#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og6 n VAL 2 N 0.00 1.04 -1.06 4.08 3.14 -0.76 -4.90 118.33 119.88 1og6 n VAL 2 Ca 0.00 -0.26 -0.33 0.00 -2.96 0.00 0.00 64.34 60.79 1og6 n VAL 2 Cb 0.00 -0.81 0.13 0.00 -1.06 0.00 0.00 33.84 32.10 1og6 n VAL 2 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1og6 s GLN 3 N -0.53 1.58 -0.13 1.45 -1.52 -1.26 -4.84 119.66 114.41 1og6 s GLN 3 Ca 0.71 1.66 -0.05 0.00 -1.95 0.00 0.00 55.36 55.73 1og6 s GLN 3 Cb -0.85 -1.78 -0.04 0.00 -0.22 0.00 0.00 33.01 30.13 1og6 s GLN 3 CO 0.53 -2.24 0.06 1.03 -0.25 0.00 0.00 175.29 174.43 1og6 s ARG 4 N -4.30 3.45 -0.01 2.91 1.81 -1.26 -1.97 118.95 119.59 1og6 s ARG 4 Ca 0.71 -0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.43 1og6 s ARG 4 Cb -0.26 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 1og6 s ARG 4 CO 0.52 0.59 -0.05 -1.50 -0.68 0.00 0.00 175.30 174.18 1og6 s ILE 5 N -0.52 0.39 -0.49 1.52 2.07 -0.84 -4.89 121.20 118.44 1og6 s ILE 5 Ca 0.10 -0.18 -0.21 0.00 -1.41 0.00 0.00 60.65 58.96 1og6 s ILE 5 Cb -0.12 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.16 1og6 s ILE 5 CO 0.02 0.13 0.70 -0.89 -1.91 0.00 0.00 174.94 172.99 1og6 s THR 6 N 0.09 4.75 -0.52 4.00 2.01 -1.26 -0.93 115.64 123.78 1og6 s THR 6 Ca -0.01 -0.12 0.13 0.00 0.31 0.00 0.00 61.69 62.01 1og6 s THR 6 Cb -0.04 -4.32 0.13 0.00 0.01 0.00 0.00 72.50 68.28 1og6 s THR 6 CO -0.00 -0.81 1.41 2.30 -0.69 0.00 0.00 174.62 176.83 1og6 n ILE 7 N 5.83 1.40 -3.72 1.82 -5.35 -1.00 -4.82 119.36 113.51 1og6 n ILE 7 Ca -0.03 0.64 -0.09 0.00 -0.27 0.00 0.00 62.75 63.00 1og6 n ILE 7 Cb 0.47 -1.63 -0.02 0.00 -1.74 0.00 0.00 39.64 36.71 1og6 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1og6 s ALA 8 N -3.33 -1.28 0.02 -1.28 0.00 -1.26 -0.89 121.76 113.74 1og6 s ALA 8 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 1og6 s ALA 8 Cb 0.04 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1og6 s ALA 8 CO 0.13 -0.93 1.01 -2.30 0.00 0.00 0.00 175.76 173.66 1og6 n PRO 9 N -0.42 -0.07 -1.93 0.00 -0.02 -1.26 -1.81 135.00 129.49 1og6 n PRO 9 Ca -0.08 1.01 -0.28 0.00 -2.02 0.00 0.00 63.50 62.13 1og6 n PRO 9 Cb 0.61 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.62 1og6 n PRO 9 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1og6 n GLN 10 N -3.29 3.34 -1.98 -0.52 6.02 -1.26 -5.02 117.38 114.67 1og6 n GLN 10 Ca 0.00 -3.99 -0.12 0.00 -0.01 0.00 0.00 57.00 52.88 1og6 n GLN 10 Cb 0.04 -2.28 0.05 0.00 1.02 0.00 0.00 30.24 29.07 1og6 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1og6 n GLY 11 N -0.71 1.53 3.71 1.08 0.00 -0.75 -4.97 105.19 105.08 1og6 n GLY 11 Ca 0.48 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1og6 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1og6 s PRO 12 N -3.63 -0.67 -0.25 1.61 0.04 -1.26 -4.72 135.00 126.12 1og6 s PRO 12 Ca 0.35 -0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.17 1og6 s PRO 12 Cb -0.03 -1.68 0.07 0.00 0.04 0.00 0.00 34.50 32.90 1og6 s PRO 12 CO 0.23 -3.31 -0.04 -2.00 0.04 0.00 0.00 177.00 171.92 1og6 s GLU 13 N -5.61 1.59 0.00 4.56 2.12 -1.26 -2.39 118.70 117.71 1og6 s GLU 13 Ca 0.73 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1og6 s GLU 13 Cb -0.07 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1og6 s GLU 13 CO 0.55 -0.65 0.00 1.19 -0.54 0.00 0.00 175.26 175.81 1og6 n PHE 14 N 4.63 -1.61 -4.07 5.30 3.01 -0.11 -4.88 117.46 119.73 1og6 n PHE 14 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.02 1og6 n PHE 14 Cb 0.44 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.75 1og6 n PHE 14 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1og6 s SER 15 N -1.00 3.47 0.07 4.37 1.04 -1.26 -1.99 113.70 118.40 1og6 s SER 15 Ca 0.00 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.83 1og6 s SER 15 Cb 0.00 -1.54 0.26 0.00 0.10 0.00 0.00 66.02 64.84 1og6 s SER 15 CO 0.00 -0.02 0.29 -1.14 0.98 0.00 0.00 173.24 173.35 1og6 n ARG 16 N 4.65 -0.01 -3.85 4.02 3.00 -0.83 -3.49 116.66 120.15 1og6 n ARG 16 Ca -0.20 0.24 -0.36 0.00 -0.00 0.00 0.00 57.85 57.53 1og6 n ARG 16 Cb 0.50 -0.45 -0.13 0.00 0.00 0.00 0.00 32.46 32.37 1og6 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1og6 s PHE 17 N -4.11 3.06 0.24 -0.14 0.40 -1.26 -3.29 117.98 112.88 1og6 s PHE 17 Ca -0.02 -1.03 0.04 0.00 -0.60 0.00 0.00 56.93 55.32 1og6 s PHE 17 Cb 0.06 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1og6 s PHE 17 CO 0.15 -0.58 0.38 0.14 0.70 0.00 0.00 175.22 176.01 1og6 s VAL 18 N 1.47 5.24 -0.24 -0.44 -7.23 -1.03 -4.48 120.40 113.69 1og6 s VAL 18 Ca 0.04 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1og6 s VAL 18 Cb -0.16 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 32.91 1og6 s VAL 18 CO -0.01 -0.32 0.09 -0.32 -0.31 0.00 0.00 175.10 174.23 1og6 s MET 19 N -3.87 3.76 -0.23 4.82 1.75 0.11 -1.13 119.30 124.51 1og6 s MET 19 Ca 0.35 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 54.29 1og6 s MET 19 Cb -0.10 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.17 1og6 s MET 19 CO 0.30 -0.11 0.08 0.20 -0.65 0.00 0.00 175.02 174.84 1og6 s GLY 20 N 1.44 1.84 -0.75 2.11 0.00 0.49 0.46 107.32 112.90 1og6 s GLY 20 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1og6 s GLY 20 CO 0.05 0.38 1.94 -1.72 0.00 0.00 0.00 173.10 173.75 1og6 n TYR 21 N 4.46 3.08 0.06 1.90 4.02 -0.46 -4.57 117.16 125.64 1og6 n TYR 21 Ca -0.16 -2.57 -0.14 0.00 -0.01 0.00 0.00 57.90 55.02 1og6 n TYR 21 Cb 0.52 -1.15 -0.05 0.00 -0.02 0.00 0.00 39.34 38.64 1og6 n TYR 21 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1og6 h TRP 22 N 2.67 0.70 -0.62 -0.72 7.01 -1.95 -3.26 115.95 119.79 1og6 h TRP 22 Ca 0.55 -0.37 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1og6 h TRP 22 Cb 0.35 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1og6 h TRP 22 CO 1.21 1.18 0.00 0.54 -2.79 0.00 0.00 178.44 178.58 1og6 n ARG 23 N -3.79 3.31 -0.33 2.65 1.74 -1.26 -4.19 116.66 114.80 1og6 n ARG 23 Ca -0.07 -2.73 0.06 0.00 -0.77 0.00 0.00 57.85 54.34 1og6 n ARG 23 Cb 0.82 -1.72 0.14 0.00 -1.02 0.00 0.00 32.46 30.67 1og6 n ARG 23 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1og6 n LEU 24 N 1.12 -0.31 0.28 0.55 7.94 -1.23 0.12 117.00 125.46 1og6 n LEU 24 Ca 0.24 1.57 0.14 0.00 -1.11 0.00 0.00 56.01 56.84 1og6 n LEU 24 Cb 0.76 -0.48 0.80 0.00 0.53 0.00 0.00 43.42 45.03 1og6 n LEU 24 CO 0.19 -1.51 1.03 0.24 -1.11 0.00 0.00 177.39 176.24 1og6 h MET 25 N 0.00 0.00 0.00 1.96 2.86 -1.88 -1.72 114.93 116.15 1og6 h MET 25 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1og6 h MET 25 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1og6 h MET 25 CO -0.93 0.08 0.00 -0.44 1.06 0.00 0.00 176.91 176.67 1og6 h ASP 26 N 0.00 0.00 0.58 1.22 3.45 0.57 -3.10 116.42 119.14 1og6 h ASP 26 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1og6 h ASP 26 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1og6 h ASP 26 CO 0.01 0.00 -0.01 0.79 -1.57 0.00 0.00 179.24 178.46 1og6 n TRP 27 N -2.52 0.00 -4.23 4.55 8.01 -0.65 -4.90 117.44 117.71 1og6 n TRP 27 Ca 0.04 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.90 1og6 n TRP 27 Cb 0.41 -0.29 -0.05 0.00 -2.01 0.00 0.00 31.31 29.37 1og6 n TRP 27 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1og6 n ASN 28 N -1.28 -1.32 -4.88 -0.99 3.02 -1.17 -4.91 115.26 103.74 1og6 n ASN 28 Ca 0.14 -1.11 -0.33 0.00 -0.03 0.00 0.00 54.58 53.25 1og6 n ASN 28 Cb 0.25 -2.39 -0.05 0.00 -0.61 0.00 0.00 39.78 36.98 1og6 n ASN 28 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1og6 s MET 29 N -6.98 3.68 0.05 3.52 1.75 -1.26 -5.10 119.30 114.96 1og6 s MET 29 Ca 0.40 0.04 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 1og6 s MET 29 Cb -0.22 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1og6 s MET 29 CO 0.95 0.50 0.04 -1.12 -0.65 0.00 0.00 175.02 174.74 1og6 s SER 30 N -2.12 5.31 0.37 1.11 0.01 -1.26 -4.87 113.70 112.25 1og6 s SER 30 Ca 0.38 -0.03 0.25 0.00 1.31 0.00 0.00 55.95 57.86 1og6 s SER 30 Cb -0.13 -1.39 1.29 0.00 0.21 0.00 0.00 66.02 66.00 1og6 s SER 30 CO 0.21 0.21 1.40 0.00 0.41 0.00 0.00 173.24 175.48 1og6 n ALA 31 N 0.82 1.12 0.01 1.44 0.00 -1.26 0.94 120.51 123.58 1og6 n ALA 31 Ca -0.11 0.82 -0.19 0.00 0.00 0.00 0.00 53.44 53.97 1og6 n ALA 31 Cb 0.52 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1og6 n ALA 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1og6 h ARG 32 N 0.00 0.73 0.44 0.00 0.11 -1.94 -2.87 114.38 110.85 1og6 h ARG 32 Ca 0.78 -0.68 -0.02 0.00 0.10 0.00 0.00 59.98 60.15 1og6 h ARG 32 Cb 2.36 0.17 0.00 0.00 1.11 0.00 0.00 29.97 33.61 1og6 h ARG 32 CO -0.51 1.28 -0.21 1.96 0.10 0.00 0.00 179.97 182.59 1og6 h GLN 33 N 0.43 -0.57 -0.94 0.08 4.20 0.18 -2.99 115.11 115.50 1og6 h GLN 33 Ca -0.09 0.04 0.27 0.00 0.06 0.00 0.00 58.65 58.94 1og6 h GLN 33 Cb 1.53 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 29.29 1og6 h GLN 33 CO 0.18 -0.27 0.40 1.25 -0.67 0.00 0.00 178.83 179.72 1og6 h LEU 34 N -0.99 0.27 -1.75 1.46 5.85 -0.81 1.37 115.31 120.70 1og6 h LEU 34 Ca -0.06 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1og6 h LEU 34 Cb 0.56 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1og6 h LEU 34 CO 0.10 -0.13 -0.17 0.58 -0.34 0.00 0.00 178.44 178.48 1og6 h VAL 35 N 0.28 0.83 0.01 1.05 2.07 -1.47 0.19 116.25 119.22 1og6 h VAL 35 Ca 0.64 -0.65 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1og6 h VAL 35 Cb 1.37 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1og6 h VAL 35 CO -0.63 0.17 -1.01 0.28 0.02 0.00 0.00 177.57 176.40 1og6 h SER 36 N 0.00 0.70 0.65 0.57 0.02 0.19 0.84 113.55 116.52 1og6 h SER 36 Ca -0.00 -0.57 -0.03 0.00 -0.84 0.00 0.00 61.79 60.35 1og6 h SER 36 Cb 0.37 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1og6 h SER 36 CO 0.02 1.37 -0.31 0.15 -1.14 0.00 0.00 176.83 176.92 1og6 h PHE 37 N 0.29 -0.81 -0.52 3.45 3.57 -0.26 0.14 116.94 122.80 1og6 h PHE 37 Ca -0.11 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.48 1og6 h PHE 37 Cb 1.66 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 40.58 1og6 h PHE 37 CO 0.08 -0.47 0.02 0.82 -2.23 0.00 0.00 178.31 176.53 1og6 h ILE 38 N -1.14 0.60 -0.43 1.41 2.04 -0.73 0.22 117.51 119.48 1og6 h ILE 38 Ca -0.09 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1og6 h ILE 38 Cb 0.70 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1og6 h ILE 38 CO 0.15 0.02 -0.35 -0.33 0.00 0.00 0.00 178.15 177.64 1og6 h GLU 39 N 0.13 -0.25 -0.23 2.37 4.39 -0.62 -2.67 114.58 117.71 1og6 h GLU 39 Ca 0.27 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1og6 h GLU 39 Cb 0.41 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1og6 h GLU 39 CO -0.43 -0.17 0.02 0.93 -1.16 0.00 0.00 179.01 178.21 1og6 h GLU 40 N -0.26 0.39 -0.86 2.33 5.08 0.80 -3.23 114.58 118.82 1og6 h GLU 40 Ca 0.17 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1og6 h GLU 40 Cb 0.55 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1og6 h GLU 40 CO -0.57 0.55 0.47 1.12 -1.00 0.00 0.00 179.01 179.58 1og6 h HIS 41 N 0.17 1.19 0.00 4.33 2.07 -0.78 -0.30 115.15 121.83 1og6 h HIS 41 Ca 0.07 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1og6 h HIS 41 Cb 0.36 -0.38 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1og6 h HIS 41 CO 0.03 0.82 0.00 1.47 -3.07 0.00 0.00 177.93 177.18 1og6 n LEU 42 N -4.33 0.00 -0.13 6.12 -0.00 -1.03 -1.66 117.00 115.97 1og6 n LEU 42 Ca 0.09 0.15 0.13 0.00 -0.00 0.00 0.00 56.01 56.38 1og6 n LEU 42 Cb 0.10 -0.15 0.32 0.00 -0.00 0.00 0.00 43.42 43.70 1og6 n LEU 42 CO 0.39 -0.05 0.57 0.47 -0.00 0.00 0.00 177.39 178.77 1og6 n ASP 43 N -1.15 0.78 -0.08 1.45 10.43 -0.13 -3.27 116.55 124.58 1og6 n ASP 43 Ca 0.13 -0.60 -0.09 0.00 2.57 0.00 0.00 54.79 56.81 1og6 n ASP 43 Cb 0.12 0.18 -0.15 0.00 1.84 0.00 0.00 41.12 43.11 1og6 n ASP 43 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1og6 n LEU 44 N -1.04 0.19 0.00 0.64 4.77 -0.66 -4.98 117.00 115.92 1og6 n LEU 44 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1og6 n LEU 44 Cb 0.34 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1og6 n LEU 44 CO 0.30 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1og6 n GLY 45 N 1.68 1.32 3.57 -0.72 0.00 -1.11 -1.83 105.19 108.10 1og6 n GLY 45 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1og6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og6 s VAL 46 N -0.93 3.40 -0.10 1.61 1.01 -1.03 -4.63 120.40 119.72 1og6 s VAL 46 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1og6 s VAL 46 Cb 0.00 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 1og6 s VAL 46 CO 0.00 -0.79 0.42 0.35 0.00 0.00 0.00 175.10 175.08 1og6 n THR 47 N 8.04 1.62 -2.60 3.92 -2.24 -1.26 -3.29 114.28 118.47 1og6 n THR 47 Ca 0.42 -0.75 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1og6 n THR 47 Cb 0.46 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.45 1og6 n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1og6 s THR 48 N -2.57 3.76 0.05 4.28 2.01 -1.26 -2.51 115.64 119.41 1og6 s THR 48 Ca -0.13 1.71 0.07 0.00 0.31 0.00 0.00 61.69 63.65 1og6 s THR 48 Cb 0.07 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1og6 s THR 48 CO 0.79 0.36 -0.19 0.68 -0.69 0.00 0.00 174.62 175.57 1og6 s VAL 49 N -1.25 1.56 -0.19 3.82 -7.23 0.31 -0.71 120.40 116.72 1og6 s VAL 49 Ca 0.45 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1og6 s VAL 49 Cb -0.28 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.28 1og6 s VAL 49 CO 0.35 0.11 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.53 1og6 s ASP 50 N -1.31 3.88 0.00 4.85 2.15 0.17 -1.04 116.67 125.37 1og6 s ASP 50 Ca 0.06 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.59 1og6 s ASP 50 Cb -0.09 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1og6 s ASP 50 CO 0.02 0.03 0.00 1.41 -0.17 0.00 0.00 175.17 176.46 1og6 n HIS 51 N 4.43 0.00 0.00 -5.34 8.25 0.12 -1.36 115.22 121.32 1og6 n HIS 51 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1og6 n HIS 51 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1og6 n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og6 n ALA 52 N -3.00 0.00 -0.23 -1.41 0.00 -1.26 -3.76 120.51 110.84 1og6 n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1og6 n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1og6 n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1og6 n ASP 53 N 0.00 0.00 -0.10 0.00 4.64 -0.51 -2.50 116.55 118.09 1og6 n ASP 53 Ca 0.00 0.09 -0.02 0.00 -1.38 0.00 0.00 54.79 53.49 1og6 n ASP 53 Cb 0.00 0.00 0.23 0.00 -1.04 0.00 0.00 41.12 40.31 1og6 n ASP 53 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1og6 h ILE 54 N 0.00 1.21 -0.56 5.18 3.07 -1.88 -3.39 117.51 121.13 1og6 h ILE 54 Ca 0.00 -0.74 -0.44 0.00 1.55 0.00 0.00 64.86 65.23 1og6 h ILE 54 Cb 0.00 0.68 0.03 0.00 -0.27 0.00 0.00 36.82 37.26 1og6 h ILE 54 CO 0.00 0.28 0.02 -1.22 -1.05 0.00 0.00 178.15 176.17 1og6 n TYR 55 N -4.30 0.33 -3.48 0.16 4.01 -1.04 -0.16 117.16 112.68 1og6 n TYR 55 Ca 0.04 0.60 -0.21 0.00 -0.16 0.00 0.00 57.90 58.16 1og6 n TYR 55 Cb 0.21 -1.18 0.07 0.00 -0.31 0.00 0.00 39.34 38.13 1og6 n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1og6 n GLY 56 N 0.86 -0.39 2.40 2.72 0.00 -1.26 -2.05 105.19 107.46 1og6 n GLY 56 Ca 0.11 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1og6 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 57 N -1.83 -0.32 2.12 -0.02 0.00 -0.85 -1.03 105.19 103.26 1og6 n GLY 57 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1og6 n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1og6 n TYR 58 N -3.92 0.00 -0.07 1.61 4.01 0.77 -4.93 117.16 114.62 1og6 n TYR 58 Ca -0.24 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.34 1og6 n TYR 58 Cb 0.68 -0.64 -0.14 0.00 -0.31 0.00 0.00 39.34 38.93 1og6 n TYR 58 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1og6 n GLN 59 N -2.67 0.69 -0.25 -0.72 6.02 -0.20 -4.63 117.38 115.62 1og6 n GLN 59 Ca -0.02 0.17 0.02 0.00 -0.01 0.00 0.00 57.00 57.17 1og6 n GLN 59 Cb 0.09 -1.61 0.11 0.00 1.02 0.00 0.00 30.24 29.84 1og6 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1og6 h GLU 61 N 0.04 -0.20 -0.89 0.00 5.08 -1.82 -1.63 114.58 115.16 1og6 h GLU 61 Ca 0.37 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1og6 h GLU 61 Cb 0.60 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1og6 h GLU 61 CO -0.70 -0.13 0.56 0.00 -1.00 0.00 0.00 179.01 177.74 1og6 h ALA 62 N 0.76 1.24 -0.58 3.43 0.00 -1.46 -0.49 119.26 122.16 1og6 h ALA 62 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1og6 h ALA 62 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1og6 h ALA 62 CO -0.12 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.60 1og6 h ALA 63 N 1.43 1.21 0.00 0.00 0.00 -0.91 0.10 119.26 121.09 1og6 h ALA 63 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1og6 h ALA 63 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1og6 h ALA 63 CO -0.18 0.55 0.00 0.34 0.00 0.00 0.00 179.25 179.96 1og6 n PHE 64 N -4.28 0.85 0.07 0.00 7.35 -0.49 -2.34 117.46 118.61 1og6 n PHE 64 Ca 0.04 0.29 -0.09 0.00 -0.76 0.00 0.00 57.45 56.94 1og6 n PHE 64 Cb 0.21 -0.98 0.02 0.00 0.35 0.00 0.00 39.48 39.08 1og6 n PHE 64 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1og6 h GLY 65 N 3.21 0.32 1.64 7.13 0.00 0.72 -2.55 103.07 113.55 1og6 h GLY 65 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 47.33 46.64 1og6 h GLY 65 CO 0.00 0.44 -0.79 0.83 0.00 0.00 0.00 176.54 177.02 1og6 h GLU 66 N 0.18 0.34 -0.13 4.80 4.39 -1.08 -0.15 114.58 122.92 1og6 h GLU 66 Ca -0.04 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 1og6 h GLU 66 Cb 1.39 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 1og6 h GLU 66 CO 0.13 0.97 -0.43 0.00 -1.16 0.00 0.00 179.01 178.52 1og6 h ALA 67 N 0.93 1.03 0.00 3.43 0.00 -1.51 -2.53 119.26 120.61 1og6 h ALA 67 Ca -0.04 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1og6 h ALA 67 Cb 1.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1og6 h ALA 67 CO 0.13 0.61 -0.90 -0.07 0.00 0.00 0.00 179.25 179.03 1og6 h LEU 68 N 0.25 0.00 0.53 0.00 3.38 -1.37 -3.34 115.31 114.76 1og6 h LEU 68 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1og6 h LEU 68 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1og6 h LEU 68 CO 0.07 0.81 -0.25 0.11 0.09 0.00 0.00 178.44 179.26 1og6 h LYS 69 N 0.00 -0.68 -0.87 1.13 1.57 -0.65 -1.03 116.57 116.04 1og6 h LYS 69 Ca -0.03 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1og6 h LYS 69 Cb 1.65 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.11 1og6 h LYS 69 CO 0.10 -0.38 0.00 1.47 -0.57 0.00 0.00 179.45 180.07 1og6 n LEU 70 N -5.28 1.08 -2.66 2.94 -0.00 -0.99 -3.58 117.00 108.50 1og6 n LEU 70 Ca -0.11 -0.54 -0.04 0.00 -0.00 0.00 0.00 56.01 55.32 1og6 n LEU 70 Cb 0.32 -0.40 0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1og6 n LEU 70 CO 0.29 0.23 0.63 0.00 -0.00 0.00 0.00 177.39 178.55 1og6 n ALA 71 N 0.19 -3.75 1.43 1.47 0.00 -1.17 -5.04 120.51 113.65 1og6 n ALA 71 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.23 1og6 n ALA 71 Cb 0.23 -3.39 0.04 0.00 0.00 0.00 0.00 19.45 16.34 1og6 n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1og6 n PRO 72 N 1.51 1.30 -0.77 0.00 -0.04 -0.40 -3.66 135.00 132.94 1og6 n PRO 72 Ca 0.01 -0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.13 1og6 n PRO 72 Cb 0.71 -1.22 0.31 0.00 -0.04 0.00 0.00 33.50 33.26 1og6 n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1og6 n HIS 73 N -0.14 1.81 -0.07 0.54 1.44 -1.26 -4.14 115.22 113.40 1og6 n HIS 73 Ca 0.03 -0.72 -0.11 0.00 -2.01 0.00 0.00 57.72 54.91 1og6 n HIS 73 Cb 0.16 -0.49 -0.06 0.00 0.12 0.00 0.00 29.99 29.72 1og6 n HIS 73 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1og6 n LEU 74 N 0.33 2.55 -0.36 2.39 4.77 -1.24 -4.67 117.00 120.78 1og6 n LEU 74 Ca 0.26 -0.02 0.32 0.00 -0.03 0.00 0.00 56.01 56.54 1og6 n LEU 74 Cb 1.08 -0.46 0.58 0.00 -2.33 0.00 0.00 43.42 42.29 1og6 n LEU 74 CO 0.30 0.63 1.12 -0.09 -1.33 0.00 0.00 177.39 178.02 1og6 h ARG 75 N -0.11 0.09 -0.25 3.23 9.65 -1.84 1.24 114.38 126.38 1og6 h ARG 75 Ca -0.32 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1og6 h ARG 75 Cb 1.44 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 1og6 h ARG 75 CO -0.09 0.06 0.00 -0.85 2.80 0.00 0.00 179.97 181.89 1og6 n GLU 76 N -5.07 0.98 0.00 0.20 0.00 -1.26 -2.69 120.64 112.80 1og6 n GLU 76 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1og6 n GLU 76 Cb 1.27 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 31.58 1og6 n GLU 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1og6 n ARG 77 N -0.37 1.77 -4.18 3.44 1.74 0.43 -5.06 116.66 114.43 1og6 n ARG 77 Ca 0.00 -1.13 -0.11 0.00 -0.77 0.00 0.00 57.85 55.84 1og6 n ARG 77 Cb 0.06 -0.91 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1og6 n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1og6 s MET 78 N -0.65 0.99 -0.19 5.56 0.23 -1.09 -4.80 119.30 119.34 1og6 s MET 78 Ca 0.00 -1.47 0.01 0.00 -1.03 0.00 0.00 55.69 53.20 1og6 s MET 78 Cb 0.00 0.05 0.02 0.00 -1.53 0.00 0.00 34.83 33.37 1og6 s MET 78 CO 0.00 -0.21 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.40 1og6 s GLU 79 N -4.00 2.95 -0.10 3.16 8.01 -1.04 -4.96 118.70 122.72 1og6 s GLU 79 Ca 0.24 -0.86 -0.16 0.00 0.01 0.00 0.00 54.97 54.19 1og6 s GLU 79 Cb 0.07 -2.64 -0.05 0.00 -4.31 0.00 0.00 34.13 27.20 1og6 s GLU 79 CO 0.02 -0.25 0.42 0.42 0.01 0.00 0.00 175.26 175.88 1og6 s ILE 80 N 1.29 5.17 -0.08 -1.63 1.01 -1.26 -0.53 121.20 125.17 1og6 s ILE 80 Ca 0.04 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.56 1og6 s ILE 80 Cb -0.14 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1og6 s ILE 80 CO -0.11 0.41 -0.22 -0.69 0.00 0.00 0.00 174.94 174.33 1og6 s VAL 81 N 0.12 1.86 0.17 2.92 1.01 -0.20 -1.74 120.40 124.53 1og6 s VAL 81 Ca 0.23 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1og6 s VAL 81 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1og6 s VAL 81 CO 0.10 0.52 0.14 -0.55 0.00 0.00 0.00 175.10 175.30 1og6 s SER 82 N 0.29 0.19 0.29 3.32 0.15 -1.06 0.11 113.70 117.00 1og6 s SER 82 Ca -0.15 -1.21 0.03 0.00 0.70 0.00 0.00 55.95 55.32 1og6 s SER 82 Cb -0.16 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1og6 s SER 82 CO 0.07 -0.81 0.15 -0.54 1.20 0.00 0.00 173.24 173.31 1og6 s LYS 83 N -4.08 1.55 0.20 5.44 1.02 -1.25 -1.06 119.74 121.57 1og6 s LYS 83 Ca 0.28 -1.87 -0.23 0.00 0.02 0.00 0.00 55.97 54.17 1og6 s LYS 83 Cb 0.06 -0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1og6 s LYS 83 CO 0.06 -0.43 0.82 0.00 -0.92 0.00 0.00 175.35 174.88 1og6 n GLY 85 N -0.45 0.99 3.91 0.00 0.00 -1.26 0.08 105.19 108.46 1og6 n GLY 85 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1og6 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1og6 s ILE 86 N -0.97 5.28 -0.26 -0.61 1.01 -1.26 0.40 121.20 124.78 1og6 s ILE 86 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1og6 s ILE 86 Cb 0.00 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.93 1og6 s ILE 86 CO 0.00 0.11 0.04 0.00 0.00 0.00 0.00 174.94 175.10 1og6 s ALA 87 N -1.56 1.49 0.64 9.38 0.00 -0.12 -4.77 121.76 126.83 1og6 s ALA 87 Ca 0.37 -1.31 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1og6 s ALA 87 Cb -0.13 -1.45 0.06 0.00 0.00 0.00 0.00 23.12 21.60 1og6 s ALA 87 CO 0.25 -1.41 0.91 0.95 0.00 0.00 0.00 175.76 176.46 1og6 s THR 88 N 1.63 2.44 -1.36 0.00 -4.23 -1.26 -1.63 115.64 111.23 1og6 s THR 88 Ca 0.03 -0.48 0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1og6 s THR 88 Cb -0.18 -2.96 0.45 0.00 1.34 0.00 0.00 72.50 71.16 1og6 s THR 88 CO -0.15 0.00 2.00 0.41 -0.54 0.00 0.00 174.62 176.34 1og6 n THR 89 N -2.66 0.00 0.34 3.99 -1.04 -1.26 -3.40 114.28 110.25 1og6 n THR 89 Ca 0.09 -0.01 0.18 0.00 -2.04 0.00 0.00 64.05 62.27 1og6 n THR 89 Cb 0.60 -0.45 0.97 0.00 -1.82 0.00 0.00 70.33 69.63 1og6 n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1og6 h ALA 90 N 3.35 1.21 -1.90 2.41 0.00 -1.93 -3.40 119.26 118.99 1og6 h ALA 90 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1og6 h ALA 90 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1og6 h ALA 90 CO 0.00 -0.21 -0.47 1.03 0.00 0.00 0.00 179.25 179.61 1og6 s ARG 91 N -4.11 2.73 0.17 0.00 0.52 -1.22 -5.03 118.95 112.02 1og6 s ARG 91 Ca -0.04 -1.27 0.20 0.00 -0.52 0.00 0.00 55.73 54.10 1og6 s ARG 91 Cb 0.10 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 1og6 s ARG 91 CO 0.32 0.14 1.01 0.93 0.02 0.00 0.00 175.30 177.73 1og6 h GLU 92 N 1.30 0.00 0.00 3.54 5.08 -1.89 -3.33 114.58 119.28 1og6 h GLU 92 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1og6 h GLU 92 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1og6 h GLU 92 CO 0.59 0.12 -0.06 0.93 -1.00 0.00 0.00 179.01 179.59 1og6 h GLU 93 N 0.00 0.00 -4.75 2.33 3.07 -1.93 -3.41 114.58 109.89 1og6 h GLU 93 Ca -0.06 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.12 1og6 h GLU 93 Cb 1.23 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.95 1og6 h GLU 93 CO 0.02 0.06 -0.39 -0.80 -1.40 0.00 0.00 179.01 176.50 1og6 s ASN 94 N -5.78 6.12 0.34 1.42 0.01 -1.25 -4.92 114.94 110.88 1og6 s ASN 94 Ca -0.01 -0.51 0.23 0.00 -0.71 0.00 0.00 52.86 51.87 1og6 s ASN 94 Cb 0.10 -2.17 0.28 0.00 0.41 0.00 0.00 41.25 39.87 1og6 s ASN 94 CO 0.55 -0.35 1.44 0.58 -1.51 0.00 0.00 177.10 177.81 1og6 h VAL 95 N 5.56 0.00 -4.19 1.60 2.07 -1.89 -3.43 116.25 115.98 1og6 h VAL 95 Ca -0.29 -0.93 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 1og6 h VAL 95 Cb 1.14 1.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.53 1og6 h VAL 95 CO 0.69 0.00 -0.49 -0.51 0.02 0.00 0.00 177.57 177.28 1og6 s ILE 96 N -3.24 0.08 -0.11 4.57 2.07 -1.26 -5.05 121.20 118.25 1og6 s ILE 96 Ca 0.05 -1.68 -0.20 0.00 -1.41 0.00 0.00 60.65 57.41 1og6 s ILE 96 Cb 0.07 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 1og6 s ILE 96 CO 0.70 -0.34 0.56 -0.83 -1.91 0.00 0.00 174.94 173.12 1og6 s GLY 97 N -3.02 2.43 0.00 1.50 0.00 -1.26 -4.57 107.32 102.40 1og6 s GLY 97 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1og6 s GLY 97 CO 0.02 0.94 0.00 -2.39 0.00 0.00 0.00 173.10 171.67 1og6 n HIS 98 N 3.83 -0.21 -4.54 1.90 1.44 -0.65 -5.02 115.22 111.98 1og6 n HIS 98 Ca -0.05 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.42 1og6 n HIS 98 Cb 0.51 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.49 1og6 n HIS 98 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1og6 s TYR 99 N -3.59 1.72 -0.22 -1.40 2.02 -1.26 -0.94 117.35 113.68 1og6 s TYR 99 Ca 0.00 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1og6 s TYR 99 Cb 0.00 -1.01 0.07 0.00 -0.40 0.00 0.00 41.96 40.61 1og6 s TYR 99 CO 0.00 0.10 0.02 0.42 -1.57 0.00 0.00 175.55 174.52 1og6 s ILE 100 N -0.87 0.83 -0.24 2.71 1.01 0.16 -4.89 121.20 119.91 1og6 s ILE 100 Ca 0.06 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.98 1og6 s ILE 100 Cb -0.09 -1.32 0.45 0.00 0.01 0.00 0.00 42.46 41.52 1og6 s ILE 100 CO 0.02 -0.24 1.19 0.35 0.00 0.00 0.00 174.94 176.26 1og6 n THR 101 N 4.92 2.13 -1.41 2.92 -2.24 -1.26 -4.14 114.28 115.19 1og6 n THR 101 Ca -0.09 -3.56 -0.30 0.00 -2.27 0.00 0.00 64.05 57.83 1og6 n THR 101 Cb 0.46 -0.45 0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1og6 n THR 101 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1og6 s ASP 102 N -3.40 4.48 0.02 3.42 1.01 -1.26 -4.55 116.67 116.40 1og6 s ASP 102 Ca 0.43 1.54 -0.27 0.00 0.71 0.00 0.00 52.55 54.96 1og6 s ASP 102 Cb 0.39 -2.29 -0.16 0.00 1.01 0.00 0.00 42.92 41.87 1og6 s ASP 102 CO -0.02 -2.01 1.26 -0.09 0.21 0.00 0.00 175.17 174.53 1og6 h ARG 103 N -1.11 -0.63 -0.65 8.23 2.43 -1.96 -2.70 114.38 117.98 1og6 h ARG 103 Ca -0.46 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1og6 h ARG 103 Cb 1.25 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 1og6 h ARG 103 CO 0.56 -0.33 0.46 -0.44 -1.51 0.00 0.00 179.97 178.70 1og6 h ASP 104 N -0.93 0.14 -0.10 -3.80 3.32 -1.93 -1.75 116.42 111.37 1og6 h ASP 104 Ca -0.07 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 1og6 h ASP 104 Cb 0.60 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1og6 h ASP 104 CO 0.11 0.07 -0.58 -0.74 -1.72 0.00 0.00 179.24 176.38 1og6 h HIS 105 N 0.15 0.79 -0.57 4.55 2.76 -1.92 -1.22 115.15 119.68 1og6 h HIS 105 Ca 0.32 -0.35 -0.07 0.00 -2.20 0.00 0.00 60.37 58.06 1og6 h HIS 105 Cb 1.03 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 1og6 h HIS 105 CO -0.00 1.15 0.07 0.82 -1.30 0.00 0.00 177.93 178.67 1og6 h ILE 106 N 0.20 1.26 -0.49 6.26 2.04 -1.02 0.25 117.51 126.00 1og6 h ILE 106 Ca -0.04 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1og6 h ILE 106 Cb 1.23 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1og6 h ILE 106 CO 0.12 0.37 0.08 0.40 0.00 0.00 0.00 178.15 179.12 1og6 h ILE 107 N 0.85 1.25 -0.79 -0.67 2.04 -1.39 -2.01 117.51 116.79 1og6 h ILE 107 Ca 0.17 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1og6 h ILE 107 Cb 0.45 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1og6 h ILE 107 CO 0.02 0.33 0.48 0.50 0.00 0.00 0.00 178.15 179.48 1og6 h LYS 108 N 0.69 1.07 -0.00 2.37 3.64 -0.82 -2.53 116.57 120.98 1og6 h LYS 108 Ca 0.15 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1og6 h LYS 108 Cb 0.39 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1og6 h LYS 108 CO 0.01 0.75 -0.18 -1.13 -2.27 0.00 0.00 179.45 176.63 1og6 n SER 109 N -4.48 0.25 -0.06 4.20 3.41 0.04 -2.32 113.62 114.65 1og6 n SER 109 Ca 0.08 0.03 -0.17 0.00 -0.26 0.00 0.00 58.87 58.55 1og6 n SER 109 Cb 0.05 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 1og6 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1og6 h ALA 110 N 3.14 0.07 0.00 7.33 0.00 -1.10 -2.87 119.26 125.83 1og6 h ALA 110 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1og6 h ALA 110 Cb 0.46 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1og6 h ALA 110 CO 0.00 0.27 -0.07 0.93 0.00 0.00 0.00 179.25 180.37 1og6 h GLU 111 N -0.89 0.00 -0.16 0.00 5.08 -1.53 -0.94 114.58 116.15 1og6 h GLU 111 Ca -0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1og6 h GLU 111 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1og6 h GLU 111 CO -0.03 0.07 -0.48 0.37 -1.00 0.00 0.00 179.01 177.95 1og6 h GLN 112 N 0.00 0.41 -0.19 2.33 5.75 -1.52 -2.83 115.11 119.06 1og6 h GLN 112 Ca -0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1og6 h GLN 112 Cb 0.13 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1og6 h GLN 112 CO 0.01 0.80 -0.05 0.77 -2.65 0.00 0.00 178.83 177.71 1og6 h SER 113 N 0.33 0.38 -0.98 -0.69 0.02 -0.94 -1.48 113.55 110.19 1og6 h SER 113 Ca 0.02 -0.37 0.14 0.00 -0.84 0.00 0.00 61.79 60.74 1og6 h SER 113 Cb 0.96 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.31 1og6 h SER 113 CO 0.08 0.67 0.60 -0.07 -1.14 0.00 0.00 176.83 176.97 1og6 h LEU 114 N 0.09 0.84 -0.27 5.07 3.38 -1.40 0.54 115.31 123.56 1og6 h LEU 114 Ca 0.05 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1og6 h LEU 114 Cb 0.50 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1og6 h LEU 114 CO 0.02 0.40 -0.29 0.40 0.09 0.00 0.00 178.44 179.06 1og6 h ILE 115 N 0.89 1.31 -0.12 1.22 2.04 -1.35 0.17 117.51 121.66 1og6 h ILE 115 Ca 0.51 -1.47 -0.21 0.00 1.00 0.00 0.00 64.86 64.69 1og6 h ILE 115 Cb 0.61 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1og6 h ILE 115 CO -0.31 0.47 -0.77 0.78 0.00 0.00 0.00 178.15 178.32 1og6 h ASN 116 N 0.40 0.77 1.04 1.72 2.35 -0.25 -3.09 115.58 118.53 1og6 h ASN 116 Ca 0.04 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1og6 h ASN 116 Cb 0.87 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1og6 h ASN 116 CO 0.07 1.29 -0.20 0.18 -1.65 0.00 0.00 177.43 177.13 1og6 n LEU 117 N -3.90 0.46 -3.21 1.61 4.77 0.18 -3.12 117.00 113.80 1og6 n LEU 117 Ca -0.06 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 1og6 n LEU 117 Cb 0.74 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1og6 n LEU 117 CO 0.51 -0.05 0.04 0.00 -1.33 0.00 0.00 177.39 176.57 1og6 n ALA 118 N -1.65 -2.46 -2.35 -1.18 0.00 0.41 -4.36 120.51 108.92 1og6 n ALA 118 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1og6 n ALA 118 Cb 0.39 -5.54 -0.09 0.00 0.00 0.00 0.00 19.45 14.21 1og6 n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1og6 s THR 119 N -3.37 0.00 -1.04 0.00 2.01 -0.13 -4.90 115.64 108.22 1og6 s THR 119 Ca 0.43 -1.92 0.18 0.00 0.31 0.00 0.00 61.69 60.69 1og6 s THR 119 Cb -0.06 -2.47 -0.15 0.00 0.01 0.00 0.00 72.50 69.83 1og6 s THR 119 CO 0.73 0.00 0.80 -0.90 -0.69 0.00 0.00 174.62 174.56 1og6 n ASP 120 N -0.55 1.06 -3.45 3.53 5.75 -1.26 -4.53 116.55 117.09 1og6 n ASP 120 Ca 0.02 -1.03 -0.12 0.00 -0.01 0.00 0.00 54.79 53.65 1og6 n ASP 120 Cb 0.65 0.88 -0.03 0.00 -1.03 0.00 0.00 41.12 41.59 1og6 n ASP 120 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1og6 s HIS 121 N -2.56 -0.53 0.16 2.11 -3.43 -1.26 -4.56 115.29 105.22 1og6 s HIS 121 Ca 0.09 0.46 0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1og6 s HIS 121 Cb 0.14 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 1og6 s HIS 121 CO 0.67 -0.75 0.08 -0.51 -2.00 0.00 0.00 174.74 172.24 1og6 s LEU 122 N -2.39 3.63 -0.03 5.38 1.43 0.24 -4.96 118.68 121.98 1og6 s LEU 122 Ca -0.01 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1og6 s LEU 122 Cb -0.01 -2.26 -0.25 0.00 0.03 0.00 0.00 46.19 43.70 1og6 s LEU 122 CO -0.08 0.08 0.73 0.44 0.23 0.00 0.00 176.35 177.76 1og6 h ASP 123 N 2.59 0.22 -4.22 2.29 3.32 -1.65 -0.78 116.42 118.18 1og6 h ASP 123 Ca -0.47 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.09 1og6 h ASP 123 Cb 1.20 -0.07 -0.23 0.00 0.22 0.00 0.00 39.33 40.45 1og6 h ASP 123 CO 0.61 1.32 -0.22 -0.22 -1.72 0.00 0.00 179.24 179.02 1og6 s LEU 124 N -6.64 0.46 -0.09 1.55 2.96 -1.05 -0.49 118.68 115.38 1og6 s LEU 124 Ca -0.09 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1og6 s LEU 124 Cb 0.07 1.45 0.01 0.00 0.50 0.00 0.00 46.19 48.23 1og6 s LEU 124 CO 0.82 -0.25 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.25 1og6 s LEU 125 N -0.25 1.66 0.02 -0.68 0.20 0.32 -2.55 118.68 117.40 1og6 s LEU 125 Ca -0.04 -0.36 0.05 0.00 0.69 0.00 0.00 54.13 54.47 1og6 s LEU 125 Cb -0.03 -0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 44.74 1og6 s LEU 125 CO 0.02 0.02 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.24 1og6 s LEU 126 N 0.84 2.98 -0.51 -0.68 1.02 -0.22 -1.54 118.68 120.57 1og6 s LEU 126 Ca -0.11 -0.25 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 1og6 s LEU 126 Cb -0.15 -1.72 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1og6 s LEU 126 CO 0.01 0.27 0.62 0.27 0.02 0.00 0.00 176.35 177.54 1og6 s ILE 127 N -0.98 4.89 0.00 -0.59 -4.36 -1.19 -1.79 121.20 117.18 1og6 s ILE 127 Ca 0.17 -0.56 -0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1og6 s ILE 127 Cb -0.11 -4.31 -0.00 0.00 1.25 0.00 0.00 42.46 39.29 1og6 s ILE 127 CO 0.07 -0.82 0.36 1.57 0.24 0.00 0.00 174.94 176.35 1og6 n HIS 128 N 6.14 -0.00 -4.21 1.37 -0.00 0.11 -2.64 115.22 115.99 1og6 n HIS 128 Ca -0.07 0.01 -0.16 0.00 0.46 0.00 0.00 57.72 57.96 1og6 n HIS 128 Cb 0.45 -0.18 -0.11 0.00 -0.12 0.00 0.00 29.99 30.03 1og6 n HIS 128 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1og6 s ARG 129 N -3.03 0.95 0.24 1.57 0.52 -1.25 -3.94 118.95 114.01 1og6 s ARG 129 Ca -0.00 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1og6 s ARG 129 Cb 0.00 -0.68 -0.10 0.00 0.52 0.00 0.00 34.95 34.69 1og6 s ARG 129 CO 0.00 0.11 1.36 -1.25 0.02 0.00 0.00 175.30 175.55 1og6 s PRO 130 N -2.91 4.33 -0.06 3.54 0.04 -1.26 -4.93 135.00 133.76 1og6 s PRO 130 Ca 0.09 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.36 1og6 s PRO 130 Cb -0.03 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1og6 s PRO 130 CO 0.01 -0.31 -0.21 0.34 0.04 0.00 0.00 177.00 176.88 1og6 s ASP 131 N 0.20 3.45 0.49 6.66 2.15 -1.26 -5.02 116.67 123.33 1og6 s ASP 131 Ca 0.56 -0.40 0.23 0.00 0.43 0.00 0.00 52.55 53.38 1og6 s ASP 131 Cb -0.39 -0.87 1.25 0.00 -0.30 0.00 0.00 42.92 42.61 1og6 s ASP 131 CO 0.43 0.27 2.01 -0.65 -0.17 0.00 0.00 175.17 177.07 1og6 h PRO 132 N 5.87 0.00 -0.62 4.34 0.11 -1.98 -2.27 132.00 137.44 1og6 h PRO 132 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1og6 h PRO 132 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1og6 h PRO 132 CO 0.49 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 1og6 n LEU 133 N -3.82 3.81 -4.71 2.35 4.77 -1.26 -4.97 117.00 113.16 1og6 n LEU 133 Ca -0.02 -1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 53.72 1og6 n LEU 133 Cb 0.27 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1og6 n LEU 133 CO 0.32 0.91 1.13 -0.32 -1.33 0.00 0.00 177.39 178.11 1og6 s MET 134 N -1.18 4.28 -0.36 3.23 1.75 -0.86 -4.94 119.30 121.22 1og6 s MET 134 Ca 0.46 2.18 -0.03 0.00 -1.25 0.00 0.00 55.69 57.05 1og6 s MET 134 Cb 0.25 -3.25 0.08 0.00 2.84 0.00 0.00 34.83 34.75 1og6 s MET 134 CO 0.33 -0.51 0.12 0.34 -0.65 0.00 0.00 175.02 174.64 1og6 s ASP 135 N 1.22 5.12 0.29 1.11 3.68 -1.26 -5.00 116.67 121.83 1og6 s ASP 135 Ca 0.67 -1.67 0.04 0.00 2.13 0.00 0.00 52.55 53.72 1og6 s ASP 135 Cb -0.39 -1.79 0.73 0.00 -1.45 0.00 0.00 42.92 40.03 1og6 s ASP 135 CO 0.30 -0.42 1.70 0.00 0.13 0.00 0.00 175.17 176.89 1og6 h ALA 136 N 8.04 1.47 -0.63 3.66 0.00 -1.93 -0.43 119.26 129.44 1og6 h ALA 136 Ca -0.17 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1og6 h ALA 136 Cb 1.06 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1og6 h ALA 136 CO 0.63 -0.31 0.34 -0.44 0.00 0.00 0.00 179.25 179.46 1og6 h ASP 137 N 0.44 0.50 -0.39 0.00 3.32 -1.95 0.32 116.42 118.67 1og6 h ASP 137 Ca 0.56 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.57 1og6 h ASP 137 Cb 1.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1og6 h ASP 137 CO -0.51 0.33 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.01 1og6 h GLU 138 N 0.64 0.78 0.00 3.56 5.08 -1.47 -0.05 114.58 123.12 1og6 h GLU 138 Ca 0.28 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1og6 h GLU 138 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1og6 h GLU 138 CO -0.18 0.79 -0.03 0.28 -1.00 0.00 0.00 179.01 178.87 1og6 h VAL 139 N 0.73 1.66 -0.63 3.13 2.07 -0.97 -2.62 116.25 119.61 1og6 h VAL 139 Ca 0.14 -1.97 0.13 0.00 0.82 0.00 0.00 66.70 65.82 1og6 h VAL 139 Cb 0.44 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 1og6 h VAL 139 CO 0.02 0.51 0.43 0.00 0.02 0.00 0.00 177.57 178.56 1og6 h ALA 140 N 0.17 2.20 -0.30 1.67 0.00 -0.31 -0.35 119.26 122.34 1og6 h ALA 140 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1og6 h ALA 140 Cb 0.86 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1og6 h ALA 140 CO 0.01 -0.36 -0.45 0.22 0.00 0.00 0.00 179.25 178.66 1og6 h ASP 141 N 0.29 0.85 1.17 0.00 -0.00 -1.00 -2.08 116.42 115.64 1og6 h ASP 141 Ca 0.30 -0.41 -0.06 0.00 -0.00 0.00 0.00 57.03 56.87 1og6 h ASP 141 Cb 0.80 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 1og6 h ASP 141 CO -0.07 1.17 -0.28 0.00 -0.00 0.00 0.00 179.24 180.06 1og6 h ALA 142 N 0.86 0.92 0.05 -0.78 0.00 -0.72 -3.02 119.26 116.57 1og6 h ALA 142 Ca 0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1og6 h ALA 142 Cb 1.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1og6 h ALA 142 CO 0.10 0.35 -0.51 0.74 0.00 0.00 0.00 179.25 179.93 1og6 h PHE 143 N 0.00 0.42 0.33 0.00 0.04 -1.02 -2.72 116.94 113.99 1og6 h PHE 143 Ca -0.00 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1og6 h PHE 143 Cb 0.94 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 1og6 h PHE 143 CO 0.00 1.13 -0.38 0.87 -0.60 0.00 0.00 178.31 179.34 1og6 h LYS 144 N -0.41 -0.72 -0.43 1.51 1.57 -1.40 0.84 116.57 117.54 1og6 h LYS 144 Ca -0.08 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1og6 h LYS 144 Cb 1.31 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.71 1og6 h LYS 144 CO 0.10 -0.48 -0.53 1.25 -0.57 0.00 0.00 179.45 179.22 1og6 h HIS 145 N -0.74 -1.63 -0.08 -1.35 2.76 -1.64 0.42 115.15 112.88 1og6 h HIS 145 Ca -0.02 0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1og6 h HIS 145 Cb 0.69 0.77 -0.00 0.00 1.55 0.00 0.00 27.41 30.41 1og6 h HIS 145 CO -0.23 -0.46 0.12 -0.07 -1.30 0.00 0.00 177.93 175.99 1og6 h LEU 146 N -0.35 0.00 0.08 0.26 3.38 -1.27 -1.93 115.31 115.48 1og6 h LEU 146 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1og6 h LEU 146 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1og6 h LEU 146 CO -0.59 0.00 -0.49 -0.74 0.09 0.00 0.00 178.44 176.71 1og6 h HIS 147 N 0.00 0.29 0.00 1.13 2.76 0.22 -2.32 115.15 117.23 1og6 h HIS 147 Ca 0.04 -0.21 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 1og6 h HIS 147 Cb 0.28 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1og6 h HIS 147 CO 0.00 1.19 -0.11 1.96 -1.30 0.00 0.00 177.93 179.67 1og6 h GLN 148 N -0.66 0.00 -0.24 5.26 4.20 0.02 -1.76 115.11 121.93 1og6 h GLN 148 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1og6 h GLN 148 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1og6 h GLN 148 CO 0.08 0.11 0.00 -1.13 -0.67 0.00 0.00 178.83 177.22 1og6 n SER 149 N -3.71 1.74 -0.30 1.46 3.41 -0.77 -4.92 113.62 110.53 1og6 n SER 149 Ca -0.02 -1.82 -0.04 0.00 -0.26 0.00 0.00 58.87 56.74 1og6 n SER 149 Cb 0.22 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1og6 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1og6 n GLY 150 N 1.10 0.50 0.10 5.00 0.00 -0.66 -4.87 105.19 106.36 1og6 n GLY 150 Ca 0.14 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1og6 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og6 h LYS 151 N 0.20 0.21 -4.58 1.61 1.57 -1.70 -3.43 116.57 110.44 1og6 h LYS 151 Ca -0.08 -0.32 -0.55 0.00 -1.87 0.00 0.00 60.65 57.84 1og6 h LYS 151 Cb 0.80 0.11 -0.34 0.00 0.08 0.00 0.00 32.23 32.88 1og6 h LYS 151 CO 0.12 1.11 -0.82 0.08 -0.57 0.00 0.00 179.45 179.37 1og6 s VAL 152 N -2.83 1.28 -0.08 0.50 1.01 -0.91 0.83 120.40 120.19 1og6 s VAL 152 Ca -0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1og6 s VAL 152 Cb 0.08 -1.18 -0.16 0.00 0.00 0.00 0.00 36.38 35.12 1og6 s VAL 152 CO 0.86 0.39 0.69 0.03 0.00 0.00 0.00 175.10 177.07 1og6 h ARG 153 N 7.34 -0.11 -5.12 2.72 2.47 -1.24 -3.39 114.38 117.05 1og6 h ARG 153 Ca -0.31 0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.08 1og6 h ARG 153 Cb 1.17 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 29.37 1og6 h ARG 153 CO 0.47 0.40 -0.72 -1.01 0.56 0.00 0.00 179.97 179.66 1og6 s HIS 154 N -2.77 1.29 -0.02 3.04 3.76 0.35 -4.98 115.29 115.97 1og6 s HIS 154 Ca -0.12 -0.72 0.06 0.00 -0.15 0.00 0.00 55.06 54.13 1og6 s HIS 154 Cb -0.01 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 1og6 s HIS 154 CO 0.45 0.10 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.19 1og6 s PHE 155 N -3.11 1.73 0.00 1.40 0.40 -1.26 -0.52 117.98 116.62 1og6 s PHE 155 Ca 0.15 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1og6 s PHE 155 Cb 0.01 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.42 1og6 s PHE 155 CO 0.01 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.30 1og6 n GLY 156 N 2.65 4.15 3.24 4.36 0.00 -0.59 -0.70 105.19 118.31 1og6 n GLY 156 Ca -0.15 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 1og6 n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1og6 s VAL 157 N -1.87 0.16 -0.04 1.61 -7.23 -0.82 -3.17 120.40 109.04 1og6 s VAL 157 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1og6 s VAL 157 Cb 0.00 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1og6 s VAL 157 CO 0.00 0.00 0.10 -0.55 -0.31 0.00 0.00 175.10 174.34 1og6 s SER 158 N -3.22 -0.07 -1.57 4.85 0.15 -1.08 -2.02 113.70 110.73 1og6 s SER 158 Ca 0.39 0.20 -0.04 0.00 0.70 0.00 0.00 55.95 57.20 1og6 s SER 158 Cb 0.07 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1og6 s SER 158 CO 0.14 -0.10 0.56 0.59 1.20 0.00 0.00 173.24 175.63 1og6 n ASN 159 N 3.71 -6.12 -4.90 5.45 3.02 -0.55 -3.97 115.26 111.90 1og6 n ASN 159 Ca -0.21 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.79 1og6 n ASN 159 Cb 0.55 -4.94 -0.03 0.00 -0.61 0.00 0.00 39.78 34.74 1og6 n ASN 159 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1og6 s PHE 160 N -3.17 3.47 0.49 3.10 2.99 -1.26 -4.39 117.98 119.21 1og6 s PHE 160 Ca 0.28 0.69 -0.07 0.00 0.00 0.00 0.00 56.93 57.83 1og6 s PHE 160 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 43.02 40.72 1og6 s PHE 160 CO 0.34 0.17 0.82 0.99 -0.00 0.00 0.00 175.22 177.55 1og6 s THR 161 N -2.06 4.86 -0.46 0.64 2.01 -1.26 -4.85 115.64 114.52 1og6 s THR 161 Ca 0.45 0.37 0.19 0.00 0.31 0.00 0.00 61.69 63.01 1og6 s THR 161 Cb -0.11 -3.85 0.20 0.00 0.01 0.00 0.00 72.50 68.75 1og6 s THR 161 CO 0.29 -0.85 1.59 -2.65 -0.69 0.00 0.00 174.62 172.31 1og6 n PRO 162 N -2.20 0.13 -0.02 4.92 -0.02 -1.26 -0.62 135.00 135.93 1og6 n PRO 162 Ca 0.02 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1og6 n PRO 162 Cb 0.55 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1og6 n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1og6 n ALA 163 N -1.72 1.39 0.08 3.55 0.00 -1.26 -2.16 120.51 120.38 1og6 n ALA 163 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 1og6 n ALA 163 Cb 0.12 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1og6 n ALA 163 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1og6 h GLN 164 N 0.01 0.08 -0.10 0.00 4.20 -1.78 -0.99 115.11 116.54 1og6 h GLN 164 Ca -0.33 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 1og6 h GLN 164 Cb 2.03 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.86 1og6 h GLN 164 CO 0.08 1.02 -0.17 0.35 -0.67 0.00 0.00 178.83 179.44 1og6 h PHE 165 N 0.03 0.36 -0.17 2.96 3.57 -1.00 -2.70 116.94 120.00 1og6 h PHE 165 Ca -0.04 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1og6 h PHE 165 Cb 1.75 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1og6 h PHE 165 CO 0.02 0.77 -0.06 0.00 -2.23 0.00 0.00 178.31 176.81 1og6 h ALA 166 N 0.53 1.59 0.21 2.41 0.00 -1.44 -1.58 119.26 120.98 1og6 h ALA 166 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1og6 h ALA 166 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1og6 h ALA 166 CO 0.04 0.30 -0.10 1.25 0.00 0.00 0.00 179.25 180.74 1og6 h LEU 167 N 0.25 -0.24 -0.95 0.00 5.85 -1.11 -2.95 115.31 116.16 1og6 h LEU 167 Ca 0.06 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1og6 h LEU 167 Cb 0.27 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1og6 h LEU 167 CO 0.01 0.12 0.36 0.25 -0.34 0.00 0.00 178.44 178.84 1og6 h LEU 168 N -0.63 1.01 -1.65 2.25 5.85 -1.37 -2.71 115.31 118.07 1og6 h LEU 168 Ca -0.03 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1og6 h LEU 168 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1og6 h LEU 168 CO 0.05 0.86 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.30 1og6 h GLN 169 N 1.10 0.10 0.00 1.25 5.75 -1.32 -2.52 115.11 119.47 1og6 h GLN 169 Ca 0.26 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1og6 h GLN 169 Cb 0.13 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1og6 h GLN 169 CO -0.03 0.21 0.00 0.66 -2.65 0.00 0.00 178.83 177.02 1og6 h SER 170 N 0.10 0.00 -0.01 -0.69 4.64 -1.29 -2.10 113.55 114.19 1og6 h SER 170 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1og6 h SER 170 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1og6 h SER 170 CO 0.01 0.00 -0.33 0.54 -0.87 0.00 0.00 176.83 176.18 1og6 n ARG 171 N -2.74 1.55 -4.26 4.77 5.12 -0.95 -4.98 116.66 115.17 1og6 n ARG 171 Ca -0.01 -0.97 -0.35 0.00 -1.93 0.00 0.00 57.85 54.59 1og6 n ARG 171 Cb 0.16 -1.35 -0.10 0.00 -1.16 0.00 0.00 32.46 30.01 1og6 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1og6 s LEU 172 N -2.11 3.62 0.00 0.55 1.43 -0.79 -4.84 118.68 116.54 1og6 s LEU 172 Ca 0.16 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.64 1og6 s LEU 172 Cb 0.15 -1.86 1.24 0.00 0.03 0.00 0.00 46.19 45.75 1og6 s LEU 172 CO 0.43 0.29 1.89 -0.81 0.23 0.00 0.00 176.35 178.39 1og6 n PRO 173 N 2.75 0.30 -4.87 1.29 -0.04 -1.26 -4.79 135.00 128.39 1og6 n PRO 173 Ca -0.18 -0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 62.96 1og6 n PRO 173 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1og6 n PRO 173 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1og6 s PHE 174 N -2.74 1.72 -0.14 0.54 -0.12 -1.26 -5.10 117.98 110.88 1og6 s PHE 174 Ca 0.22 -0.44 -0.35 0.00 -0.05 0.00 0.00 56.93 56.31 1og6 s PHE 174 Cb 0.19 -1.14 -0.12 0.00 -0.63 0.00 0.00 43.02 41.33 1og6 s PHE 174 CO 0.51 -0.12 1.90 2.41 -0.05 0.00 0.00 175.22 179.88 1og6 n THR 175 N 2.96 0.52 -1.69 -4.49 -1.04 -1.26 -4.90 114.28 104.38 1og6 n THR 175 Ca -0.17 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1og6 n THR 175 Cb 0.53 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 1og6 n THR 175 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1og6 n LEU 176 N 6.92 4.04 0.15 -4.42 4.77 -1.26 -4.77 117.00 122.43 1og6 n LEU 176 Ca 0.25 0.98 0.13 0.00 -0.03 0.00 0.00 56.01 57.33 1og6 n LEU 176 Cb 0.28 -1.54 0.51 0.00 -2.33 0.00 0.00 43.42 40.34 1og6 n LEU 176 CO 0.74 0.17 0.87 0.00 -1.33 0.00 0.00 177.39 177.85 1og6 h ALA 177 N 8.74 1.00 -1.64 -1.18 0.00 -1.26 -3.48 119.26 121.44 1og6 h ALA 177 Ca -0.47 0.00 0.37 0.00 0.00 0.00 0.00 54.91 54.81 1og6 h ALA 177 Cb 1.22 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1og6 h ALA 177 CO 0.95 0.00 0.94 -0.08 0.00 0.00 0.00 179.25 181.05 1og6 s THR 178 N -3.35 0.00 -0.41 0.00 -1.32 -1.26 -4.39 115.64 104.91 1og6 s THR 178 Ca 0.04 -0.10 0.04 0.00 -1.21 0.00 0.00 61.69 60.46 1og6 s THR 178 Cb 0.09 -2.48 0.17 0.00 -1.51 0.00 0.00 72.50 68.77 1og6 s THR 178 CO 0.42 0.00 0.37 0.21 -2.21 0.00 0.00 174.62 173.41 1og6 s ASN 179 N -3.44 1.27 -0.36 8.08 2.47 -1.25 -1.94 114.94 119.78 1og6 s ASN 179 Ca 0.23 -2.67 -0.28 0.00 0.42 0.00 0.00 52.86 50.56 1og6 s ASN 179 Cb 0.03 -0.07 -0.07 0.00 -1.45 0.00 0.00 41.25 39.69 1og6 s ASN 179 CO -0.04 -0.18 2.31 1.67 -3.72 0.00 0.00 177.10 177.14 1og6 n GLN 180 N 3.14 1.48 -4.45 0.43 7.27 -0.86 -4.24 117.38 120.15 1og6 n GLN 180 Ca 0.24 0.28 -0.22 0.00 0.07 0.00 0.00 57.00 57.38 1og6 n GLN 180 Cb 0.47 -3.23 -0.11 0.00 2.41 0.00 0.00 30.24 29.79 1og6 n GLN 180 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1og6 s VAL 181 N 9.88 1.40 -0.18 1.69 -7.23 -0.50 -1.49 120.40 123.97 1og6 s VAL 181 Ca 1.01 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.91 1og6 s VAL 181 Cb -0.33 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 1og6 s VAL 181 CO 0.33 -0.12 0.75 -0.70 -0.31 0.00 0.00 175.10 175.05 1og6 s GLU 182 N -3.82 4.27 -0.06 4.82 2.12 -1.26 -1.49 118.70 123.28 1og6 s GLU 182 Ca 0.34 0.87 -0.02 0.00 0.36 0.00 0.00 54.97 56.52 1og6 s GLU 182 Cb 0.07 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.92 1og6 s GLU 182 CO 0.14 -0.28 0.02 0.42 -0.54 0.00 0.00 175.26 175.03 1og6 s ILE 183 N 2.01 0.18 0.14 -3.70 1.01 -1.19 -4.86 121.20 114.80 1og6 s ILE 183 Ca 0.35 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.00 1og6 s ILE 183 Cb -0.16 -0.38 0.07 0.00 0.01 0.00 0.00 42.46 41.99 1og6 s ILE 183 CO 0.12 0.23 0.71 -0.94 0.00 0.00 0.00 174.94 175.06 1og6 s SER 184 N 2.05 -0.44 0.43 3.58 1.04 -1.19 -4.21 113.70 114.96 1og6 s SER 184 Ca 0.05 -0.14 0.30 0.00 0.48 0.00 0.00 55.95 56.64 1og6 s SER 184 Cb -0.12 0.57 1.52 0.00 0.10 0.00 0.00 66.02 68.08 1og6 s SER 184 CO -0.04 -0.95 1.90 -0.65 0.98 0.00 0.00 173.24 174.47 1og6 h PRO 185 N 2.00 0.00 -0.02 4.02 0.11 -1.91 -0.74 132.00 135.46 1og6 h PRO 185 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1og6 h PRO 185 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1og6 h PRO 185 CO 0.33 0.00 -0.20 1.33 -0.21 0.00 0.00 178.00 179.25 1og6 n VAL 186 N -2.56 0.00 -3.42 3.15 0.24 -1.26 -4.72 118.33 109.75 1og6 n VAL 186 Ca -0.01 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.34 61.70 1og6 n VAL 186 Cb 0.10 1.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.55 1og6 n VAL 186 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1og6 s HIS 187 N -2.22 0.23 -1.46 6.34 5.65 -0.28 -5.03 115.29 118.52 1og6 s HIS 187 Ca 0.25 -1.19 0.14 0.00 0.25 0.00 0.00 55.06 54.51 1og6 s HIS 187 Cb 0.19 -0.69 0.04 0.00 -1.18 0.00 0.00 32.58 30.95 1og6 s HIS 187 CO 0.42 -0.89 0.84 1.04 -0.65 0.00 0.00 174.74 175.50 1og6 n GLN 188 N 4.26 1.49 -0.24 2.88 6.02 -1.25 -3.17 117.38 127.37 1og6 n GLN 188 Ca 0.10 -0.98 0.31 0.00 -0.01 0.00 0.00 57.00 56.42 1og6 n GLN 188 Cb 0.41 -1.23 0.59 0.00 1.02 0.00 0.00 30.24 31.04 1og6 n GLN 188 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1og6 h PRO 189 N 2.04 0.00 0.00 -1.09 0.13 -1.95 0.28 132.00 131.42 1og6 h PRO 189 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1og6 h PRO 189 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1og6 h PRO 189 CO 0.00 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.63 1og6 h LEU 190 N 0.00 0.00 -0.87 1.56 4.07 -1.89 0.35 115.31 118.54 1og6 h LEU 190 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.47 1og6 h LEU 190 Cb 2.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.35 1og6 h LEU 190 CO -0.01 0.03 0.00 -0.07 -1.08 0.00 0.00 178.44 177.32 1og6 h LEU 191 N 0.00 0.00 -0.02 1.67 4.07 -0.78 -3.13 115.31 117.12 1og6 h LEU 191 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1og6 h LEU 191 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1og6 h LEU 191 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1og6 n LEU 192 N -2.65 0.02 -0.18 1.67 -0.00 -1.20 -4.75 117.00 109.91 1og6 n LEU 192 Ca 0.02 -0.21 0.11 0.00 -0.00 0.00 0.00 56.01 55.93 1og6 n LEU 192 Cb 0.31 0.00 0.57 0.00 -0.00 0.00 0.00 43.42 44.30 1og6 n LEU 192 CO 0.25 0.00 0.88 -0.90 -0.00 0.00 0.00 177.39 177.62 1og6 n ASP 193 N -0.40 0.54 0.00 1.45 3.85 0.11 -4.88 116.55 117.22 1og6 n ASP 193 Ca 0.00 -1.43 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 1og6 n ASP 193 Cb 0.01 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1og6 n ASP 193 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1og6 n GLY 194 N 0.94 0.75 0.08 6.12 0.00 -1.26 -4.96 105.19 106.85 1og6 n GLY 194 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1og6 n GLY 194 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1og6 h THR 195 N 0.00 1.48 0.00 2.61 2.02 -1.90 -3.07 112.91 114.05 1og6 h THR 195 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1og6 h THR 195 Cb 0.00 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1og6 h THR 195 CO 0.00 0.41 0.00 0.18 0.37 0.00 0.00 175.52 176.48 1og6 n LEU 196 N -4.71 0.56 0.07 2.58 4.77 -1.18 -2.85 117.00 116.25 1og6 n LEU 196 Ca -0.09 0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 56.38 1og6 n LEU 196 Cb 0.35 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1og6 n LEU 196 CO 0.35 -0.27 0.28 0.44 -1.33 0.00 0.00 177.39 176.87 1og6 h ASP 197 N 0.00 0.40 0.32 -1.43 3.32 -1.83 -2.03 116.42 115.16 1og6 h ASP 197 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1og6 h ASP 197 Cb 0.55 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1og6 h ASP 197 CO 0.00 1.06 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.82 1og6 h GLN 198 N 0.20 -0.41 -0.77 3.56 4.15 -1.42 -1.90 115.11 118.52 1og6 h GLN 198 Ca -0.05 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1og6 h GLN 198 Cb 1.43 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 29.13 1og6 h GLN 198 CO 0.14 -0.08 0.36 -0.07 -1.93 0.00 0.00 178.83 177.25 1og6 h LEU 199 N -0.84 0.43 -0.71 -2.39 3.38 -1.56 0.13 115.31 113.74 1og6 h LEU 199 Ca -0.04 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1og6 h LEU 199 Cb 0.52 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1og6 h LEU 199 CO 0.07 0.21 0.05 -0.61 0.09 0.00 0.00 178.44 178.25 1og6 h GLN 200 N 0.56 1.04 -0.54 1.13 4.15 -1.39 0.39 115.11 120.46 1og6 h GLN 200 Ca 0.40 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1og6 h GLN 200 Cb 0.53 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1og6 h GLN 200 CO -0.34 0.99 0.21 0.37 -1.93 0.00 0.00 178.83 178.13 1og6 h GLN 201 N 0.96 0.78 -0.01 1.69 4.15 -0.07 -2.39 115.11 120.21 1og6 h GLN 201 Ca 0.18 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1og6 h GLN 201 Cb 0.48 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1og6 h GLN 201 CO 0.02 0.64 -0.19 1.28 -1.93 0.00 0.00 178.83 178.66 1og6 n LEU 202 N -4.33 1.56 -2.09 -2.39 4.77 0.24 -4.94 117.00 109.81 1og6 n LEU 202 Ca 0.04 -0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 55.36 1og6 n LEU 202 Cb 0.16 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1og6 n LEU 202 CO 0.38 0.28 -0.11 0.54 -1.33 0.00 0.00 177.39 177.15 1og6 n ARG 203 N -0.07 -2.49 -3.62 3.23 1.74 -0.01 -4.75 116.66 110.70 1og6 n ARG 203 Ca 0.14 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.56 1og6 n ARG 203 Cb 0.40 -5.15 -0.11 0.00 -1.02 0.00 0.00 32.46 26.57 1og6 n ARG 203 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1og6 s VAL 204 N -2.91 4.55 -0.05 1.55 1.01 -0.37 -4.25 120.40 119.93 1og6 s VAL 204 Ca 0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1og6 s VAL 204 Cb -0.05 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1og6 s VAL 204 CO 0.14 -0.15 1.21 -0.13 0.00 0.00 0.00 175.10 176.16 1og6 s ARG 205 N 1.56 4.35 0.14 2.72 3.00 -0.07 -4.51 118.95 126.14 1og6 s ARG 205 Ca 0.03 1.68 -0.24 0.00 0.00 0.00 0.00 55.73 57.20 1og6 s ARG 205 Cb -0.19 -3.55 -0.08 0.00 0.00 0.00 0.00 34.95 31.14 1og6 s ARG 205 CO 0.06 -0.45 0.73 -1.25 0.00 0.00 0.00 175.30 174.40 1og6 s PRO 206 N 2.19 4.49 -0.08 3.54 0.04 -1.26 -4.50 135.00 139.42 1og6 s PRO 206 Ca 0.56 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1og6 s PRO 206 Cb -0.25 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1og6 s PRO 206 CO 0.22 0.57 0.76 -1.64 0.04 0.00 0.00 177.00 176.95 1og6 s MET 207 N -1.06 4.42 -0.30 4.56 -1.94 -1.26 -1.17 119.30 122.55 1og6 s MET 207 Ca 0.35 0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 55.19 1og6 s MET 207 Cb -0.22 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 1og6 s MET 207 CO 0.25 -0.03 0.20 0.00 -0.01 0.00 0.00 175.02 175.42 1og6 s ALA 208 N 1.11 3.48 0.35 3.03 0.00 -0.51 -1.41 121.76 127.81 1og6 s ALA 208 Ca 0.40 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1og6 s ALA 208 Cb -0.18 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1og6 s ALA 208 CO 0.18 -0.71 0.55 1.67 0.00 0.00 0.00 175.76 177.45 1og6 s TRP 209 N 1.73 3.43 -0.93 0.00 1.48 -0.55 -1.73 118.94 122.36 1og6 s TRP 209 Ca 0.06 0.27 -0.12 0.00 -1.06 0.00 0.00 56.10 55.25 1og6 s TRP 209 Cb -0.16 -1.94 0.02 0.00 -1.16 0.00 0.00 33.47 30.23 1og6 s TRP 209 CO 0.10 0.07 0.61 0.43 -4.06 0.00 0.00 176.95 174.09 1og6 n SER 210 N -1.79 -4.37 0.12 -2.66 7.64 -1.26 -3.16 113.62 108.14 1og6 n SER 210 Ca -0.04 -1.07 -0.02 0.00 1.01 0.00 0.00 58.87 58.76 1og6 n SER 210 Cb 0.57 -1.53 0.10 0.00 -1.01 0.00 0.00 64.21 62.34 1og6 n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1og6 n LEU 212 N -3.63 5.14 -3.60 0.00 4.32 -1.26 -4.43 117.00 113.53 1og6 n LEU 212 Ca -0.01 -2.60 -0.21 0.00 -0.02 0.00 0.00 56.01 53.17 1og6 n LEU 212 Cb 0.70 -0.64 0.06 0.00 -1.62 0.00 0.00 43.42 41.92 1og6 n LEU 212 CO 0.43 0.65 0.08 0.61 -1.22 0.00 0.00 177.39 177.94 1og6 n GLY 213 N 0.74 -0.39 3.65 -0.72 0.00 -1.03 -0.46 105.19 106.97 1og6 n GLY 213 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1og6 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 214 N -1.50 0.42 0.00 -0.02 0.00 -1.26 -2.04 105.19 100.78 1og6 n GLY 214 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1og6 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 215 N -2.00 0.55 0.00 -0.02 0.00 0.39 -4.95 105.19 99.16 1og6 n GLY 215 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1og6 n GLY 215 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1og6 n ARG 216 N -1.66 0.95 0.04 1.61 1.85 -0.87 -2.80 116.66 115.79 1og6 n ARG 216 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1og6 n ARG 216 Cb 0.00 -1.19 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 1og6 n ARG 216 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1og6 h LEU 217 N 0.00 0.55 0.00 2.89 6.46 -1.78 -2.27 115.31 121.16 1og6 h LEU 217 Ca 0.00 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1og6 h LEU 217 Cb 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1og6 h LEU 217 CO 0.00 1.13 -0.85 0.49 -0.62 0.00 0.00 178.44 178.59 1og6 n PHE 218 N -3.84 0.48 -0.04 1.25 3.01 -1.12 -4.63 117.46 112.57 1og6 n PHE 218 Ca -0.05 0.14 -0.04 0.00 1.01 0.00 0.00 57.45 58.51 1og6 n PHE 218 Cb 0.73 -0.60 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 1og6 n PHE 218 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1og6 n ASN 219 N -2.12 0.91 -4.49 4.37 3.02 -1.21 -5.00 115.26 110.74 1og6 n ASN 219 Ca 0.02 0.18 -0.55 0.00 -0.03 0.00 0.00 54.58 54.20 1og6 n ASN 219 Cb 0.45 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1og6 n ASN 219 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1og6 n ASP 220 N -3.42 -0.10 -0.08 6.41 10.43 -0.86 -4.85 116.55 124.08 1og6 n ASP 220 Ca -0.06 1.15 -0.08 0.00 2.57 0.00 0.00 54.79 58.36 1og6 n ASP 220 Cb 0.24 -0.97 -0.01 0.00 1.84 0.00 0.00 41.12 42.22 1og6 n ASP 220 CO 0.00 0.00 0.00 -0.78 -1.07 0.00 0.00 177.20 175.35 1og6 h ASP 221 N 2.63 0.27 -0.65 -2.24 3.58 -1.95 -3.00 116.42 115.07 1og6 h ASP 221 Ca -0.45 0.01 0.19 0.00 0.42 0.00 0.00 57.03 57.20 1og6 h ASP 221 Cb 1.42 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.39 1og6 h ASP 221 CO 0.64 0.20 1.00 0.22 -2.88 0.00 0.00 179.24 178.42 1og6 h TYR 222 N 0.34 0.00 -1.22 0.28 3.20 -1.95 -2.65 116.97 114.98 1og6 h TYR 222 Ca 0.12 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.35 1og6 h TYR 222 Cb 0.01 0.00 -0.35 0.00 1.54 0.00 0.00 36.73 37.93 1og6 h TYR 222 CO -0.08 0.00 0.10 1.19 -1.64 0.00 0.00 178.16 177.73 1og6 n PHE 223 N -3.12 3.07 -0.02 -3.82 3.01 -1.13 -4.71 117.46 110.75 1og6 n PHE 223 Ca 0.14 -2.67 -0.16 0.00 1.01 0.00 0.00 57.45 55.77 1og6 n PHE 223 Cb 1.21 -0.81 -0.11 0.00 -0.01 0.00 0.00 39.48 39.76 1og6 n PHE 223 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1og6 h GLN 224 N 2.36 0.28 -0.92 -1.08 5.75 -1.70 -2.70 115.11 117.10 1og6 h GLN 224 Ca 0.47 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.76 1og6 h GLN 224 Cb 0.90 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.46 1og6 h GLN 224 CO 1.17 0.99 0.58 -1.35 -2.65 0.00 0.00 178.83 177.57 1og6 h PRO 225 N -0.31 0.98 -0.64 -2.39 0.11 -1.84 -0.43 132.00 127.48 1og6 h PRO 225 Ca -0.05 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 1og6 h PRO 225 Cb 1.12 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1og6 h PRO 225 CO 0.08 0.65 0.06 1.25 -0.21 0.00 0.00 178.00 179.82 1og6 h LEU 226 N 1.01 1.05 -0.60 2.35 5.85 -1.60 -1.87 115.31 121.50 1og6 h LEU 226 Ca 0.42 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1og6 h LEU 226 Cb 0.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1og6 h LEU 226 CO -0.20 1.07 -0.44 0.03 -0.34 0.00 0.00 178.44 178.56 1og6 h ARG 227 N 1.01 0.60 -0.03 1.25 3.08 -1.05 -0.17 114.38 119.07 1og6 h ARG 227 Ca 0.19 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 1og6 h ARG 227 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1og6 h ARG 227 CO 0.02 0.92 -0.25 -0.44 -1.07 0.00 0.00 179.97 179.15 1og6 h ASP 228 N 0.49 0.04 0.04 7.04 3.45 -0.86 -1.89 116.42 124.73 1og6 h ASP 228 Ca 0.03 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 1og6 h ASP 228 Cb 0.96 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.73 1og6 h ASP 228 CO 0.09 0.30 -0.41 -0.33 -1.57 0.00 0.00 179.24 177.32 1og6 h GLU 229 N 0.04 0.21 -0.04 3.56 4.39 -0.87 -2.56 114.58 119.30 1og6 h GLU 229 Ca 0.01 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.44 1og6 h GLU 229 Cb 0.47 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1og6 h GLU 229 CO 0.03 1.06 0.08 -0.07 -1.16 0.00 0.00 179.01 178.95 1og6 h LEU 230 N -0.51 0.00 0.16 1.33 3.38 -0.92 0.87 115.31 119.61 1og6 h LEU 230 Ca -0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1og6 h LEU 230 Cb 1.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.00 1og6 h LEU 230 CO 0.08 0.00 -1.31 0.00 0.09 0.00 0.00 178.44 177.29 1og6 h ALA 231 N 1.89 0.01 -0.06 1.53 0.00 -1.30 -2.34 119.26 118.99 1og6 h ALA 231 Ca 0.02 -0.86 -0.21 0.00 0.00 0.00 0.00 54.91 53.86 1og6 h ALA 231 Cb 0.17 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1og6 h ALA 231 CO -0.00 0.86 -0.76 0.28 0.00 0.00 0.00 179.25 179.62 1og6 h VAL 232 N 0.11 1.33 0.00 0.00 2.07 -0.51 -2.96 116.25 116.30 1og6 h VAL 232 Ca -0.18 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1og6 h VAL 232 Cb 2.02 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 1og6 h VAL 232 CO 0.23 0.63 0.00 0.58 0.02 0.00 0.00 177.57 179.03 1og6 h VAL 233 N 0.26 0.00 0.40 2.57 2.07 -1.05 -2.37 116.25 118.14 1og6 h VAL 233 Ca -0.08 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1og6 h VAL 233 Cb 1.42 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1og6 h VAL 233 CO 0.15 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.55 1og6 h ALA 234 N 2.14 -0.73 -0.50 1.67 0.00 -1.26 -0.99 119.26 119.59 1og6 h ALA 234 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1og6 h ALA 234 Cb 0.51 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1og6 h ALA 234 CO 0.00 -0.69 0.09 1.05 0.00 0.00 0.00 179.25 179.70 1og6 h GLU 235 N -0.81 0.22 -0.78 0.00 4.11 -1.52 1.10 114.58 116.90 1og6 h GLU 235 Ca -0.05 -0.01 0.19 0.00 0.07 0.00 0.00 59.36 59.55 1og6 h GLU 235 Cb 0.41 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 1og6 h GLU 235 CO 0.09 0.15 0.10 0.93 0.07 0.00 0.00 179.01 180.34 1og6 h GLU 236 N 0.23 0.16 0.00 1.06 5.08 -1.44 0.19 114.58 119.85 1og6 h GLU 236 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1og6 h GLU 236 Cb 0.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1og6 h GLU 236 CO -0.33 0.10 -0.45 1.28 -1.00 0.00 0.00 179.01 178.61 1og6 n LEU 237 N -5.28 0.46 -2.33 1.33 4.77 -0.08 -4.93 117.00 110.94 1og6 n LEU 237 Ca 0.16 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1og6 n LEU 237 Cb 0.52 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1og6 n LEU 237 CO 0.07 0.09 0.09 -3.20 -1.33 0.00 0.00 177.39 173.11 1og6 n ASN 238 N -1.56 -4.76 -4.82 -1.43 2.85 0.36 -4.90 115.26 101.01 1og6 n ASN 238 Ca 0.05 -0.28 -0.33 0.00 -0.11 0.00 0.00 54.58 53.91 1og6 n ASN 238 Cb 0.35 -3.47 -0.05 0.00 1.24 0.00 0.00 39.78 37.85 1og6 n ASN 238 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1og6 s ALA 239 N -3.10 3.00 0.02 5.20 0.00 -0.14 -4.99 121.76 121.74 1og6 s ALA 239 Ca 0.31 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 1og6 s ALA 239 Cb -0.13 -3.17 -0.18 0.00 0.00 0.00 0.00 23.12 19.64 1og6 s ALA 239 CO 0.38 -0.07 1.40 0.78 0.00 0.00 0.00 175.76 178.25 1og6 h GLY 240 N 1.57 -0.08 -2.73 0.00 0.00 -1.93 -3.44 103.07 96.46 1og6 h GLY 240 Ca -0.49 0.03 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1og6 h GLY 240 CO 0.61 -0.03 -0.48 -1.35 0.00 0.00 0.00 176.54 175.29 1og6 s SER 241 N -5.44 0.15 0.50 0.19 1.04 -1.26 -5.04 113.70 103.84 1og6 s SER 241 Ca -0.15 -1.09 0.23 0.00 0.48 0.00 0.00 55.95 55.43 1og6 s SER 241 Cb 0.03 0.39 1.30 0.00 0.10 0.00 0.00 66.02 67.84 1og6 s SER 241 CO 0.65 -0.84 2.04 0.16 0.98 0.00 0.00 173.24 176.22 1og6 h ILE 242 N 2.65 0.74 -0.15 -1.02 3.07 -1.91 -2.36 117.51 118.53 1og6 h ILE 242 Ca -0.33 -0.59 -0.00 0.00 1.55 0.00 0.00 64.86 65.48 1og6 h ILE 242 Cb 1.22 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 1og6 h ILE 242 CO 0.52 0.15 0.09 -0.33 -1.05 0.00 0.00 178.15 177.52 1og6 h GLU 243 N 0.00 0.21 -0.92 0.16 3.07 -1.96 -2.06 114.58 113.08 1og6 h GLU 243 Ca -0.00 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1og6 h GLU 243 Cb 0.35 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.12 1og6 h GLU 243 CO 0.02 0.20 0.52 1.96 -1.40 0.00 0.00 179.01 180.31 1og6 h GLN 244 N 0.16 0.74 -0.76 2.33 4.20 -1.75 0.68 115.11 120.71 1og6 h GLN 244 Ca 0.05 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1og6 h GLN 244 Cb 0.05 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1og6 h GLN 244 CO -0.01 0.49 0.24 0.28 -0.67 0.00 0.00 178.83 179.16 1og6 h VAL 245 N 0.76 1.26 -0.63 -0.54 2.07 -1.42 0.19 116.25 117.95 1og6 h VAL 245 Ca 0.49 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1og6 h VAL 245 Cb 0.64 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1og6 h VAL 245 CO -0.33 0.36 0.30 0.58 0.02 0.00 0.00 177.57 178.50 1og6 h VAL 246 N 1.12 1.20 -0.18 2.57 2.07 -0.25 0.51 116.25 123.29 1og6 h VAL 246 Ca 0.24 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1og6 h VAL 246 Cb 0.30 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1og6 h VAL 246 CO -0.01 0.24 -0.38 0.78 0.02 0.00 0.00 177.57 178.22 1og6 h ASN 247 N 0.88 0.66 -0.31 0.57 2.35 -0.35 -2.78 115.58 116.60 1og6 h ASN 247 Ca 0.22 -0.55 -0.04 0.00 -0.55 0.00 0.00 56.30 55.37 1og6 h ASN 247 Cb 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1og6 h ASN 247 CO -0.03 1.09 0.06 0.00 -1.65 0.00 0.00 177.43 176.90 1og6 h ALA 248 N 0.58 1.38 -0.67 -0.83 0.00 0.01 -0.95 119.26 118.79 1og6 h ALA 248 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1og6 h ALA 248 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1og6 h ALA 248 CO 0.08 0.44 0.29 2.35 0.00 0.00 0.00 179.25 182.41 1og6 h TRP 249 N 0.57 0.97 0.03 0.00 7.01 0.06 -2.30 115.95 122.30 1og6 h TRP 249 Ca 0.13 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1og6 h TRP 249 Cb 0.27 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1og6 h TRP 249 CO 0.01 0.73 -0.02 0.28 -2.79 0.00 0.00 178.44 176.66 1og6 h VAL 250 N 0.96 1.39 -0.97 2.65 2.07 -1.07 -3.28 116.25 118.00 1og6 h VAL 250 Ca 0.23 -1.58 0.16 0.00 0.82 0.00 0.00 66.70 66.32 1og6 h VAL 250 Cb 0.15 2.41 -0.09 0.00 -1.52 0.00 0.00 31.29 32.25 1og6 h VAL 250 CO -0.02 0.39 0.61 -0.07 0.02 0.00 0.00 177.57 178.49 1og6 h LEU 251 N -0.77 0.77 -1.93 2.57 -0.00 -1.19 -1.51 115.31 113.25 1og6 h LEU 251 Ca -0.00 0.06 0.27 0.00 -0.00 0.00 0.00 57.88 58.20 1og6 h LEU 251 Cb 0.67 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 1og6 h LEU 251 CO 0.01 0.36 0.67 -0.09 -0.00 0.00 0.00 178.44 179.38 1og6 h ARG 252 N 0.80 0.05 -6.76 1.13 9.65 -1.47 -3.42 114.38 114.37 1og6 h ARG 252 Ca 0.51 -0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.81 1og6 h ARG 252 Cb 0.74 -0.01 0.14 0.00 -1.39 0.00 0.00 29.97 29.45 1og6 h ARG 252 CO -0.28 0.03 0.21 1.28 2.80 0.00 0.00 179.97 184.02 1og6 n LEU 253 N -4.29 3.32 0.27 3.80 4.77 -0.57 -4.91 117.00 119.39 1og6 n LEU 253 Ca 0.20 0.96 0.17 0.00 -0.03 0.00 0.00 56.01 57.30 1og6 n LEU 253 Cb 0.97 -1.40 0.69 0.00 -2.33 0.00 0.00 43.42 41.36 1og6 n LEU 253 CO 0.38 -1.47 0.99 1.55 -1.33 0.00 0.00 177.39 177.51 1og6 h PRO 254 N 1.22 0.00 -0.00 3.23 0.13 -1.90 -2.59 132.00 132.09 1og6 h PRO 254 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1og6 h PRO 254 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1og6 h PRO 254 CO 0.55 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.19 1og6 n SER 255 N -3.03 0.02 -3.31 1.44 3.41 -1.26 -4.94 113.62 105.94 1og6 n SER 255 Ca 0.01 -1.22 -0.18 0.00 -0.26 0.00 0.00 58.87 57.22 1og6 n SER 255 Cb 0.29 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1og6 n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1og6 n GLN 256 N -0.88 -1.80 -1.76 4.33 6.02 -0.98 -4.34 117.38 117.98 1og6 n GLN 256 Ca 0.19 1.45 -0.31 0.00 -0.01 0.00 0.00 57.00 58.32 1og6 n GLN 256 Cb 0.09 -3.90 0.03 0.00 1.02 0.00 0.00 30.24 27.48 1og6 n GLN 256 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1og6 s PRO 257 N -3.26 3.16 -0.55 -1.09 0.04 -1.26 -4.37 135.00 127.66 1og6 s PRO 257 Ca 0.16 0.75 -0.05 0.00 0.04 0.00 0.00 61.00 61.91 1og6 s PRO 257 Cb -0.03 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.63 1og6 s PRO 257 CO 0.83 -0.89 0.37 -0.51 0.04 0.00 0.00 177.00 176.84 1og6 s LEU 258 N -5.37 5.41 0.21 -3.56 1.43 -0.32 -4.78 118.68 111.71 1og6 s LEU 258 Ca 0.57 -2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 50.91 1og6 s LEU 258 Cb -0.12 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1og6 s LEU 258 CO 0.54 -0.49 1.53 -2.16 0.23 0.00 0.00 176.35 176.00 1og6 s PRO 259 N 0.54 4.22 -0.29 1.29 0.04 -1.21 -1.43 135.00 138.16 1og6 s PRO 259 Ca 0.13 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1og6 s PRO 259 Cb -0.21 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1og6 s PRO 259 CO -0.04 -0.55 0.43 0.42 0.04 0.00 0.00 177.00 177.30 1og6 s ILE 260 N 0.58 5.12 0.09 0.56 1.01 -0.71 -2.46 121.20 125.38 1og6 s ILE 260 Ca 0.65 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 1og6 s ILE 260 Cb -0.44 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1og6 s ILE 260 CO 0.38 0.04 1.02 -0.63 0.00 0.00 0.00 174.94 175.74 1og6 s ILE 261 N 2.18 4.45 -0.06 2.92 1.01 -0.28 -4.67 121.20 126.74 1og6 s ILE 261 Ca 0.17 1.93 0.09 0.00 0.00 0.00 0.00 60.65 62.84 1og6 s ILE 261 Cb -0.16 -4.23 0.14 0.00 0.01 0.00 0.00 42.46 38.22 1og6 s ILE 261 CO 0.11 0.24 1.04 0.61 0.00 0.00 0.00 174.94 176.94 1og6 n GLY 262 N 2.50 3.29 3.73 6.18 0.00 -1.26 -0.38 105.19 119.26 1og6 n GLY 262 Ca 0.04 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1og6 n GLY 262 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1og6 s SER 263 N -1.86 7.30 0.00 1.61 0.15 -1.26 -4.88 113.70 114.75 1og6 s SER 263 Ca 0.16 1.56 0.09 0.00 0.70 0.00 0.00 55.95 58.46 1og6 s SER 263 Cb 0.14 -2.52 0.29 0.00 -1.71 0.00 0.00 66.02 62.22 1og6 s SER 263 CO 0.01 -0.10 1.23 0.61 1.20 0.00 0.00 173.24 176.19 1og6 n GLY 264 N 2.60 0.21 3.23 9.45 0.00 -1.26 -4.73 105.19 114.70 1og6 n GLY 264 Ca 0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1og6 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1og6 s LYS 265 N -1.66 2.94 0.54 1.61 1.02 -1.26 -4.99 119.74 117.93 1og6 s LYS 265 Ca 0.19 -0.91 0.25 0.00 0.02 0.00 0.00 55.97 55.51 1og6 s LYS 265 Cb 0.10 -3.03 1.41 0.00 -0.52 0.00 0.00 37.83 35.78 1og6 s LYS 265 CO 0.13 -0.38 2.02 0.97 -0.92 0.00 0.00 175.35 177.18 1og6 h ILE 266 N 6.04 0.73 -0.48 2.17 6.09 -1.98 0.25 117.51 130.33 1og6 h ILE 266 Ca -0.34 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.05 1og6 h ILE 266 Cb 1.12 0.77 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 1og6 h ILE 266 CO 0.58 0.00 -0.08 1.05 -3.07 0.00 0.00 178.15 176.63 1og6 h GLU 267 N 0.00 0.90 -0.11 2.19 9.09 -1.97 -0.90 114.58 123.78 1og6 h GLU 267 Ca 0.20 -0.33 -0.11 0.00 0.05 0.00 0.00 59.36 59.17 1og6 h GLU 267 Cb 0.84 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1og6 h GLU 267 CO -0.00 0.98 -0.44 0.00 0.05 0.00 0.00 179.01 179.59 1og6 h ARG 268 N 0.75 0.25 0.00 1.06 3.08 -1.40 -0.93 114.38 117.19 1og6 h ARG 268 Ca 0.13 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1og6 h ARG 268 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1og6 h ARG 268 CO 0.04 0.65 0.00 0.28 -1.07 0.00 0.00 179.97 179.87 1og6 h VAL 269 N 0.21 0.00 0.03 2.04 2.07 -0.83 -2.08 116.25 117.68 1og6 h VAL 269 Ca 0.02 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 1og6 h VAL 269 Cb 0.87 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1og6 h VAL 269 CO 0.07 0.00 -1.01 0.03 0.02 0.00 0.00 177.57 176.68 1og6 h ARG 270 N 0.00 0.05 0.22 1.57 3.08 -0.18 -3.33 114.38 115.79 1og6 h ARG 270 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1og6 h ARG 270 Cb 0.49 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1og6 h ARG 270 CO 0.00 1.04 -0.12 0.00 -1.07 0.00 0.00 179.97 179.82 1og6 h ALA 271 N -0.27 -0.31 -0.88 0.04 0.00 -1.13 -3.07 119.26 113.63 1og6 h ALA 271 Ca -0.26 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.73 1og6 h ALA 271 Cb 1.34 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1og6 h ALA 271 CO -0.10 -0.68 0.48 0.00 0.00 0.00 0.00 179.25 178.95 1og6 h ALA 272 N 0.46 1.34 0.00 0.00 0.00 -1.58 0.31 119.26 119.80 1og6 h ALA 272 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1og6 h ALA 272 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1og6 h ALA 272 CO 0.03 -0.03 0.00 1.55 0.00 0.00 0.00 179.25 180.80 1og6 n VAL 273 N -4.82 1.16 0.80 0.00 3.14 -1.16 -1.93 118.33 115.53 1og6 n VAL 273 Ca 0.18 0.37 0.13 0.00 -2.96 0.00 0.00 64.34 62.06 1og6 n VAL 273 Cb 0.43 -1.26 0.50 0.00 -1.06 0.00 0.00 33.84 32.45 1og6 n VAL 273 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1og6 n GLU 274 N -1.82 0.14 0.00 1.45 -0.58 0.10 -3.23 120.64 116.69 1og6 n GLU 274 Ca 0.02 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.94 1og6 n GLU 274 Cb 0.13 -1.66 0.39 0.00 -0.57 0.00 0.00 31.44 29.73 1og6 n GLU 274 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1og6 n ALA 275 N -1.65 1.90 1.32 0.62 0.00 -0.81 -2.62 120.51 119.26 1og6 n ALA 275 Ca 0.06 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1og6 n ALA 275 Cb 0.39 -1.23 0.68 0.00 0.00 0.00 0.00 19.45 19.28 1og6 n ALA 275 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1og6 n GLU 276 N -1.18 0.47 -0.00 0.00 2.13 -1.20 -3.34 120.64 117.53 1og6 n GLU 276 Ca 0.08 0.03 0.03 0.00 0.66 0.00 0.00 57.16 57.97 1og6 n GLU 276 Cb 0.09 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.25 1og6 n GLU 276 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1og6 n THR 277 N -1.22 0.00 -2.11 6.31 -2.24 -1.08 -5.00 114.28 108.94 1og6 n THR 277 Ca 0.14 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1og6 n THR 277 Cb 0.18 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 1og6 n THR 277 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1og6 s LEU 278 N -3.20 4.41 -0.68 3.22 1.43 -1.21 -4.98 118.68 117.67 1og6 s LEU 278 Ca -0.01 2.59 -0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1og6 s LEU 278 Cb 0.04 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.81 1og6 s LEU 278 CO 0.26 -0.58 0.52 -0.54 0.23 0.00 0.00 176.35 176.23 1og6 s LYS 279 N -0.79 2.76 0.21 1.70 1.02 -1.26 -5.02 119.74 118.36 1og6 s LYS 279 Ca 0.55 -2.65 -0.30 0.00 0.02 0.00 0.00 55.97 53.59 1og6 s LYS 279 Cb -0.39 -3.82 -0.08 0.00 -0.52 0.00 0.00 37.83 33.01 1og6 s LYS 279 CO 0.45 -1.20 1.19 1.41 -0.92 0.00 0.00 175.35 176.28 1og6 s MET 280 N -0.26 4.51 0.08 1.68 -2.45 -1.26 -5.04 119.30 116.56 1og6 s MET 280 Ca 0.19 1.89 -0.02 0.00 -1.25 0.00 0.00 55.69 56.49 1og6 s MET 280 Cb -0.18 -3.22 -0.05 0.00 1.25 0.00 0.00 34.83 32.64 1og6 s MET 280 CO -0.05 -0.04 0.28 0.95 1.05 0.00 0.00 175.02 177.20 1og6 s THR 281 N -0.31 5.30 0.18 10.11 -4.23 -1.26 -4.95 115.64 120.48 1og6 s THR 281 Ca 0.51 -0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1og6 s THR 281 Cb -0.33 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 69.91 1og6 s THR 281 CO 0.38 0.13 1.53 0.54 -0.54 0.00 0.00 174.62 176.66 1og6 n ARG 282 N 0.32 -0.38 -0.30 3.99 1.74 -1.26 0.17 116.66 120.94 1og6 n ARG 282 Ca -0.05 1.50 0.19 0.00 -0.77 0.00 0.00 57.85 58.73 1og6 n ARG 282 Cb 0.51 -2.22 0.47 0.00 -1.02 0.00 0.00 32.46 30.21 1og6 n ARG 282 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1og6 h GLN 283 N 0.00 0.46 -0.11 5.56 4.15 -1.98 0.74 115.11 123.93 1og6 h GLN 283 Ca 0.21 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.43 1og6 h GLN 283 Cb 0.46 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1og6 h GLN 283 CO -0.95 0.31 -0.65 1.96 -1.93 0.00 0.00 178.83 177.57 1og6 h GLN 284 N 0.48 0.43 -0.45 1.69 4.20 -0.67 -1.89 115.11 118.90 1og6 h GLN 284 Ca 0.55 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1og6 h GLN 284 Cb 1.27 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1og6 h GLN 284 CO -0.27 0.94 0.10 2.35 -0.67 0.00 0.00 178.83 181.27 1og6 h TRP 285 N 0.31 0.76 0.00 2.96 7.01 0.18 -1.75 115.95 125.42 1og6 h TRP 285 Ca -0.02 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.89 1og6 h TRP 285 Cb 1.21 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.06 1og6 h TRP 285 CO 0.04 0.71 0.00 0.74 -2.79 0.00 0.00 178.44 177.14 1og6 h PHE 286 N 0.59 0.00 0.00 2.65 -1.00 -0.37 -1.96 116.94 116.86 1og6 h PHE 286 Ca 0.14 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 1og6 h PHE 286 Cb 0.34 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1og6 h PHE 286 CO 0.02 0.00 -0.73 0.00 -1.61 0.00 0.00 178.31 175.99 1og6 h ARG 287 N 0.00 0.00 0.00 1.51 3.08 -0.86 -2.17 114.38 115.94 1og6 h ARG 287 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1og6 h ARG 287 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1og6 h ARG 287 CO 0.00 0.42 -1.07 0.82 -1.07 0.00 0.00 179.97 179.07 1og6 h ILE 288 N 0.00 1.01 -0.21 2.04 2.04 -1.09 -2.81 117.51 118.48 1og6 h ILE 288 Ca -0.04 -2.58 -0.10 0.00 1.00 0.00 0.00 64.86 63.14 1og6 h ILE 288 Cb 1.41 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1og6 h ILE 288 CO 0.06 0.57 -0.25 -0.09 0.00 0.00 0.00 178.15 178.44 1og6 h ARG 289 N 0.00 0.54 0.03 2.37 2.43 -1.32 -3.00 114.38 115.43 1og6 h ARG 289 Ca -0.09 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1og6 h ARG 289 Cb 1.65 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1og6 h ARG 289 CO 0.08 0.89 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.20 1og6 h LYS 290 N 0.22 -0.04 0.00 0.20 1.63 -1.46 -0.77 116.57 116.35 1og6 h LYS 290 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1og6 h LYS 290 Cb 0.81 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1og6 h LYS 290 CO 0.06 0.09 0.01 0.00 -3.45 0.00 0.00 179.45 176.15 1og6 h ALA 291 N 0.80 1.01 0.08 5.00 0.00 -1.56 0.22 119.26 124.81 1og6 h ALA 291 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1og6 h ALA 291 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1og6 h ALA 291 CO 0.01 -0.01 -2.07 0.00 0.00 0.00 0.00 179.25 177.18 1og6 n ALA 292 N -2.06 1.12 -0.09 0.00 0.00 -0.99 -3.18 120.51 115.32 1og6 n ALA 292 Ca -0.03 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.42 1og6 n ALA 292 Cb 0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 1og6 n ALA 292 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1og6 n LEU 293 N -3.33 2.13 0.00 0.00 4.32 -0.33 -4.99 117.00 114.80 1og6 n LEU 293 Ca -0.32 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1og6 n LEU 293 Cb 1.04 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1og6 n LEU 293 CO 0.40 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 1og6 n GLY 294 N 1.59 0.77 3.39 -0.72 0.00 0.74 -5.08 105.19 105.88 1og6 n GLY 294 Ca -0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1og6 n GLY 294 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1og6 s TYR 295 N -2.00 0.25 0.00 1.61 -0.85 -1.26 -5.06 117.35 110.04 1og6 s TYR 295 Ca 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1og6 s TYR 295 Cb 0.00 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.42 1og6 s TYR 295 CO 0.00 -0.78 0.00 -0.25 -1.52 0.00 0.00 175.55 173.00 1og6 n ASP 296 N -0.25 0.00 -4.37 -0.18 8.00 -1.26 -4.62 116.55 113.87 1og6 n ASP 296 Ca -0.08 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.15 1og6 n ASP 296 Cb 0.63 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.60 1og6 n ASP 296 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1og6 s VAL 297 N 0.00 2.11 0.00 2.53 -7.23 -1.26 -5.05 120.40 111.50 1og6 s VAL 297 Ca 0.00 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1og6 s VAL 297 Cb 0.00 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1og6 s VAL 297 CO 0.00 -0.04 0.00 0.09 -0.31 0.00 0.00 175.10 174.84