0.40 0.39 -1.54 -1.34 0.00 0.00 175.55 172.87 1ti6 s SER 257 N -0.17 -0.29 0.12 4.32 1.04 -1.26 0.43 113.70 117.90 1ti6 s SER 257 Ca -0.04 0.16 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 1ti6 s SER 257 Cb -0.03 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1ti6 s SER 257 CO 0.03 -0.53 0.79 -0.62 0.98 0.00 0.00 173.24 173.89 1ti6 s ASP 258 N -1.49 -0.37 0.35 7.02 2.15 -0.77 -4.99 116.67 118.57 1ti6 s ASP 258 Ca -0.11 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 52.74 1ti6 s ASP 258 Cb -0.03 0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 1ti6 s ASP 258 CO 0.03 -0.89 0.51 0.42 -0.17 0.00 0.00 175.17 175.07 1ti6 s THR 259 N -3.46 4.27 -0.18 1.71 -4.23 -1.26 -0.45 115.64 112.04 1ti6 s THR 259 Ca 0.06 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.59 1ti6 s THR 259 Cb -0.02 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.36 1ti6 s THR 259 CO -0.06 -0.25 0.46 0.54 -0.54 0.00 0.00 174.62 174.78 1ti6 s VAL 260 N -2.25 -0.01 -0.21 2.29 0.11 0.24 -4.90 120.40 115.67 1ti6 s VAL 260 Ca 0.44 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.46 1ti6 s VAL 260 Cb -0.10 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1ti6 s VAL 260 CO 0.33 0.01 0.01 -0.69 -3.33 0.00 0.00 175.10 171.43 1ti6 s VAL 261 N 0.64 4.02 -0.35 2.04 1.01 -1.26 -0.60 120.40 125.90 1ti6 s VAL 261 Ca -0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1ti6 s VAL 261 Cb -0.05 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1ti6 s VAL 261 CO -0.04 0.41 0.19 -0.63 0.00 0.00 0.00 175.10 175.03 1ti6 s ILE 262 N 1.10 4.67 -0.52 2.22 -1.09 0.25 -4.93 121.20 122.90 1ti6 s ILE 262 Ca 0.03 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1ti6 s ILE 262 Cb -0.14 -3.50 0.22 0.00 -1.58 0.00 0.00 42.46 37.45 1ti6 s ILE 262 CO 0.02 -0.10 0.54 -0.67 -1.23 0.00 0.00 174.94 173.49 1ti6 n ASP 263 N 5.01 1.49 -2.05 3.58 2.03 -1.26 -0.97 116.55 124.38 1ti6 n ASP 263 Ca -0.13 -2.92 -0.20 0.00 0.52 0.00 0.00 54.79 52.06 1ti6 n ASP 263 Cb 0.48 -0.65 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 1ti6 n ASP 263 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ti6 n ASP 264 N 1.67 -5.69 -3.86 1.67 8.00 -1.26 -4.96 116.55 112.12 1ti6 n ASP 264 Ca 0.25 0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.81 1ti6 n ASP 264 Cb 0.46 -4.80 -0.10 0.00 -0.02 0.00 0.00 41.12 36.66 1ti6 n ASP 264 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ti6 s LYS 265 N -4.55 0.53 0.10 -1.24 1.02 -1.26 -5.06 119.74 109.28 1ti6 s LYS 265 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1ti6 s LYS 265 Cb 0.00 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1ti6 s LYS 265 CO 0.00 -0.13 0.30 -1.12 -0.92 0.00 0.00 175.35 173.47 1ti6 s SER 266 N -1.48 6.44 -0.04 2.83 0.01 -1.26 -4.61 113.70 115.58 1ti6 s SER 266 Ca -0.13 0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.65 1ti6 s SER 266 Cb -0.06 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1ti6 s SER 266 CO 0.01 0.12 -0.25 -0.69 0.41 0.00 0.00 173.24 172.84 1ti6 s VAL 267 N -1.56 2.10 -0.26 3.43 1.01 0.54 -4.07 120.40 121.59 1ti6 s VAL 267 Ca 0.37 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ti6 s VAL 267 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1ti6 s VAL 267 CO 0.25 0.58 -0.00 -0.62 0.00 0.00 0.00 175.10 175.30 1ti6 s ASP 268 N -0.41 4.64 0.00 3.32 2.15 -1.26 -0.80 116.67 124.31 1ti6 s ASP 268 Ca 0.04 -0.75 0.32 0.00 0.43 0.00 0.00 52.55 52.59 1ti6 s ASP 268 Cb -0.12 -1.76 1.82 0.00 -0.30 0.00 0.00 42.92 42.57 1ti6 s ASP 268 CO 0.01 -0.14 2.18 0.18 -0.17 0.00 0.00 175.17 177.24 1ti6 n LEU 269 N 4.76 0.11 0.00 -1.34 4.77 0.45 -4.98 117.00 120.77 1ti6 n LEU 269 Ca -0.16 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1ti6 n LEU 269 Cb 0.48 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ti6 n LEU 269 CO 0.29 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1ti6 n GLY 270 N 1.03 -0.20 3.70 -0.72 0.00 -1.26 -4.70 105.19 103.04 1ti6 n GLY 270 Ca 0.23 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1ti6 n GLY 270 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti6 s PHE 271 N 0.00 3.57 -0.45 1.61 0.40 -1.26 -1.96 117.98 119.89 1ti6 s PHE 271 Ca 0.00 1.53 -0.11 0.00 -0.60 0.00 0.00 56.93 57.75 1ti6 s PHE 271 Cb 0.00 -3.07 0.09 0.00 0.51 0.00 0.00 43.02 40.55 1ti6 s PHE 271 CO 0.00 -0.09 0.33 0.42 0.70 0.00 0.00 175.22 176.58 1ti6 s ILE 272 N 1.45 4.54 -0.65 0.64 1.01 0.35 -4.96 121.20 123.58 1ti6 s ILE 272 Ca 0.47 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 1ti6 s ILE 272 Cb -0.19 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1ti6 s ILE 272 CO 0.21 -0.62 1.05 -0.54 0.00 0.00 0.00 174.94 175.04 1ti6 s LYS 273 N 1.47 3.20 0.00 2.79 1.02 -1.26 -1.33 119.74 125.63 1ti6 s LYS 273 Ca 0.04 -0.50 0.19 0.00 0.02 0.00 0.00 55.97 55.72 1ti6 s LYS 273 Cb -0.25 -4.17 0.15 0.00 -0.52 0.00 0.00 37.83 33.05 1ti6 s LYS 273 CO 0.02 -1.83 1.11 1.28 -0.92 0.00 0.00 175.35 175.02