#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjg h ASP 3 N 0.00 0.96 -0.08 3.42 3.58 -2.04 -2.58 116.42 119.69 1mjg h ASP 3 Ca 0.00 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1mjg h ASP 3 Cb 0.00 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1mjg h ASP 3 CO 0.00 0.90 -0.03 0.15 -2.88 0.00 0.00 179.24 177.38 1mjg h PHE 4 N 1.00 0.29 0.00 0.28 3.57 -2.03 -2.84 116.94 117.21 1mjg h PHE 4 Ca 0.22 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1mjg h PHE 4 Cb 0.28 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1mjg h PHE 4 CO 0.02 0.33 0.00 -0.25 -2.23 0.00 0.00 178.31 176.18 1mjg n ASP 5 N -4.34 0.00 0.07 0.41 8.00 -0.97 -2.80 116.55 116.91 1mjg n ASP 5 Ca -0.00 0.08 0.02 0.00 0.71 0.00 0.00 54.79 55.61 1mjg n ASP 5 Cb 0.21 -0.19 0.38 0.00 -0.02 0.00 0.00 41.12 41.50 1mjg n ASP 5 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1mjg h LYS 6 N 0.00 0.37 0.00 -1.24 3.64 -1.66 -2.41 116.57 115.28 1mjg h LYS 6 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1mjg h LYS 6 Cb 0.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1mjg h LYS 6 CO 0.00 0.40 0.00 -0.84 -2.27 0.00 0.00 179.45 176.74 1mjg h ILE 7 N 0.36 0.00 -0.01 2.00 3.07 -1.79 -1.89 117.51 119.24 1mjg h ILE 7 Ca 0.08 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.36 1mjg h ILE 7 Cb 0.25 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1mjg h ILE 7 CO 0.01 0.00 -0.49 0.49 -1.05 0.00 0.00 178.15 177.10 1mjg n PHE 8 N -2.77 0.00 -1.89 0.16 3.01 -0.91 -4.93 117.46 110.13 1mjg n PHE 8 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 1mjg n PHE 8 Cb 0.13 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.57 1mjg n PHE 8 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1mjg s GLU 9 N -2.52 4.19 0.00 -1.08 2.02 -0.71 -2.77 118.70 117.82 1mjg s GLU 9 Ca 0.18 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.63 1mjg s GLU 9 Cb 0.18 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1mjg s GLU 9 CO 0.59 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1mjg n GLY 10 N 1.37 1.20 0.37 -1.39 0.00 -1.26 -4.83 105.19 100.65 1mjg n GLY 10 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1mjg n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg h ALA 11 N 0.00 1.51 -2.84 4.61 0.00 -1.86 -3.38 119.26 117.30 1mjg h ALA 11 Ca 0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1mjg h ALA 11 Cb 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 17.79 17.32 1mjg h ALA 11 CO 0.00 0.34 -0.54 0.42 0.00 0.00 0.00 179.25 179.48 1mjg s ILE 12 N -5.91 4.88 0.87 0.00 1.01 -1.26 -4.32 121.20 116.47 1mjg s ILE 12 Ca -0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1mjg s ILE 12 Cb 0.20 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 39.35 1mjg s ILE 12 CO 0.80 0.11 1.16 -2.84 0.00 0.00 0.00 174.94 174.17 1mjg s PRO 13 N 1.67 1.27 0.23 2.79 0.02 -1.26 -4.92 135.00 134.80 1mjg s PRO 13 Ca 0.06 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 1mjg s PRO 13 Cb -0.17 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 1mjg s PRO 13 CO 0.08 -2.45 1.48 -2.00 -0.33 0.00 0.00 177.00 173.78 1mjg s GLU 14 N -4.51 4.24 -0.58 5.54 2.56 -1.26 -2.05 118.70 122.64 1mjg s GLU 14 Ca 0.68 2.34 0.00 0.00 0.00 0.00 0.00 54.97 57.99 1mjg s GLU 14 Cb -0.24 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.77 1mjg s GLU 14 CO 0.56 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 1mjg n GLY 15 N 2.59 0.71 0.90 -1.50 0.00 -1.26 -4.86 105.19 101.77 1mjg n GLY 15 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1mjg n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjg n LYS 16 N -1.59 2.26 -1.67 1.61 4.76 -0.87 -5.04 118.16 117.62 1mjg n LYS 16 Ca -0.05 -2.96 -0.45 0.00 -2.87 0.00 0.00 58.31 51.97 1mjg n LYS 16 Cb 0.34 -1.79 -0.04 0.00 -1.84 0.00 0.00 35.03 31.70 1mjg n LYS 16 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1mjg n GLU 17 N -0.89 2.53 -2.03 1.97 -0.58 -1.26 -4.79 120.64 115.60 1mjg n GLU 17 Ca 0.26 0.93 -0.42 0.00 -0.42 0.00 0.00 57.16 57.51 1mjg n GLU 17 Cb 0.92 -2.84 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1mjg n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1mjg n PRO 18 N 7.13 3.40 -0.32 3.49 -0.04 -1.26 -4.75 135.00 142.65 1mjg n PRO 18 Ca 0.21 -3.10 0.05 0.00 -0.04 0.00 0.00 63.50 60.63 1mjg n PRO 18 Cb 0.35 -3.03 0.24 0.00 -0.04 0.00 0.00 33.50 31.02 1mjg n PRO 18 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1mjg h VAL 19 N 3.72 1.02 -0.92 0.52 -1.51 -1.90 -1.28 116.25 115.89 1mjg h VAL 19 Ca 0.51 -0.35 0.05 0.00 -1.23 0.00 0.00 66.70 65.68 1mjg h VAL 19 Cb 0.59 -0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.61 1mjg h VAL 19 CO 1.73 0.18 0.60 0.00 -1.23 0.00 0.00 177.57 178.85 1mjg h ALA 20 N 1.52 1.45 -0.34 5.19 0.00 -1.86 0.40 119.26 125.62 1mjg h ALA 20 Ca 0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1mjg h ALA 20 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mjg h ALA 20 CO -0.18 0.44 -0.03 1.25 0.00 0.00 0.00 179.25 180.73 1mjg h LEU 21 N 1.11 0.61 -1.01 0.00 6.46 -1.16 -1.80 115.31 119.51 1mjg h LEU 21 Ca 0.38 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1mjg h LEU 21 Cb 0.10 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1mjg h LEU 21 CO -0.13 0.79 0.35 -0.26 -0.62 0.00 0.00 178.44 178.57 1mjg h PHE 22 N 0.41 1.04 -0.46 1.25 0.04 -0.63 -1.65 116.94 116.95 1mjg h PHE 22 Ca 0.09 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1mjg h PHE 22 Cb 0.50 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1mjg h PHE 22 CO 0.04 0.76 0.18 -0.09 -0.60 0.00 0.00 178.31 178.60 1mjg h ARG 23 N 1.04 0.68 -0.56 1.51 2.43 -0.01 -0.49 114.38 118.99 1mjg h ARG 23 Ca 0.25 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1mjg h ARG 23 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1mjg h ARG 23 CO -0.03 0.63 0.35 1.49 -1.51 0.00 0.00 179.97 180.90 1mjg h GLU 24 N 0.59 0.75 -0.41 0.20 4.81 -0.92 0.77 114.58 120.37 1mjg h GLU 24 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1mjg h GLU 24 Cb 0.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1mjg h GLU 24 CO -0.01 0.53 0.27 0.28 -0.73 0.00 0.00 179.01 179.34 1mjg h VAL 25 N 0.75 1.12 -0.40 0.32 2.07 -1.02 0.78 116.25 119.87 1mjg h VAL 25 Ca 0.20 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1mjg h VAL 25 Cb -0.04 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1mjg h VAL 25 CO -0.04 0.11 0.20 0.22 0.02 0.00 0.00 177.57 178.08 1mjg h TYR 26 N 0.56 0.37 -0.58 1.57 -0.00 -0.60 0.20 116.97 118.48 1mjg h TYR 26 Ca 0.15 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.86 1mjg h TYR 26 Cb -0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 36.55 1mjg h TYR 26 CO -0.04 0.19 0.22 0.45 -0.00 0.00 0.00 178.16 178.98 1mjg h HIS 27 N 0.40 0.89 -0.09 -3.82 3.86 -0.46 -1.55 115.15 114.40 1mjg h HIS 27 Ca 0.17 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 1mjg h HIS 27 Cb 0.08 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1mjg h HIS 27 CO -0.10 0.73 -0.40 0.78 0.86 0.00 0.00 177.93 179.79 1mjg h GLY 28 N 0.80 0.20 1.23 2.45 0.00 -0.38 -1.80 103.07 105.58 1mjg h GLY 28 Ca 0.19 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1mjg h GLY 28 CO -0.01 0.17 -0.67 0.00 0.00 0.00 0.00 176.54 176.03 1mjg h ALA 29 N 1.43 0.42 -0.03 3.60 0.00 -0.34 -0.84 119.26 123.50 1mjg h ALA 29 Ca 0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1mjg h ALA 29 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mjg h ALA 29 CO 0.06 0.69 0.01 0.82 0.00 0.00 0.00 179.25 180.83 1mjg h ILE 30 N 0.57 1.12 -0.21 0.00 2.04 -1.17 -0.61 117.51 119.24 1mjg h ILE 30 Ca -0.02 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1mjg h ILE 30 Cb 1.28 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1mjg h ILE 30 CO 0.14 0.09 -0.06 0.74 0.00 0.00 0.00 178.15 179.07 1mjg h THR 31 N -0.09 0.78 -0.11 -0.27 2.02 -1.27 0.34 112.91 114.31 1mjg h THR 31 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1mjg h THR 31 Cb 0.14 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1mjg h THR 31 CO -0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 1mjg h ALA 32 N 1.20 0.14 -0.53 6.16 0.00 -1.06 -0.75 119.26 124.42 1mjg h ALA 32 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1mjg h ALA 32 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mjg h ALA 32 CO -0.22 -0.28 -0.15 1.79 0.00 0.00 0.00 179.25 180.39 1mjg h THR 33 N 0.02 1.27 -0.56 0.00 1.35 -0.97 -0.75 112.91 113.27 1mjg h THR 33 Ca 0.04 -1.31 -0.11 0.00 -0.55 0.00 0.00 66.41 64.48 1mjg h THR 33 Cb 0.16 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 1mjg h THR 33 CO -0.00 0.46 -0.06 0.28 -0.25 0.00 0.00 175.52 175.95 1mjg h SER 34 N 0.90 1.03 -0.33 5.36 0.02 -0.91 -1.14 113.55 118.49 1mjg h SER 34 Ca 0.13 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1mjg h SER 34 Cb 0.72 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1mjg h SER 34 CO 0.06 1.12 0.15 0.22 -1.14 0.00 0.00 176.83 177.24 1mjg h TYR 35 N 0.93 0.48 -0.86 3.45 3.20 -0.99 -1.65 116.97 121.52 1mjg h TYR 35 Ca 0.15 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1mjg h TYR 35 Cb 0.63 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1mjg h TYR 35 CO 0.04 0.43 0.55 0.00 -1.64 0.00 0.00 178.16 177.54 1mjg h ALA 36 N 1.00 1.35 -0.53 1.82 0.00 -0.94 -2.18 119.26 119.79 1mjg h ALA 36 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 36 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mjg h ALA 36 CO -0.01 0.58 0.21 1.49 0.00 0.00 0.00 179.25 181.52 1mjg h GLU 37 N 1.17 0.79 -0.38 0.00 4.22 -0.68 0.82 114.58 120.51 1mjg h GLU 37 Ca 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1mjg h GLU 37 Cb -0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1mjg h GLU 37 CO -0.06 0.69 0.21 0.82 -2.18 0.00 0.00 179.01 178.49 1mjg h ILE 38 N 0.71 1.15 -0.43 2.32 2.04 -0.93 -1.62 117.51 120.76 1mjg h ILE 38 Ca 0.18 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1mjg h ILE 38 Cb 0.20 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1mjg h ILE 38 CO -0.01 0.16 -0.31 -0.07 0.00 0.00 0.00 178.15 177.92 1mjg h LEU 39 N 0.49 1.01 0.28 1.44 3.38 -1.26 -2.40 115.31 118.26 1mjg h LEU 39 Ca 0.13 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1mjg h LEU 39 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1mjg h LEU 39 CO -0.02 1.23 -0.14 0.25 0.09 0.00 0.00 178.44 179.85 1mjg h LEU 40 N 0.80 -0.32 -1.38 1.67 5.85 -0.70 -0.71 115.31 120.52 1mjg h LEU 40 Ca 0.08 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1mjg h LEU 40 Cb 0.90 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1mjg h LEU 40 CO 0.08 -0.14 -0.23 0.78 -0.34 0.00 0.00 178.44 178.59 1mjg h ASN 41 N -0.49 0.00 -0.17 1.25 2.35 -1.36 -0.79 115.58 116.38 1mjg h ASN 41 Ca -0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 1mjg h ASN 41 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1mjg h ASN 41 CO 0.06 0.23 -0.40 -0.61 -1.65 0.00 0.00 177.43 175.06 1mjg h GLN 42 N 0.00 0.56 -0.95 0.81 5.75 -1.29 -1.48 115.11 118.51 1mjg h GLN 42 Ca -0.00 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.12 1mjg h GLN 42 Cb 0.62 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.18 1mjg h GLN 42 CO 0.03 1.00 0.62 0.00 -2.65 0.00 0.00 178.83 177.83 1mjg h ALA 43 N 0.56 1.29 -0.55 3.38 0.00 -0.58 -0.88 119.26 122.48 1mjg h ALA 43 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1mjg h ALA 43 Cb 1.01 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1mjg h ALA 43 CO 0.09 0.64 -0.07 0.82 0.00 0.00 0.00 179.25 180.73 1mjg h ILE 44 N 1.30 1.26 -0.06 0.00 2.04 -1.06 0.11 117.51 121.10 1mjg h ILE 44 Ca 0.35 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 1mjg h ILE 44 Cb -0.12 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1mjg h ILE 44 CO -0.07 0.43 -0.28 0.03 0.00 0.00 0.00 178.15 178.25 1mjg h ARG 45 N 0.90 0.10 0.15 2.37 3.08 -0.59 0.29 114.38 120.68 1mjg h ARG 45 Ca 0.15 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.93 1mjg h ARG 45 Cb 0.62 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.67 1mjg h ARG 45 CO 0.04 0.38 -1.10 1.15 -1.07 0.00 0.00 179.97 179.37 1mjg h THR 46 N 0.09 1.33 0.00 2.04 2.02 -0.78 -3.40 112.91 114.21 1mjg h THR 46 Ca 0.01 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1mjg h THR 46 Cb 0.55 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1mjg h THR 46 CO 0.04 0.73 -0.51 -1.22 0.37 0.00 0.00 175.52 174.93 1mjg n TYR 47 N -4.00 0.00 0.00 3.16 4.01 0.35 -5.10 117.16 115.58 1mjg n TYR 47 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1mjg n TYR 47 Cb 0.89 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1mjg n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mjg n GLY 48 N 1.26 -0.88 0.25 2.72 0.00 0.10 -4.24 105.19 104.40 1mjg n GLY 48 Ca 0.02 -1.50 0.17 0.00 0.00 0.00 0.00 46.02 44.71 1mjg n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mjg h PRO 49 N 0.00 0.00 -0.01 1.61 0.13 -1.93 -2.75 132.00 129.04 1mjg h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mjg h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mjg h PRO 49 CO 0.00 0.00 -0.18 -0.25 -0.23 0.00 0.00 178.00 177.34 1mjg n ASP 50 N -2.77 1.52 -4.74 1.44 8.00 -1.26 0.09 116.55 118.83 1mjg n ASP 50 Ca -0.01 -1.29 -0.42 0.00 0.71 0.00 0.00 54.79 53.79 1mjg n ASP 50 Cb 0.16 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1mjg n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1mjg s HIS 51 N -2.28 3.08 0.79 1.24 2.46 -1.04 -4.79 115.29 114.75 1mjg s HIS 51 Ca 0.28 0.98 -0.13 0.00 0.47 0.00 0.00 55.06 56.66 1mjg s HIS 51 Cb 0.20 -3.80 0.08 0.00 -0.13 0.00 0.00 32.58 28.93 1mjg s HIS 51 CO 0.44 -2.67 1.18 -2.14 -2.47 0.00 0.00 174.74 169.09 1mjg s PRO 52 N 0.04 1.76 -0.18 2.88 0.02 -1.26 -1.04 135.00 137.22 1mjg s PRO 52 Ca 0.61 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 63.15 1mjg s PRO 52 Cb -0.41 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.36 1mjg s PRO 52 CO 0.39 -2.10 0.47 0.54 -0.33 0.00 0.00 177.00 175.97 1mjg s VAL 53 N -2.24 -0.00 -3.87 3.83 0.11 -0.41 -4.61 120.40 113.20 1mjg s VAL 53 Ca 0.71 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1mjg s VAL 53 Cb -0.27 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1mjg s VAL 53 CO 0.50 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1mjg n GLY 54 N 3.04 -2.02 3.64 6.54 0.00 -1.26 -4.39 105.19 110.73 1mjg n GLY 54 Ca -0.15 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1mjg n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mjg s TYR 55 N -2.44 2.72 0.51 1.61 4.12 -1.26 -4.82 117.35 117.79 1mjg s TYR 55 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 57.07 56.77 1mjg s TYR 55 Cb 0.00 -1.25 -0.06 0.00 -1.52 0.00 0.00 41.96 39.14 1mjg s TYR 55 CO 0.00 0.58 0.90 -1.25 0.02 0.00 0.00 175.55 175.81 1mjg s PRO 56 N -3.42 3.73 -1.28 -1.71 0.04 -1.26 -4.40 135.00 126.70 1mjg s PRO 56 Ca 0.30 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.90 1mjg s PRO 56 Cb -0.07 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1mjg s PRO 56 CO 0.19 -0.28 0.63 -0.25 0.04 0.00 0.00 177.00 177.33 1mjg n ASP 57 N -1.97 -2.26 -3.71 6.66 8.00 -1.26 -4.68 116.55 117.33 1mjg n ASP 57 Ca 0.04 -0.95 -0.14 0.00 0.71 0.00 0.00 54.79 54.45 1mjg n ASP 57 Cb 0.54 -3.52 -0.08 0.00 -0.02 0.00 0.00 41.12 38.04 1mjg n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1mjg s THR 58 N -3.71 0.04 -1.43 -3.53 -1.32 -1.26 -0.51 115.64 103.93 1mjg s THR 58 Ca 0.16 -0.35 0.14 0.00 -1.21 0.00 0.00 61.69 60.43 1mjg s THR 58 Cb -0.05 -0.70 0.27 0.00 -1.51 0.00 0.00 72.50 70.51 1mjg s THR 58 CO 0.85 -0.19 1.17 0.00 -2.21 0.00 0.00 174.62 174.24 1mjg n ALA 59 N 1.26 2.33 -1.52 11.08 0.00 -1.26 -4.58 120.51 127.82 1mjg n ALA 59 Ca -0.21 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.18 1mjg n ALA 59 Cb 0.56 -0.52 0.16 0.00 0.00 0.00 0.00 19.45 19.65 1mjg n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mjg n TYR 60 N 0.79 1.59 0.00 0.00 4.02 -1.26 -5.04 117.16 117.26 1mjg n TYR 60 Ca 0.12 -1.84 0.00 0.00 -0.01 0.00 0.00 57.90 56.17 1mjg n TYR 60 Cb 0.42 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 1mjg n TYR 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1mjg n TYR 61 N -1.05 0.00 -3.34 -0.72 4.02 -1.26 -1.37 117.16 113.44 1mjg n TYR 61 Ca 0.39 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.81 1mjg n TYR 61 Cb 1.02 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.31 1mjg n TYR 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1mjg s LEU 62 N 0.00 6.47 0.30 7.72 1.43 -1.26 -4.51 118.68 128.83 1mjg s LEU 62 Ca 0.00 -2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 50.78 1mjg s LEU 62 Cb 0.00 -2.20 0.66 0.00 0.03 0.00 0.00 46.19 44.69 1mjg s LEU 62 CO 0.00 -0.69 1.57 -0.65 0.23 0.00 0.00 176.35 176.81 1mjg h PRO 63 N 8.23 0.00 -0.52 1.29 0.11 -1.56 0.04 132.00 139.58 1mjg h PRO 63 Ca -0.07 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.06 1mjg h PRO 63 Cb 1.06 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1mjg h PRO 63 CO 0.87 0.00 0.32 0.28 -0.21 0.00 0.00 178.00 179.26 1mjg h VAL 64 N 0.00 1.07 -0.12 3.15 2.07 -1.87 0.16 116.25 120.71 1mjg h VAL 64 Ca 0.56 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.82 1mjg h VAL 64 Cb 1.08 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1mjg h VAL 64 CO -0.96 0.12 -0.09 0.40 0.02 0.00 0.00 177.57 177.05 1mjg h ILE 65 N 0.64 1.34 -0.97 4.57 2.04 -1.58 -1.78 117.51 121.76 1mjg h ILE 65 Ca 0.20 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1mjg h ILE 65 Cb -0.01 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1mjg h ILE 65 CO -0.08 0.34 0.64 -0.09 0.00 0.00 0.00 178.15 178.96 1mjg h ARG 66 N -0.09 1.23 0.58 2.37 9.65 -0.86 -1.17 114.38 126.09 1mjg h ARG 66 Ca 0.02 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1mjg h ARG 66 Cb 0.58 -0.28 0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1mjg h ARG 66 CO 0.02 0.82 -0.28 0.00 2.80 0.00 0.00 179.97 183.33 1mjg h PHE 68 N -1.17 0.16 0.00 0.00 0.04 -1.33 0.44 116.94 115.08 1mjg h PHE 68 Ca -0.08 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1mjg h PHE 68 Cb 0.62 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1mjg h PHE 68 CO 0.00 0.93 0.00 -1.13 -0.60 0.00 0.00 178.31 177.52 1mjg n SER 69 N -3.58 0.44 0.00 2.17 3.41 -0.56 -4.01 113.62 111.50 1mjg n SER 69 Ca -0.02 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1mjg n SER 69 Cb 0.83 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1mjg n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjg n GLY 70 N 0.39 1.75 3.78 5.00 0.00 -0.55 -4.58 105.19 110.97 1mjg n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1mjg n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mjg s GLU 71 N -0.08 3.80 -1.10 1.61 1.03 -1.26 -4.77 118.70 117.94 1mjg s GLU 71 Ca 0.00 1.56 -0.12 0.00 0.03 0.00 0.00 54.97 56.44 1mjg s GLU 71 Cb 0.00 -2.28 0.22 0.00 -0.80 0.00 0.00 34.13 31.27 1mjg s GLU 71 CO 0.00 -0.47 1.19 -1.21 -1.33 0.00 0.00 175.26 173.44 1mjg s GLU 72 N -2.90 4.04 -0.00 -4.83 2.02 -1.26 -3.98 118.70 111.79 1mjg s GLU 72 Ca 0.65 -2.78 -0.30 0.00 0.02 0.00 0.00 54.97 52.55 1mjg s GLU 72 Cb -0.23 -4.75 -0.06 0.00 0.10 0.00 0.00 34.13 29.19 1mjg s GLU 72 CO 0.27 -1.48 1.51 0.08 0.02 0.00 0.00 175.26 175.66 1mjg s VAL 73 N 0.24 3.55 0.00 2.63 1.01 -1.26 -4.83 120.40 121.74 1mjg s VAL 73 Ca 0.34 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1mjg s VAL 73 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1mjg s VAL 73 CO -0.05 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.31 1mjg n LYS 74 N 5.83 2.49 -4.18 2.72 5.02 -1.26 -4.50 118.16 124.28 1mjg n LYS 74 Ca 0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1mjg n LYS 74 Cb 0.43 -0.82 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 1mjg n LYS 74 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1mjg s LYS 75 N -1.58 0.86 0.30 1.97 -2.85 -1.26 -1.29 119.74 115.88 1mjg s LYS 75 Ca 0.00 -1.30 0.05 0.00 -1.00 0.00 0.00 55.97 53.72 1mjg s LYS 75 Cb 0.00 -0.33 0.72 0.00 -2.06 0.00 0.00 37.83 36.16 1mjg s LYS 75 CO 0.00 0.02 1.76 -0.07 0.10 0.00 0.00 175.35 177.15 1mjg h LEU 76 N 3.11 0.67 -1.02 2.77 3.38 -1.09 -1.02 115.31 122.11 1mjg h LEU 76 Ca -0.36 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1mjg h LEU 76 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1mjg h LEU 76 CO 0.61 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1mjg n GLY 77 N -1.33 -0.86 0.20 0.83 0.00 0.11 -1.95 105.19 102.20 1mjg n GLY 77 Ca 0.23 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.50 1mjg n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mjg h ASP 78 N 0.00 0.00 0.21 1.61 3.45 -1.43 -3.39 116.42 116.87 1mjg h ASP 78 Ca 0.00 -0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.17 1mjg h ASP 78 Cb 0.06 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.86 1mjg h ASP 78 CO 0.00 0.00 -1.25 -0.07 -1.57 0.00 0.00 179.24 176.35 1mjg h LEU 79 N 0.00 0.73 -0.81 1.55 3.38 -1.54 -3.39 115.31 115.23 1mjg h LEU 79 Ca 0.00 -0.93 0.16 0.00 0.09 0.00 0.00 57.88 57.20 1mjg h LEU 79 Cb 0.98 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 1mjg h LEU 79 CO 0.00 1.60 -0.24 -0.65 0.09 0.00 0.00 178.44 179.24 1mjg h PRO 80 N -0.02 -0.02 -0.14 1.13 0.11 -1.76 -0.26 132.00 131.03 1mjg h PRO 80 Ca -0.22 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 1mjg h PRO 80 Cb 1.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.09 1mjg h PRO 80 CO 0.23 -0.01 -0.26 -1.00 -0.21 0.00 0.00 178.00 176.75 1mjg h PRO 81 N -0.02 0.26 -0.18 1.05 0.13 -1.87 -1.11 132.00 130.25 1mjg h PRO 81 Ca 0.37 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.37 1mjg h PRO 81 Cb 0.60 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1mjg h PRO 81 CO -0.84 0.51 -0.04 0.82 -0.23 0.00 0.00 178.00 178.21 1mjg h ILE 82 N 0.23 1.29 -0.67 -3.56 2.04 -1.35 -2.69 117.51 112.80 1mjg h ILE 82 Ca 0.04 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1mjg h ILE 82 Cb 0.59 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1mjg h ILE 82 CO 0.04 0.30 0.14 0.25 0.00 0.00 0.00 178.15 178.88 1mjg h LEU 83 N 0.06 1.04 -1.06 1.44 5.85 -0.97 -2.92 115.31 118.75 1mjg h LEU 83 Ca 0.05 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1mjg h LEU 83 Cb 0.48 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1mjg h LEU 83 CO 0.02 1.02 0.63 0.78 -0.34 0.00 0.00 178.44 180.55 1mjg h ASN 84 N 1.01 1.02 -0.93 1.25 2.35 -1.14 0.26 115.58 119.41 1mjg h ASN 84 Ca 0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1mjg h ASN 84 Cb 0.40 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1mjg h ASN 84 CO 0.01 0.67 0.53 0.03 -1.65 0.00 0.00 177.43 177.02 1mjg h ARG 85 N 1.17 1.27 -0.09 0.81 3.08 -1.29 -0.19 114.38 119.14 1mjg h ARG 85 Ca 0.40 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 60.13 1mjg h ARG 85 Cb 0.11 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1mjg h ARG 85 CO -0.14 0.91 -0.75 0.87 -1.07 0.00 0.00 179.97 179.79 1mjg h LYS 86 N 1.28 0.48 -0.98 0.04 1.79 -1.23 -2.28 116.57 115.67 1mjg h LYS 86 Ca 0.33 -0.39 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1mjg h LYS 86 Cb -0.02 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1mjg h LYS 86 CO -0.06 1.03 0.65 -0.09 -1.08 0.00 0.00 179.45 179.90 1mjg h ARG 87 N 0.32 1.27 0.00 3.15 2.43 0.02 -2.00 114.38 119.56 1mjg h ARG 87 Ca -0.04 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1mjg h ARG 87 Cb 1.34 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1mjg h ARG 87 CO 0.13 0.84 -0.21 0.00 -1.51 0.00 0.00 179.97 179.22 1mjg h ALA 88 N 1.40 0.94 -0.06 2.80 0.00 -0.87 -3.13 119.26 120.35 1mjg h ALA 88 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mjg h ALA 88 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mjg h ALA 88 CO -0.09 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1mjg n GLN 89 N -3.27 1.48 -2.79 0.00 10.64 -0.76 -4.65 117.38 118.03 1mjg n GLN 89 Ca 0.01 -0.70 -0.43 0.00 -1.83 0.00 0.00 57.00 54.05 1mjg n GLN 89 Cb 0.49 -1.43 -0.04 0.00 -0.86 0.00 0.00 30.24 28.40 1mjg n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1mjg s VAL 90 N -1.94 4.26 -0.05 -0.39 1.01 -1.18 -4.59 120.40 117.52 1mjg s VAL 90 Ca 0.37 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 1mjg s VAL 90 Cb 0.19 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1mjg s VAL 90 CO 0.30 -1.30 0.12 -0.55 0.00 0.00 0.00 175.10 173.67 1mjg s SER 91 N 3.15 6.05 0.07 3.32 0.15 -1.26 -4.99 113.70 120.19 1mjg s SER 91 Ca 0.30 0.31 0.26 0.00 0.70 0.00 0.00 55.95 57.52 1mjg s SER 91 Cb -0.13 -1.86 1.03 0.00 -1.71 0.00 0.00 66.02 63.35 1mjg s SER 91 CO 0.17 0.33 1.81 -0.81 1.20 0.00 0.00 173.24 175.94 1mjg n PRO 92 N 1.49 0.08 -2.50 5.44 -0.04 -1.26 -4.58 135.00 133.62 1mjg n PRO 92 Ca -0.15 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 1mjg n PRO 92 Cb 0.54 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1mjg n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mjg s VAL 93 N -3.05 3.96 -0.24 0.52 1.01 -1.26 -4.97 120.40 116.37 1mjg s VAL 93 Ca 0.12 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 1mjg s VAL 93 Cb 0.15 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1mjg s VAL 93 CO 0.50 -1.18 0.86 -0.76 0.00 0.00 0.00 175.10 174.52 1mjg s LEU 94 N 5.28 4.09 0.14 3.92 1.43 -1.26 -4.80 118.68 127.47 1mjg s LEU 94 Ca 0.48 1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 54.44 1mjg s LEU 94 Cb -0.09 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 42.95 1mjg s LEU 94 CO 0.27 -0.53 0.84 0.54 0.23 0.00 0.00 176.35 177.69 1mjg s ASN 95 N 1.31 -0.31 0.17 2.29 2.20 -1.26 -5.03 114.94 114.30 1mjg s ASN 95 Ca 0.37 -0.27 -0.15 0.00 -0.94 0.00 0.00 52.86 51.87 1mjg s ASN 95 Cb -0.15 0.52 0.11 0.00 -2.00 0.00 0.00 41.25 39.73 1mjg s ASN 95 CO 0.07 -0.92 1.73 0.15 -2.94 0.00 0.00 177.10 175.19 1mjg h PHE 96 N 2.00 0.18 -0.18 1.54 -0.00 -1.98 -0.71 116.94 117.79 1mjg h PHE 96 Ca -0.24 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 57.77 1mjg h PHE 96 Cb 1.25 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 37.16 1mjg h PHE 96 CO 0.33 0.05 0.05 1.49 -0.00 0.00 0.00 178.31 180.23 1mjg h GLU 97 N 0.25 0.12 -0.18 1.11 4.81 -1.98 -1.59 114.58 117.13 1mjg h GLU 97 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1mjg h GLU 97 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1mjg h GLU 97 CO -0.23 0.08 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.12 1mjg h ASN 98 N 0.13 0.27 -0.62 1.04 2.35 -1.80 -1.23 115.58 115.72 1mjg h ASN 98 Ca 0.08 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1mjg h ASN 98 Cb 0.07 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1mjg h ASN 98 CO -0.10 0.40 0.06 0.00 -1.65 0.00 0.00 177.43 176.13 1mjg h ALA 99 N 1.64 0.83 -0.53 -0.83 0.00 -0.56 0.26 119.26 120.06 1mjg h ALA 99 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1mjg h ALA 99 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1mjg h ALA 99 CO 0.02 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.80 1mjg h ARG 100 N 0.96 0.97 -0.31 0.00 3.08 -0.73 -0.97 114.38 117.38 1mjg h ARG 100 Ca 0.18 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1mjg h ARG 100 Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1mjg h ARG 100 CO 0.02 1.01 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.76 1mjg h LEU 101 N 0.87 0.50 -0.96 3.04 3.38 -0.89 -0.96 115.31 120.30 1mjg h LEU 101 Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1mjg h LEU 101 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1mjg h LEU 101 CO 0.04 0.64 -0.28 0.00 0.09 0.00 0.00 178.44 178.93 1mjg h ALA 102 N 1.41 1.12 -0.54 1.53 0.00 -0.47 -1.66 119.26 120.66 1mjg h ALA 102 Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1mjg h ALA 102 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mjg h ALA 102 CO 0.03 0.55 0.11 0.78 0.00 0.00 0.00 179.25 180.72 1mjg h GLY 103 N 1.04 0.94 1.00 0.00 0.00 0.05 -0.69 103.07 105.42 1mjg h GLY 103 Ca 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1mjg h GLY 103 CO 0.05 0.57 0.25 -2.09 0.00 0.00 0.00 176.54 175.32 1mjg h GLU 104 N 0.77 0.93 -0.69 4.80 4.81 -0.84 -1.37 114.58 122.99 1mjg h GLU 104 Ca 0.17 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1mjg h GLU 104 Cb 0.38 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1mjg h GLU 104 CO 0.01 0.78 0.35 0.00 -0.73 0.00 0.00 179.01 179.42 1mjg h ALA 105 N 1.10 1.31 -0.45 2.92 0.00 -1.05 -1.29 119.26 121.80 1mjg h ALA 105 Ca 0.21 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1mjg h ALA 105 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1mjg h ALA 105 CO -0.02 0.54 -0.11 1.15 0.00 0.00 0.00 179.25 180.81 1mjg h THR 106 N 0.97 1.26 -0.64 0.00 2.02 -0.53 0.23 112.91 116.22 1mjg h THR 106 Ca 0.24 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 1mjg h THR 106 Cb 0.07 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1mjg h THR 106 CO -0.03 0.41 0.05 -0.50 0.37 0.00 0.00 175.52 175.81 1mjg h TRP 107 N 0.73 1.19 -0.42 3.16 4.06 -0.56 0.10 115.95 124.21 1mjg h TRP 107 Ca 0.12 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 1mjg h TRP 107 Cb 0.60 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1mjg h TRP 107 CO 0.03 1.02 0.10 1.88 -3.56 0.00 0.00 178.44 177.91 1mjg h TYR 108 N 1.02 0.71 -0.23 0.49 0.99 -0.90 -0.35 116.97 118.69 1mjg h TYR 108 Ca 0.19 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 1mjg h TYR 108 Cb 0.51 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.03 1mjg h TYR 108 CO 0.04 0.67 0.14 0.00 -0.00 0.00 0.00 178.16 179.02 1mjg h ALA 109 N 0.95 0.30 -0.48 3.88 0.00 -0.70 -1.51 119.26 121.70 1mjg h ALA 109 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1mjg h ALA 109 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 109 CO 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.09 1mjg h ALA 110 N 1.05 1.16 -0.68 0.00 0.00 -0.85 -0.13 119.26 119.81 1mjg h ALA 110 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1mjg h ALA 110 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1mjg h ALA 110 CO -0.02 0.55 0.16 1.49 0.00 0.00 0.00 179.25 181.43 1mjg h GLU 111 N 0.73 1.09 -0.34 0.00 4.57 -0.77 -1.06 114.58 118.81 1mjg h GLU 111 Ca 0.15 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 1mjg h GLU 111 Cb 0.39 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1mjg h GLU 111 CO 0.01 0.97 -0.17 0.82 -1.18 0.00 0.00 179.01 179.47 1mjg h ILE 112 N 1.04 1.29 -0.75 2.32 2.04 -0.77 -0.52 117.51 122.15 1mjg h ILE 112 Ca 0.21 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1mjg h ILE 112 Cb 0.38 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1mjg h ILE 112 CO 0.00 0.42 0.48 0.40 0.00 0.00 0.00 178.15 179.45 1mjg h ILE 113 N 0.49 1.20 -0.39 -0.67 2.04 -0.80 -0.98 117.51 118.40 1mjg h ILE 113 Ca 0.08 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1mjg h ILE 113 Cb 0.70 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1mjg h ILE 113 CO 0.05 0.20 -0.08 -0.33 0.00 0.00 0.00 178.15 178.00 1mjg h GLU 114 N 1.03 0.75 -0.98 2.37 4.39 -1.07 -1.29 114.58 119.78 1mjg h GLU 114 Ca 0.27 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1mjg h GLU 114 Cb -0.08 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 1mjg h GLU 114 CO -0.06 0.88 0.64 0.00 -1.16 0.00 0.00 179.01 179.31 1mjg h ALA 115 N 0.85 1.40 -0.44 3.43 0.00 -0.70 -0.26 119.26 123.54 1mjg h ALA 115 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1mjg h ALA 115 Cb 0.59 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 115 CO 0.04 0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 179.48 1mjg h LEU 116 N 1.18 0.88 -0.94 0.00 3.38 -0.93 -2.51 115.31 116.37 1mjg h LEU 116 Ca 0.41 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1mjg h LEU 116 Cb 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1mjg h LEU 116 CO -0.15 1.06 0.62 0.03 0.09 0.00 0.00 178.44 180.10 1mjg h ARG 117 N 0.76 1.24 0.00 1.13 3.08 -0.03 -1.28 114.38 119.27 1mjg h ARG 117 Ca 0.10 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1mjg h ARG 117 Cb 0.74 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1mjg h ARG 117 CO 0.06 0.82 0.00 0.66 -1.07 0.00 0.00 179.97 180.44 1mjg n TYR 118 N -4.43 0.00 0.26 3.04 4.01 -0.23 -1.98 117.16 117.83 1mjg n TYR 118 Ca 0.11 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.99 1mjg n TYR 118 Cb 0.01 -0.11 0.70 0.00 -0.31 0.00 0.00 39.34 39.63 1mjg n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1mjg h LEU 119 N 0.00 0.00 -1.87 7.72 3.38 -1.17 -1.67 115.31 121.71 1mjg h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjg h LEU 119 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mjg h LEU 119 CO 0.00 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1mjg n LYS 120 N -3.36 2.24 -2.77 1.13 4.76 -0.84 -4.95 118.16 114.37 1mjg n LYS 120 Ca -0.01 -1.85 -0.38 0.00 -2.87 0.00 0.00 58.31 53.20 1mjg n LYS 120 Cb 0.29 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 1mjg n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1mjg s TYR 121 N -1.72 3.82 0.02 2.13 5.04 -0.63 -4.93 117.35 121.07 1mjg s TYR 121 Ca 0.35 1.84 0.01 0.00 -2.44 0.00 0.00 57.07 56.83 1mjg s TYR 121 Cb 0.21 -2.95 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 1mjg s TYR 121 CO 0.30 0.32 -0.04 0.15 -1.34 0.00 0.00 175.55 174.94 1mjg s LYS 122 N -1.67 0.33 0.48 4.97 1.02 -1.09 -5.00 119.74 118.77 1mjg s LYS 122 Ca 0.46 -0.41 0.23 0.00 0.02 0.00 0.00 55.97 56.26 1mjg s LYS 122 Cb -0.22 -0.16 1.26 0.00 -0.52 0.00 0.00 37.83 38.19 1mjg s LYS 122 CO 0.27 0.03 1.91 -1.00 -0.92 0.00 0.00 175.35 175.64 1mjg h PRO 123 N 5.27 0.20 0.00 -1.68 0.13 -2.01 0.15 132.00 134.06 1mjg h PRO 123 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1mjg h PRO 123 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1mjg h PRO 123 CO 0.45 0.13 -0.71 0.38 -0.23 0.00 0.00 178.00 178.02 1mjg h ASP 124 N 0.20 0.00 -3.05 1.44 3.04 -2.02 -3.42 116.42 112.62 1mjg h ASP 124 Ca 0.38 -0.02 -0.61 0.00 -3.24 0.00 0.00 57.03 53.54 1mjg h ASP 124 Cb 1.20 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.09 1mjg h ASP 124 CO -0.08 0.01 -0.75 -1.61 -2.04 0.00 0.00 179.24 174.77 1mjg s GLU 125 N -3.30 1.56 0.74 4.15 2.02 0.53 -5.12 118.70 119.28 1mjg s GLU 125 Ca 0.02 -2.47 -0.12 0.00 0.02 0.00 0.00 54.97 52.42 1mjg s GLU 125 Cb 0.09 -2.43 0.04 0.00 0.10 0.00 0.00 34.13 31.93 1mjg s GLU 125 CO 0.75 -1.27 1.11 -1.25 0.02 0.00 0.00 175.26 174.63 1mjg s PRO 126 N -0.31 2.34 0.25 0.39 0.04 -1.22 -2.68 135.00 133.81 1mjg s PRO 126 Ca 0.24 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1mjg s PRO 126 Cb -0.10 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.85 1mjg s PRO 126 CO -0.11 -1.60 1.72 -0.07 0.04 0.00 0.00 177.00 176.98 1mjg h LEU 127 N -0.72 0.71 -8.48 -3.56 3.38 -1.91 -3.43 115.31 101.29 1mjg h LEU 127 Ca -0.45 -0.21 -0.49 0.00 0.09 0.00 0.00 57.88 56.82 1mjg h LEU 127 Cb 1.24 -0.19 -0.23 0.00 0.09 0.00 0.00 40.66 41.57 1mjg h LEU 127 CO 0.51 0.85 -0.81 -0.76 0.09 0.00 0.00 178.44 178.32 1mjg s LEU 128 N -9.00 2.23 0.64 1.67 1.43 -1.26 -5.16 118.68 109.23 1mjg s LEU 128 Ca -0.09 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1mjg s LEU 128 Cb 0.14 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.66 1mjg s LEU 128 CO 0.81 0.04 0.94 -2.16 0.23 0.00 0.00 176.35 176.21 1mjg s PRO 129 N -1.49 2.52 0.63 1.29 0.04 -1.26 -4.86 135.00 131.86 1mjg s PRO 129 Ca 0.03 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 1mjg s PRO 129 Cb -0.09 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1mjg s PRO 129 CO 0.02 -0.96 1.28 -2.14 0.04 0.00 0.00 177.00 175.24 1mjg s PRO 130 N -5.08 2.71 0.00 0.56 0.02 -1.26 -1.21 135.00 130.74 1mjg s PRO 130 Ca 0.57 2.01 0.31 0.00 0.02 0.00 0.00 61.00 63.92 1mjg s PRO 130 Cb -0.11 -1.90 1.77 0.00 0.02 0.00 0.00 34.50 34.29 1mjg s PRO 130 CO 0.44 -1.46 2.15 -0.35 -0.33 0.00 0.00 177.00 177.45 1mjg n PRO 131 N -1.76 1.07 -1.70 5.54 -0.04 -1.26 -5.10 135.00 131.76 1mjg n PRO 131 Ca 0.15 -0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 1mjg n PRO 131 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1mjg n PRO 131 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1mjg n TRP 132 N -0.85 1.76 -0.08 0.54 8.01 -0.35 -4.38 117.44 122.09 1mjg n TRP 132 Ca 0.23 0.44 -0.11 0.00 -1.31 0.00 0.00 57.50 56.75 1mjg n TRP 132 Cb 0.15 -2.28 -0.08 0.00 -2.01 0.00 0.00 31.31 27.10 1mjg n TRP 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1mjg n THR 133 N -1.33 0.90 -4.72 -0.99 -2.24 0.61 -4.76 114.28 101.76 1mjg n THR 133 Ca 0.12 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1mjg n THR 133 Cb 0.45 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1mjg n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjg n GLY 134 N 2.70 1.88 3.75 3.38 0.00 -1.13 -4.52 105.19 111.24 1mjg n GLY 134 Ca -0.27 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1mjg n GLY 134 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mjg s PHE 135 N 0.00 2.89 -0.29 1.61 5.36 -1.26 -4.86 117.98 121.43 1mjg s PHE 135 Ca 0.00 0.96 -0.11 0.00 -0.96 0.00 0.00 56.93 56.82 1mjg s PHE 135 Cb 0.00 -3.92 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 1mjg s PHE 135 CO 0.00 -2.99 0.21 0.42 -1.46 0.00 0.00 175.22 171.40 1mjg s ILE 136 N -0.13 5.30 0.79 3.12 1.01 -1.26 -5.04 121.20 124.99 1mjg s ILE 136 Ca 0.60 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 1mjg s ILE 136 Cb -0.44 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1mjg s ILE 136 CO 0.47 0.20 1.12 0.61 0.00 0.00 0.00 174.94 177.34 1mjg n GLY 137 N 5.06 -0.19 0.31 6.18 0.00 -1.26 -4.87 105.19 110.43 1mjg n GLY 137 Ca -0.14 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.47 1mjg n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mjg h ASP 138 N -0.77 0.67 -0.83 1.61 3.45 -1.10 -1.96 116.42 117.49 1mjg h ASP 138 Ca -0.46 0.06 0.19 0.00 0.43 0.00 0.00 57.03 57.25 1mjg h ASP 138 Cb 1.31 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.96 1mjg h ASP 138 CO 0.46 0.35 0.56 -0.65 -1.57 0.00 0.00 179.24 178.39 1mjg h PRO 139 N 0.77 0.32 -0.08 3.56 0.11 -1.89 -0.76 132.00 134.02 1mjg h PRO 139 Ca 0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.45 1mjg h PRO 139 Cb 0.47 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1mjg h PRO 139 CO -0.28 0.21 -0.24 0.28 -0.21 0.00 0.00 178.00 177.76 1mjg h VAL 140 N 0.33 1.41 -0.58 3.15 2.07 -1.71 -0.26 116.25 120.67 1mjg h VAL 140 Ca 0.42 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1mjg h VAL 140 Cb 1.14 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 1mjg h VAL 140 CO -0.13 0.45 0.27 0.58 0.02 0.00 0.00 177.57 178.77 1mjg h VAL 141 N -0.18 0.89 -0.26 2.57 2.07 -1.21 -1.91 116.25 118.23 1mjg h VAL 141 Ca -0.01 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1mjg h VAL 141 Cb 0.85 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mjg h VAL 141 CO 0.05 0.09 -0.43 0.03 0.02 0.00 0.00 177.57 177.33 1mjg h ARG 142 N 0.51 0.64 -0.84 1.57 3.08 -1.19 -2.82 114.38 115.32 1mjg h ARG 142 Ca 0.27 -0.34 0.13 0.00 0.07 0.00 0.00 59.98 60.11 1mjg h ARG 142 Cb 0.24 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 1mjg h ARG 142 CO -0.22 0.95 0.45 -0.09 -1.07 0.00 0.00 179.97 179.99 1mjg h ARG 143 N 0.52 0.66 -0.46 0.04 2.43 -0.23 -1.79 114.38 115.56 1mjg h ARG 143 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mjg h ARG 143 Cb 0.96 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1mjg h ARG 143 CO 0.09 0.44 0.00 1.19 -1.51 0.00 0.00 179.97 180.18 1mjg n PHE 144 N -4.82 0.60 -0.24 2.20 3.72 -1.04 -4.37 117.46 113.51 1mjg n PHE 144 Ca 0.16 -0.30 -0.07 0.00 -0.05 0.00 0.00 57.45 57.19 1mjg n PHE 144 Cb 0.38 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.96 1mjg n PHE 144 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1mjg h GLY 145 N 4.62 1.03 1.86 1.37 0.00 -1.06 -2.43 103.07 108.46 1mjg h GLY 145 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.81 1mjg h GLY 145 CO 0.00 0.50 0.06 1.19 0.00 0.00 0.00 176.54 178.29 1mjg h ILE 146 N 0.91 0.58 0.00 2.60 6.09 -1.76 0.65 117.51 126.58 1mjg h ILE 146 Ca 0.22 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.71 1mjg h ILE 146 Cb 0.16 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1mjg h ILE 146 CO -0.02 0.00 -0.44 0.11 -3.07 0.00 0.00 178.15 174.72 1mjg h LYS 147 N 0.00 0.00 0.22 2.19 1.57 -1.74 -3.34 116.57 115.48 1mjg h LYS 147 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.47 1mjg h LYS 147 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.47 1mjg h LYS 147 CO -0.00 0.00 -1.58 0.52 -0.57 0.00 0.00 179.45 177.82 1mjg h MET 148 N 0.00 0.46 -0.59 3.15 2.86 -0.69 -0.13 114.93 120.00 1mjg h MET 148 Ca 0.00 -0.79 0.12 0.00 -2.06 0.00 0.00 59.70 56.97 1mjg h MET 148 Cb 0.78 0.29 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1mjg h MET 148 CO 0.00 1.38 0.40 -0.39 1.06 0.00 0.00 176.91 179.36 1mjg h VAL 149 N 0.09 0.83 -0.40 -2.22 -1.51 -1.56 -0.89 116.25 110.60 1mjg h VAL 149 Ca -0.30 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1mjg h VAL 149 Cb 2.11 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1mjg h VAL 149 CO 0.22 0.05 0.00 -0.90 -1.23 0.00 0.00 177.57 175.71 1mjg n ASP 150 N -4.45 3.06 -1.51 4.19 3.85 -1.26 -4.83 116.55 115.61 1mjg n ASP 150 Ca 0.10 -1.99 -0.15 0.00 -0.71 0.00 0.00 54.79 52.04 1mjg n ASP 150 Cb 0.47 -0.26 -0.03 0.00 -1.35 0.00 0.00 41.12 39.94 1mjg n ASP 150 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1mjg n TRP 151 N 0.69 -0.43 0.29 2.11 7.02 -0.34 -4.84 117.44 121.94 1mjg n TRP 151 Ca 0.13 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.77 1mjg n TRP 151 Cb 0.45 -2.98 0.85 0.00 -2.42 0.00 0.00 31.31 27.22 1mjg n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1mjg h THR 152 N 0.00 0.36 -3.43 -0.99 1.35 -1.31 -2.87 112.91 106.02 1mjg h THR 152 Ca -0.34 -0.35 -0.71 0.00 -0.55 0.00 0.00 66.41 64.45 1mjg h THR 152 Cb 1.16 1.25 -0.33 0.00 -1.73 0.00 0.00 68.15 68.51 1mjg h THR 152 CO 0.44 0.06 -0.45 -0.63 -0.25 0.00 0.00 175.52 174.70 1mjg s ILE 153 N -4.16 3.75 0.31 6.82 1.01 -0.71 -4.50 121.20 123.71 1mjg s ILE 153 Ca -0.03 -2.09 0.25 0.00 0.00 0.00 0.00 60.65 58.78 1mjg s ILE 153 Cb 0.13 -3.50 0.25 0.00 0.01 0.00 0.00 42.46 39.35 1mjg s ILE 153 CO 0.54 -0.76 1.96 1.55 0.00 0.00 0.00 174.94 178.23 1mjg h PRO 154 N 8.06 0.00 0.00 2.79 0.13 -1.66 -3.43 132.00 137.89 1mjg h PRO 154 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1mjg h PRO 154 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1mjg h PRO 154 CO 0.76 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1mjg n GLY 155 N -0.37 -1.20 3.16 1.56 0.00 -1.26 -4.72 105.19 102.35 1mjg n GLY 155 Ca -0.01 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1mjg n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjg s GLU 156 N -0.00 1.32 -0.22 1.61 8.01 0.01 -1.73 118.70 127.71 1mjg s GLU 156 Ca 0.00 -0.62 -0.00 0.00 0.01 0.00 0.00 54.97 54.35 1mjg s GLU 156 Cb 0.00 -1.29 0.02 0.00 -4.31 0.00 0.00 34.13 28.55 1mjg s GLU 156 CO 0.00 0.35 -0.12 0.00 0.01 0.00 0.00 175.26 175.50 1mjg s ALA 157 N -0.44 2.55 -0.49 5.21 0.00 -0.01 -1.61 121.76 126.98 1mjg s ALA 157 Ca 0.06 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1mjg s ALA 157 Cb -0.07 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.69 1mjg s ALA 157 CO -0.00 -0.59 0.40 0.42 0.00 0.00 0.00 175.76 175.99 1mjg s ILE 158 N 1.32 4.91 -0.32 0.00 1.01 -0.40 -1.54 121.20 126.17 1mjg s ILE 158 Ca 0.02 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.13 1mjg s ILE 158 Cb -0.15 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1mjg s ILE 158 CO -0.08 -0.69 0.48 -0.63 0.00 0.00 0.00 174.94 174.02 1mjg s ILE 159 N 1.55 5.06 -0.10 2.92 1.01 0.11 -0.52 121.20 131.22 1mjg s ILE 159 Ca 0.04 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1mjg s ILE 159 Cb -0.26 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1mjg s ILE 159 CO 0.04 -0.10 -0.17 -0.22 0.00 0.00 0.00 174.94 174.48 1mjg s LEU 160 N 2.30 1.81 0.00 2.97 2.96 -0.32 -0.68 118.68 127.72 1mjg s LEU 160 Ca 0.18 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1mjg s LEU 160 Cb -0.16 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.39 1mjg s LEU 160 CO 0.12 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 1mjg n GLY 161 N 4.03 0.48 2.83 7.98 0.00 -0.82 -0.56 105.19 119.13 1mjg n GLY 161 Ca -0.20 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1mjg n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mjg s ARG 162 N 0.00 0.36 0.67 1.61 3.52 -0.18 -1.00 118.95 123.94 1mjg s ARG 162 Ca 0.00 0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.53 1mjg s ARG 162 Cb 0.00 -0.51 -0.00 0.00 -1.56 0.00 0.00 34.95 32.87 1mjg s ARG 162 CO 0.00 -0.12 1.05 0.00 -0.81 0.00 0.00 175.30 175.42 1mjg s ALA 163 N 0.97 2.74 0.54 6.12 0.00 -1.26 -2.19 121.76 128.69 1mjg s ALA 163 Ca -0.10 0.10 0.30 0.00 0.00 0.00 0.00 51.96 52.26 1mjg s ALA 163 Cb -0.14 -3.17 1.47 0.00 0.00 0.00 0.00 23.12 21.28 1mjg s ALA 163 CO -0.01 -1.10 1.90 1.57 0.00 0.00 0.00 175.76 178.12 1mjg h LYS 164 N -0.51 0.00 -1.50 0.00 2.10 -1.99 -3.43 116.57 111.24 1mjg h LYS 164 Ca -0.44 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.31 1mjg h LYS 164 Cb 1.21 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.30 1mjg h LYS 164 CO 0.57 0.00 0.60 0.16 -2.00 0.00 0.00 179.45 178.79 1mjg s ASP 165 N -5.63 -0.32 0.22 7.07 1.47 -1.26 -5.07 116.67 113.15 1mjg s ASP 165 Ca -0.05 0.34 -0.08 0.00 1.18 0.00 0.00 52.55 53.94 1mjg s ASP 165 Cb 0.20 0.26 0.35 0.00 -0.34 0.00 0.00 42.92 43.40 1mjg s ASP 165 CO 0.73 -0.30 1.71 0.28 0.68 0.00 0.00 175.17 178.27 1mjg h SER 166 N 2.48 0.08 -0.17 2.11 0.02 -1.90 -2.44 113.55 113.73 1mjg h SER 166 Ca -0.17 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1mjg h SER 166 Cb 1.17 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1mjg h SER 166 CO 0.30 0.03 0.05 0.11 -1.14 0.00 0.00 176.83 176.18 1mjg h LYS 167 N 0.31 0.12 -0.66 3.45 1.79 -1.97 0.16 116.57 119.77 1mjg h LYS 167 Ca 0.35 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.87 1mjg h LYS 167 Cb 0.52 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.09 1mjg h LYS 167 CO -0.41 0.08 0.36 0.00 -1.08 0.00 0.00 179.45 178.40 1mjg h ALA 168 N 1.11 0.88 -0.39 3.86 0.00 -1.90 -0.93 119.26 121.88 1mjg h ALA 168 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1mjg h ALA 168 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mjg h ALA 168 CO -0.08 0.04 0.07 1.25 0.00 0.00 0.00 179.25 180.52 1mjg h LEU 169 N 0.67 0.62 -1.34 0.00 5.85 -1.01 -2.55 115.31 117.54 1mjg h LEU 169 Ca 0.29 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mjg h LEU 169 Cb 0.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1mjg h LEU 169 CO -0.18 0.71 0.45 0.00 -0.34 0.00 0.00 178.44 179.08 1mjg h ALA 170 N 0.93 1.55 -0.22 1.25 0.00 -0.42 -0.49 119.26 121.85 1mjg h ALA 170 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 170 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mjg h ALA 170 CO 0.01 0.40 0.07 -0.22 0.00 0.00 0.00 179.25 179.51 1mjg h LYS 171 N 0.89 0.34 -0.60 0.00 3.64 -0.92 -0.13 116.57 119.79 1mjg h LYS 171 Ca 0.26 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1mjg h LYS 171 Cb -0.05 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1mjg h LYS 171 CO -0.06 0.43 0.21 0.82 -2.27 0.00 0.00 179.45 178.58 1mjg h ILE 172 N 0.19 1.24 -0.37 2.00 2.04 -1.02 -2.18 117.51 119.41 1mjg h ILE 172 Ca 0.07 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1mjg h ILE 172 Cb 0.22 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1mjg h ILE 172 CO -0.00 0.30 -0.16 0.58 0.00 0.00 0.00 178.15 178.86 1mjg h VAL 173 N 0.84 1.26 -0.49 1.67 2.07 -0.98 -0.64 116.25 119.97 1mjg h VAL 173 Ca 0.20 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1mjg h VAL 173 Cb 0.25 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1mjg h VAL 173 CO -0.01 0.40 0.32 0.50 0.02 0.00 0.00 177.57 178.80 1mjg h LYS 174 N 0.61 0.64 -0.11 1.57 3.64 -0.76 0.16 116.57 122.32 1mjg h LYS 174 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1mjg h LYS 174 Cb 0.62 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1mjg h LYS 174 CO 0.04 0.43 0.05 1.49 -2.27 0.00 0.00 179.45 179.19 1mjg h GLU 175 N 0.66 0.16 -0.71 1.90 4.81 -1.02 -1.45 114.58 118.93 1mjg h GLU 175 Ca 0.18 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1mjg h GLU 175 Cb -0.08 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1mjg h GLU 175 CO -0.04 0.25 0.47 -0.07 -0.73 0.00 0.00 179.01 178.88 1mjg h LEU 176 N 0.04 0.80 -1.32 1.64 3.38 -0.85 -1.43 115.31 117.57 1mjg h LEU 176 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 176 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1mjg h LEU 176 CO -0.00 0.57 -0.29 0.24 0.09 0.00 0.00 178.44 179.05 1mjg h MET 177 N 0.94 0.00 0.00 1.13 2.86 -0.87 -1.72 114.93 117.28 1mjg h MET 177 Ca 0.26 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1mjg h MET 177 Cb -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1mjg h MET 177 CO -0.07 0.29 -0.31 0.78 1.06 0.00 0.00 176.91 178.66 1mjg h GLY 178 N 1.44 0.00 -1.44 8.32 0.00 -0.20 -2.42 103.07 108.76 1mjg h GLY 178 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mjg h GLY 178 CO 0.04 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.61 1mjg n MET 179 N -3.63 2.09 -0.90 4.80 2.81 -0.77 -4.70 117.12 116.81 1mjg n MET 179 Ca -0.01 -1.61 0.00 0.00 -1.81 0.00 0.00 57.70 54.27 1mjg n MET 179 Cb 0.43 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1mjg n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjg n GLY 180 N 1.30 0.49 3.77 3.03 0.00 -0.91 -4.43 105.19 108.43 1mjg n GLY 180 Ca 0.17 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1mjg n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 181 N -2.00 2.76 -0.04 1.61 0.40 -0.72 -4.14 117.98 115.85 1mjg s PHE 181 Ca 0.00 1.45 -0.21 0.00 -0.60 0.00 0.00 56.93 57.57 1mjg s PHE 181 Cb 0.00 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.89 1mjg s PHE 181 CO 0.00 -2.01 0.61 1.41 0.70 0.00 0.00 175.22 175.94 1mjg s MET 182 N -2.49 4.36 0.07 0.44 -2.45 -0.70 -4.69 119.30 113.83 1mjg s MET 182 Ca 0.61 0.74 0.08 0.00 -1.25 0.00 0.00 55.69 55.88 1mjg s MET 182 Cb -0.35 -3.39 -0.03 0.00 1.25 0.00 0.00 34.83 32.31 1mjg s MET 182 CO 0.44 0.25 -0.20 -0.51 1.05 0.00 0.00 175.02 176.05 1mjg s LEU 183 N 0.21 2.55 -0.11 4.11 1.43 -0.42 -0.83 118.68 125.63 1mjg s LEU 183 Ca 0.32 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1mjg s LEU 183 Cb -0.18 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1mjg s LEU 183 CO 0.17 0.23 -0.06 -0.36 0.23 0.00 0.00 176.35 176.56 1mjg s PHE 184 N -0.97 1.36 -0.06 0.29 0.40 -0.59 -0.38 117.98 118.03 1mjg s PHE 184 Ca 0.15 -0.68 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1mjg s PHE 184 Cb -0.10 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1mjg s PHE 184 CO 0.06 -0.50 -0.22 0.42 0.70 0.00 0.00 175.22 175.69 1mjg s ILE 185 N 1.75 2.35 -0.01 0.64 1.09 -0.02 0.04 121.20 127.04 1mjg s ILE 185 Ca 0.04 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.63 1mjg s ILE 185 Cb -0.13 -1.88 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 1mjg s ILE 185 CO -0.08 0.57 -0.02 0.00 -0.10 0.00 0.00 174.94 175.32 1mjg n ASP 187 N 3.17 -0.08 -0.08 0.00 8.00 0.13 -1.94 116.55 125.74 1mjg n ASP 187 Ca -0.14 0.00 0.25 0.00 0.71 0.00 0.00 54.79 55.61 1mjg n ASP 187 Cb 0.58 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 42.30 1mjg n ASP 187 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1mjg h GLU 188 N 0.00 0.00 -0.52 -1.24 3.07 -1.87 0.19 114.58 114.21 1mjg h GLU 188 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 1mjg h GLU 188 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1mjg h GLU 188 CO 0.00 0.00 0.37 0.00 -1.40 0.00 0.00 179.01 177.98 1mjg h ALA 189 N 1.08 2.28 0.32 3.43 0.00 -1.25 -0.67 119.26 124.46 1mjg h ALA 189 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1mjg h ALA 189 Cb 1.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1mjg h ALA 189 CO -0.00 -0.42 -0.16 0.28 0.00 0.00 0.00 179.25 178.95 1mjg h VAL 190 N 0.15 0.70 -0.27 0.00 2.07 -0.88 -2.01 116.25 116.01 1mjg h VAL 190 Ca 0.25 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1mjg h VAL 190 Cb 0.78 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1mjg h VAL 190 CO -0.04 0.05 -0.05 -0.33 0.02 0.00 0.00 177.57 177.22 1mjg h GLU 191 N -0.56 0.43 -0.43 1.57 3.07 -1.48 -1.54 114.58 115.64 1mjg h GLU 191 Ca -0.04 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1mjg h GLU 191 Cb 0.41 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1mjg h GLU 191 CO 0.07 0.50 0.23 1.96 -1.40 0.00 0.00 179.01 180.38 1mjg h GLN 192 N 0.41 0.60 -0.47 2.33 4.20 -1.02 -0.07 115.11 121.09 1mjg h GLN 192 Ca 0.09 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1mjg h GLN 192 Cb 0.36 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1mjg h GLN 192 CO 0.02 0.48 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.53 1mjg h LEU 193 N 0.56 0.85 -1.07 1.46 3.38 -0.99 -2.59 115.31 116.90 1mjg h LEU 193 Ca 0.15 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1mjg h LEU 193 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1mjg h LEU 193 CO -0.02 0.99 0.02 -0.07 0.09 0.00 0.00 178.44 179.44 1mjg h LEU 194 N 0.70 0.64 -1.29 1.67 3.38 -1.09 -1.59 115.31 117.72 1mjg h LEU 194 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1mjg h LEU 194 Cb 0.58 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1mjg h LEU 194 CO 0.03 0.70 -0.11 -0.08 0.09 0.00 0.00 178.44 179.07 1mjg h GLU 195 N 0.64 0.34 -0.41 1.13 4.81 -0.83 -1.53 114.58 118.74 1mjg h GLU 195 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mjg h GLU 195 Cb 0.38 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1mjg h GLU 195 CO 0.01 0.46 0.00 0.39 -0.73 0.00 0.00 179.01 179.15 1mjg n GLU 196 N -4.25 1.82 -2.88 1.92 -0.58 -0.82 -4.90 120.64 110.95 1mjg n GLU 196 Ca -0.00 -1.03 -0.21 0.00 -0.42 0.00 0.00 57.16 55.50 1mjg n GLU 196 Cb 0.28 -1.34 0.02 0.00 -0.57 0.00 0.00 31.44 29.82 1mjg n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mjg n ASN 197 N 0.29 -5.56 -4.73 1.62 4.13 -0.58 -4.96 115.26 105.47 1mjg n ASN 197 Ca 0.09 -0.20 -0.41 0.00 1.68 0.00 0.00 54.58 55.75 1mjg n ASN 197 Cb 0.32 -4.55 -0.05 0.00 -1.54 0.00 0.00 39.78 33.96 1mjg n ASN 197 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mjg s VAL 198 N -3.07 4.58 -0.11 2.41 1.01 -0.66 -4.99 120.40 119.57 1mjg s VAL 198 Ca 0.23 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.85 1mjg s VAL 198 Cb -0.10 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1mjg s VAL 198 CO 0.28 0.33 1.35 -0.54 0.00 0.00 0.00 175.10 176.52 1mjg s LYS 199 N 0.00 4.24 0.22 2.72 3.01 -1.26 -4.59 119.74 124.08 1mjg s LYS 199 Ca 0.44 1.80 0.07 0.00 -1.01 0.00 0.00 55.97 57.27 1mjg s LYS 199 Cb -0.22 -3.77 -0.05 0.00 -1.01 0.00 0.00 37.83 32.78 1mjg s LYS 199 CO 0.28 -0.69 -0.10 -0.51 0.51 0.00 0.00 175.35 174.83 1mjg s LEU 200 N 3.36 2.50 0.00 3.17 1.43 -1.26 -4.93 118.68 122.95 1mjg s LEU 200 Ca 0.59 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1mjg s LEU 200 Cb -0.25 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1mjg s LEU 200 CO 0.20 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1mjg n GLY 201 N -0.42 2.69 0.28 -3.19 0.00 0.12 -4.81 105.19 99.86 1mjg n GLY 201 Ca -0.07 -1.89 0.02 0.00 0.00 0.00 0.00 46.02 44.07 1mjg n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mjg h ILE 202 N 1.14 0.88 0.00 -0.61 2.04 -1.82 -1.21 117.51 117.94 1mjg h ILE 202 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1mjg h ILE 202 Cb 0.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1mjg h ILE 202 CO 0.00 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.74 1mjg n ASP 203 N -4.81 0.35 -0.77 1.72 8.00 -1.26 -2.24 116.55 117.53 1mjg n ASP 203 Ca 0.12 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.29 1mjg n ASP 203 Cb 0.27 -0.66 0.16 0.00 -0.02 0.00 0.00 41.12 40.86 1mjg n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mjg n TYR 204 N -1.89 0.43 -2.42 1.24 4.01 -0.48 -4.46 117.16 113.59 1mjg n TYR 204 Ca 0.02 -0.35 -0.15 0.00 -0.16 0.00 0.00 57.90 57.26 1mjg n TYR 204 Cb 0.18 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1mjg n TYR 204 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1mjg n ILE 205 N 0.84 -0.71 -3.67 -0.72 5.41 -0.95 -4.59 119.36 114.97 1mjg n ILE 205 Ca 0.13 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.59 1mjg n ILE 205 Cb 0.45 -2.15 -0.14 0.00 -0.71 0.00 0.00 39.64 37.09 1mjg n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mjg s ALA 206 N -2.75 1.47 -0.40 -1.39 0.00 -1.09 -1.30 121.76 116.30 1mjg s ALA 206 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 49.95 1mjg s ALA 206 Cb 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1mjg s ALA 206 CO 0.00 -1.80 0.66 0.71 0.00 0.00 0.00 175.76 175.33 1mjg s TYR 207 N 1.36 3.09 -0.69 0.00 2.02 0.48 0.14 117.35 123.76 1mjg s TYR 207 Ca 0.12 0.14 -0.26 0.00 -0.37 0.00 0.00 57.07 56.71 1mjg s TYR 207 Cb -0.19 -3.29 0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1mjg s TYR 207 CO -0.19 -0.78 1.17 -2.14 -1.57 0.00 0.00 175.55 172.05 1mjg s PRO 208 N 2.82 3.21 0.08 -1.71 0.02 -1.26 -0.84 135.00 137.32 1mjg s PRO 208 Ca 0.24 -0.34 -0.20 0.00 0.02 0.00 0.00 61.00 60.72 1mjg s PRO 208 Cb -0.14 -4.17 -0.10 0.00 0.02 0.00 0.00 34.50 30.12 1mjg s PRO 208 CO 0.18 -1.97 1.53 -0.07 -0.33 0.00 0.00 177.00 176.33 1mjg h LEU 209 N 12.36 0.35 0.00 -5.54 4.07 -1.14 0.17 115.31 125.58 1mjg h LEU 209 Ca -0.28 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1mjg h LEU 209 Cb 1.06 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1mjg h LEU 209 CO 1.23 0.54 0.00 0.61 -1.08 0.00 0.00 178.44 179.75 1mjg n GLY 210 N -0.38 0.55 3.33 0.83 0.00 -1.25 -2.86 105.19 105.41 1mjg n GLY 210 Ca -0.04 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1mjg n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mjg s ASN 211 N -4.00 1.46 0.48 1.61 0.02 -1.26 0.18 114.94 113.44 1mjg s ASN 211 Ca 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 52.86 50.31 1mjg s ASN 211 Cb 0.00 0.35 0.00 0.00 0.02 0.00 0.00 41.25 41.62 1mjg s ASN 211 CO 0.00 -0.86 0.00 0.33 0.02 0.00 0.00 177.10 176.59 1mjg n PHE 212 N -0.56 0.00 0.14 2.20 7.35 -1.26 -0.80 117.46 124.53 1mjg n PHE 212 Ca 0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 1mjg n PHE 212 Cb 0.65 0.00 0.52 0.00 0.35 0.00 0.00 39.48 41.00 1mjg n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1mjg n THR 213 N 0.00 1.15 0.19 -2.13 -2.24 -1.26 -2.04 114.28 107.94 1mjg n THR 213 Ca 0.00 0.71 0.07 0.00 -2.27 0.00 0.00 64.05 62.57 1mjg n THR 213 Cb 0.00 -1.71 0.36 0.00 -2.10 0.00 0.00 70.33 66.88 1mjg n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg n GLN 214 N -2.17 0.09 0.19 -0.78 3.00 0.02 -1.85 117.38 115.88 1mjg n GLN 214 Ca -0.01 0.52 0.16 0.00 -0.01 0.00 0.00 57.00 57.65 1mjg n GLN 214 Cb 0.03 -1.75 0.77 0.00 0.00 0.00 0.00 30.24 29.29 1mjg n GLN 214 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1mjg h ILE 215 N 0.00 0.64 0.00 5.09 6.09 -1.59 -1.08 117.51 126.66 1mjg h ILE 215 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1mjg h ILE 215 Cb 0.08 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1mjg h ILE 215 CO 0.00 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 175.60 1mjg n VAL 216 N -4.07 0.92 1.19 2.19 0.31 -0.77 -2.02 118.33 116.07 1mjg n VAL 216 Ca 0.02 0.41 0.11 0.00 -0.01 0.00 0.00 64.34 64.87 1mjg n VAL 216 Cb 0.30 -1.37 0.60 0.00 -0.91 0.00 0.00 33.84 32.47 1mjg n VAL 216 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1mjg n HIS 217 N -2.23 0.00 0.00 3.52 8.25 -0.41 -0.67 115.22 123.69 1mjg n HIS 217 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1mjg n HIS 217 Cb 0.16 -0.18 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1mjg n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjg n ALA 218 N -1.18 0.88 0.16 -1.41 0.00 -0.86 -3.58 120.51 114.53 1mjg n ALA 218 Ca 0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1mjg n ALA 218 Cb 0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 1mjg n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mjg h ALA 219 N 0.07 -0.41 0.00 0.00 0.00 -1.33 -1.30 119.26 116.29 1mjg h ALA 219 Ca -0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1mjg h ALA 219 Cb 2.03 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1mjg h ALA 219 CO 0.09 -0.61 0.00 -2.95 0.00 0.00 0.00 179.25 175.77 1mjg h ASN 220 N -0.63 0.00 0.03 0.00 7.08 -1.09 -1.04 115.58 119.93 1mjg h ASN 220 Ca -0.04 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.18 1mjg h ASN 220 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.69 1mjg h ASN 220 CO 0.07 0.00 -0.01 0.22 -2.08 0.00 0.00 177.43 175.62 1mjg h TYR 221 N 0.00 -0.04 0.04 4.14 5.03 -1.56 -3.09 116.97 121.48 1mjg h TYR 221 Ca 0.00 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1mjg h TYR 221 Cb 0.28 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1mjg h TYR 221 CO 0.00 0.64 -0.11 0.00 -1.32 0.00 0.00 178.16 177.37 1mjg h ALA 222 N -0.14 -0.15 -0.03 1.82 0.00 -0.83 -2.64 119.26 117.28 1mjg h ALA 222 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 222 Cb 0.70 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1mjg h ALA 222 CO 0.01 -0.61 0.03 -0.07 0.00 0.00 0.00 179.25 178.60 1mjg h LEU 223 N -0.21 0.00 -1.02 0.00 3.38 -1.34 -1.33 115.31 114.80 1mjg h LEU 223 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1mjg h LEU 223 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1mjg h LEU 223 CO -0.08 0.00 -0.47 0.03 0.09 0.00 0.00 178.44 178.01 1mjg h ARG 224 N 0.00 0.00 -0.69 1.13 3.08 -1.38 -3.11 114.38 113.41 1mjg h ARG 224 Ca 0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.13 1mjg h ARG 224 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1mjg h ARG 224 CO -0.00 0.47 0.38 0.00 -1.07 0.00 0.00 179.97 179.74 1mjg h ALA 225 N 1.53 0.94 -0.33 0.04 0.00 -1.26 0.23 119.26 120.42 1mjg h ALA 225 Ca -0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 225 Cb 0.87 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1mjg h ALA 225 CO 0.06 0.03 -0.17 0.78 0.00 0.00 0.00 179.25 179.95 1mjg h GLY 226 N 0.68 0.64 2.00 0.00 0.00 -1.67 -1.86 103.07 102.87 1mjg h GLY 226 Ca 0.32 -0.49 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 1mjg h GLY 226 CO -0.21 0.45 -0.98 -0.33 0.00 0.00 0.00 176.54 175.47 1mjg h MET 227 N 0.54 0.00 0.00 4.80 2.07 -1.42 -0.73 114.93 120.19 1mjg h MET 227 Ca 0.09 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1mjg h MET 227 Cb 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 1mjg h MET 227 CO 0.04 0.98 0.00 -1.33 1.07 0.00 0.00 176.91 177.67 1mjg n MET 228 N -3.38 0.00 -0.07 1.72 2.81 0.75 -3.62 117.12 115.32 1mjg n MET 228 Ca -0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1mjg n MET 228 Cb 0.92 -0.17 -0.02 0.00 -0.71 0.00 0.00 33.22 33.25 1mjg n MET 228 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1mjg h PHE 229 N 0.00 0.25 0.00 2.03 0.04 -1.55 -2.81 116.94 114.90 1mjg h PHE 229 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1mjg h PHE 229 Cb 0.00 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1mjg h PHE 229 CO 0.00 0.14 0.00 0.78 -0.60 0.00 0.00 178.31 178.63 1mjg h GLY 230 N 0.28 0.00 -0.92 -1.45 0.00 -1.09 -3.34 103.07 96.55 1mjg h GLY 230 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.04 1mjg h GLY 230 CO -0.07 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 176.72 1mjg n GLY 231 N -0.04 1.87 3.72 4.60 0.00 -0.76 -4.82 105.19 109.76 1mjg n GLY 231 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1mjg n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 232 N -2.71 3.46 0.12 1.61 1.01 -0.35 -4.94 120.40 118.61 1mjg s VAL 232 Ca 0.00 1.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 1mjg s VAL 232 Cb 0.00 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1mjg s VAL 232 CO 0.00 0.10 1.76 0.41 0.00 0.00 0.00 175.10 177.37 1mjg n THR 233 N 3.69 0.24 -1.71 3.92 -1.04 -1.26 -4.42 114.28 113.70 1mjg n THR 233 Ca 0.10 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 1mjg n THR 233 Cb 0.43 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 1mjg n THR 233 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1mjg n PRO 234 N 4.93 2.63 0.00 -2.82 -0.02 -1.26 -1.65 135.00 136.81 1mjg n PRO 234 Ca 0.18 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 1mjg n PRO 234 Cb 0.34 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1mjg n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 235 N 3.85 3.00 2.97 -1.23 0.00 0.14 -4.42 105.19 109.50 1mjg n GLY 235 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1mjg n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 236 N -2.00 4.98 -0.33 4.61 0.00 -0.66 -4.56 120.51 122.56 1mjg n ALA 236 Ca 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 53.44 49.55 1mjg n ALA 236 Cb 0.00 -3.55 0.05 0.00 0.00 0.00 0.00 19.45 15.94 1mjg n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mjg h ARG 237 N 6.44 -0.04 0.03 0.00 2.43 -1.80 -1.41 114.38 120.05 1mjg h ARG 237 Ca 0.53 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.73 1mjg h ARG 237 Cb 0.70 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1mjg h ARG 237 CO 1.77 -0.02 -0.14 0.93 -1.51 0.00 0.00 179.97 180.99 1mjg h GLU 238 N -0.04 -0.25 -0.77 0.20 4.39 -1.92 -1.69 114.58 114.50 1mjg h GLU 238 Ca 0.34 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1mjg h GLU 238 Cb 0.60 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1mjg h GLU 238 CO -0.91 -0.17 0.51 0.93 -1.16 0.00 0.00 179.01 178.21 1mjg h GLU 239 N -0.26 0.99 -0.17 2.33 5.08 -1.79 -0.97 114.58 119.79 1mjg h GLU 239 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1mjg h GLU 239 Cb 0.30 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mjg h GLU 239 CO -0.12 0.66 0.08 1.96 -1.00 0.00 0.00 179.01 180.59 1mjg h GLN 240 N 1.02 0.25 -0.72 2.33 1.08 -1.06 -0.35 115.11 117.67 1mjg h GLN 240 Ca 0.29 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1mjg h GLN 240 Cb -0.09 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1mjg h GLN 240 CO -0.07 0.30 0.36 0.00 -0.95 0.00 0.00 178.83 178.46 1mjg h ARG 241 N 0.15 1.02 -0.76 1.46 3.08 -1.10 -0.70 114.38 117.52 1mjg h ARG 241 Ca 0.06 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1mjg h ARG 241 Cb 0.13 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1mjg h ARG 241 CO -0.01 0.78 0.42 0.22 -1.07 0.00 0.00 179.97 180.32 1mjg h ASP 242 N 0.99 0.95 -0.71 7.04 3.58 -0.99 -0.52 116.42 126.77 1mjg h ASP 242 Ca 0.25 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1mjg h ASP 242 Cb 0.09 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1mjg h ASP 242 CO -0.03 0.77 0.26 0.22 -2.88 0.00 0.00 179.24 177.58 1mjg h TYR 243 N 1.06 1.10 0.31 0.28 5.03 -0.48 -1.97 116.97 122.30 1mjg h TYR 243 Ca 0.27 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1mjg h TYR 243 Cb 0.03 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 37.99 1mjg h TYR 243 CO -0.00 0.86 -0.15 1.96 -1.32 0.00 0.00 178.16 179.51 1mjg h GLN 244 N 1.02 -0.41 -0.93 1.82 1.08 -0.63 0.04 115.11 117.09 1mjg h GLN 244 Ca 0.23 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.59 1mjg h GLN 244 Cb 0.24 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.69 1mjg h GLN 244 CO -0.02 -0.22 0.60 -0.09 -0.95 0.00 0.00 178.83 178.15 1mjg h ARG 245 N -0.50 0.82 0.10 1.46 9.65 -0.97 -0.29 114.38 124.66 1mjg h ARG 245 Ca -0.04 -0.05 -0.30 0.00 -1.10 0.00 0.00 59.98 58.49 1mjg h ARG 245 Cb 0.37 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1mjg h ARG 245 CO 0.07 0.55 -1.54 0.00 2.80 0.00 0.00 179.97 181.84 1mjg h ARG 246 N 0.85 0.21 0.00 0.20 3.08 -1.21 -3.42 114.38 114.09 1mjg h ARG 246 Ca 0.46 -0.36 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1mjg h ARG 246 Cb 0.57 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1mjg h ARG 246 CO -0.22 1.05 -1.77 0.54 -1.07 0.00 0.00 179.97 178.50 1mjg n ARG 247 N -3.41 2.06 -3.19 0.04 3.00 -0.01 -4.82 116.66 110.33 1mjg n ARG 247 Ca -0.16 -0.01 -0.45 0.00 -0.01 0.00 0.00 57.85 57.21 1mjg n ARG 247 Cb 1.04 -1.29 -0.01 0.00 0.00 0.00 0.00 32.46 32.19 1mjg n ARG 247 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1mjg s ILE 248 N -2.30 5.43 -1.25 0.55 -1.09 -0.13 -4.94 121.20 117.48 1mjg s ILE 248 Ca -0.06 -2.54 -0.17 0.00 -2.23 0.00 0.00 60.65 55.66 1mjg s ILE 248 Cb 0.04 -4.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.26 1mjg s ILE 248 CO 0.47 -1.26 2.09 0.54 -1.23 0.00 0.00 174.94 175.55 1mjg n ARG 249 N 4.47 2.47 -4.16 2.79 1.74 -1.26 -4.68 116.66 118.04 1mjg n ARG 249 Ca 0.22 -2.46 -0.26 0.00 -0.77 0.00 0.00 57.85 54.58 1mjg n ARG 249 Cb 0.45 -3.23 -0.07 0.00 -1.02 0.00 0.00 32.46 28.60 1mjg n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mjg s ALA 250 N 4.07 3.36 0.07 7.54 0.00 -1.26 -0.81 121.76 134.73 1mjg s ALA 250 Ca 0.51 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1mjg s ALA 250 Cb 0.13 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1mjg s ALA 250 CO -0.01 0.47 0.15 -0.59 0.00 0.00 0.00 175.76 175.78 1mjg s PHE 251 N -1.78 0.20 -0.16 0.00 -0.12 -0.64 -4.23 117.98 111.25 1mjg s PHE 251 Ca 0.29 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.54 1mjg s PHE 251 Cb -0.09 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 1mjg s PHE 251 CO 0.21 -0.49 -0.07 0.08 -0.05 0.00 0.00 175.22 174.90 1mjg s VAL 252 N -3.60 3.50 -0.51 -2.49 1.01 -0.27 -1.28 120.40 116.76 1mjg s VAL 252 Ca 0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1mjg s VAL 252 Cb 0.04 -2.53 0.12 0.00 0.00 0.00 0.00 36.38 34.02 1mjg s VAL 252 CO -0.09 0.49 0.45 -0.76 0.00 0.00 0.00 175.10 175.18 1mjg s LEU 253 N 0.60 6.00 -0.62 3.92 1.43 0.32 -0.31 118.68 130.02 1mjg s LEU 253 Ca -0.04 -1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 51.06 1mjg s LEU 253 Cb -0.15 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1mjg s LEU 253 CO 0.03 -0.80 0.85 -0.47 0.23 0.00 0.00 176.35 176.19 1mjg s TYR 254 N 1.54 2.82 -0.10 0.29 6.14 0.08 -1.17 117.35 126.95 1mjg s TYR 254 Ca 0.04 -0.71 -0.03 0.00 0.64 0.00 0.00 57.07 57.01 1mjg s TYR 254 Cb -0.28 -4.15 -0.03 0.00 0.42 0.00 0.00 41.96 37.91 1mjg s TYR 254 CO 0.02 -1.48 0.02 -0.51 0.64 0.00 0.00 175.55 174.24 1mjg s LEU 255 N 3.44 3.65 0.00 6.97 1.43 0.27 -2.52 118.68 131.93 1mjg s LEU 255 Ca 0.18 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1mjg s LEU 255 Cb -0.20 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1mjg s LEU 255 CO 0.09 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1mjg n GLY 256 N 2.28 -0.80 3.59 -3.19 0.00 -0.93 -1.01 105.19 105.13 1mjg n GLY 256 Ca -0.19 -1.70 -0.47 0.00 0.00 0.00 0.00 46.02 43.67 1mjg n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 257 N -0.74 1.30 -2.73 1.61 2.13 -1.26 -4.81 120.64 116.14 1mjg n GLU 257 Ca 0.00 0.46 -0.28 0.00 0.66 0.00 0.00 57.16 58.00 1mjg n GLU 257 Cb 0.00 -1.91 -0.01 0.00 0.27 0.00 0.00 31.44 29.79 1mjg n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mjg s HIS 258 N -0.57 3.54 -0.01 4.31 3.76 -1.26 -4.96 115.29 120.10 1mjg s HIS 258 Ca 0.66 0.84 -0.06 0.00 -0.15 0.00 0.00 55.06 56.35 1mjg s HIS 258 Cb -0.77 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1mjg s HIS 258 CO 0.55 -0.21 0.13 0.16 -0.85 0.00 0.00 174.74 174.52 1mjg s ASP 259 N -3.87 -0.01 0.38 1.40 -4.77 -1.26 -5.07 116.67 103.47 1mjg s ASP 259 Ca 0.48 -0.08 0.16 0.00 -3.30 0.00 0.00 52.55 49.81 1mjg s ASP 259 Cb -0.10 0.23 1.06 0.00 -1.09 0.00 0.00 42.92 43.01 1mjg s ASP 259 CO 0.41 -0.27 1.74 0.00 0.70 0.00 0.00 175.17 177.76 1mjg h MET 260 N 4.80 0.41 -0.21 2.11 -0.00 -1.98 -1.31 114.93 118.75 1mjg h MET 260 Ca -0.29 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.70 59.24 1mjg h MET 260 Cb 1.20 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 1mjg h MET 260 CO 0.41 0.27 -0.41 0.28 -0.00 0.00 0.00 176.91 177.46 1mjg h VAL 261 N 0.43 1.32 -0.65 -0.10 2.07 -1.88 -0.77 116.25 116.67 1mjg h VAL 261 Ca 0.63 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1mjg h VAL 261 Cb 1.50 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1mjg h VAL 261 CO -0.37 0.51 0.27 0.11 0.02 0.00 0.00 177.57 178.11 1mjg h LYS 262 N 0.35 0.97 -0.48 1.57 1.57 -1.77 0.16 116.57 118.94 1mjg h LYS 262 Ca 0.01 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1mjg h LYS 262 Cb 1.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1mjg h LYS 262 CO 0.09 0.81 0.22 1.15 -0.57 0.00 0.00 179.45 181.15 1mjg h THR 263 N 0.92 1.20 -0.75 -0.16 2.02 -1.21 0.20 112.91 115.13 1mjg h THR 263 Ca 0.22 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1mjg h THR 263 Cb 0.20 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1mjg h THR 263 CO -0.02 0.22 0.38 0.00 0.37 0.00 0.00 175.52 176.47 1mjg h ALA 264 N 1.06 1.26 -0.60 6.16 0.00 -0.84 -0.89 119.26 125.41 1mjg h ALA 264 Ca 0.16 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 264 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1mjg h ALA 264 CO -0.02 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 1mjg h ALA 265 N 1.36 0.86 -0.64 0.00 0.00 -0.27 -2.29 119.26 118.28 1mjg h ALA 265 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mjg h ALA 265 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1mjg h ALA 265 CO -0.04 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.23 1mjg h ALA 266 N 1.02 1.42 0.00 0.00 0.00 0.25 -0.10 119.26 121.85 1mjg h ALA 266 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1mjg h ALA 266 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mjg h ALA 266 CO 0.03 0.48 0.00 1.19 0.00 0.00 0.00 179.25 180.95 1mjg n PHE 267 N -4.38 0.63 0.05 0.00 3.72 -0.42 -1.10 117.46 115.96 1mjg n PHE 267 Ca 0.06 0.25 -0.12 0.00 -0.05 0.00 0.00 57.45 57.59 1mjg n PHE 267 Cb 0.09 -0.90 -0.01 0.00 -0.94 0.00 0.00 39.48 37.73 1mjg n PHE 267 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1mjg h GLY 268 N 2.33 0.48 0.84 1.37 0.00 -0.74 -0.57 103.07 106.77 1mjg h GLY 268 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1mjg h GLY 268 CO 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 176.54 177.15 1mjg h ALA 269 N 0.84 0.33 -0.47 3.60 0.00 -0.97 -2.74 119.26 119.84 1mjg h ALA 269 Ca -0.05 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1mjg h ALA 269 Cb 1.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1mjg h ALA 269 CO 0.14 0.09 0.27 0.82 0.00 0.00 0.00 179.25 180.57 1mjg h ILE 270 N 0.20 1.01 -0.89 0.00 2.04 -1.22 -0.02 117.51 118.63 1mjg h ILE 270 Ca 0.06 -0.18 0.21 0.00 1.00 0.00 0.00 64.86 65.95 1mjg h ILE 270 Cb 0.48 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1mjg h ILE 270 CO 0.02 0.10 0.60 0.15 0.00 0.00 0.00 178.15 179.01 1mjg h PHE 271 N 0.53 0.45 -0.18 1.37 3.57 -0.93 0.15 116.94 121.90 1mjg h PHE 271 Ca 0.20 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1mjg h PHE 271 Cb 0.06 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1mjg h PHE 271 CO -0.08 0.12 0.00 -2.37 -2.23 0.00 0.00 178.31 173.75 1mjg n THR 272 N -4.48 0.21 0.00 4.41 5.66 -0.64 -4.94 114.28 114.51 1mjg n THR 272 Ca 0.19 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1mjg n THR 272 Cb 0.74 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 1mjg n THR 272 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mjg n GLY 273 N 1.31 1.07 3.55 1.09 0.00 0.54 -3.94 105.19 108.81 1mjg n GLY 273 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1mjg n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 274 N -2.00 3.13 0.53 1.61 0.08 -0.12 -4.81 117.98 116.40 1mjg s PHE 274 Ca 0.00 -0.15 -0.18 0.00 0.12 0.00 0.00 56.93 56.72 1mjg s PHE 274 Cb 0.00 -2.04 -0.07 0.00 -0.57 0.00 0.00 43.02 40.34 1mjg s PHE 274 CO 0.00 0.01 1.02 -1.25 -0.10 0.00 0.00 175.22 174.90 1mjg s PRO 275 N 0.49 3.73 -0.20 0.24 0.04 -1.26 -2.86 135.00 135.18 1mjg s PRO 275 Ca 0.00 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.19 1mjg s PRO 275 Cb -0.13 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1mjg s PRO 275 CO 0.02 -0.47 -0.15 0.08 0.04 0.00 0.00 177.00 176.53 1mjg s VAL 276 N -2.36 2.47 -0.20 -0.36 1.01 0.18 -1.11 120.40 120.03 1mjg s VAL 276 Ca 0.63 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1mjg s VAL 276 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1mjg s VAL 276 CO 0.28 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 175.18 1mjg s ILE 277 N 1.34 3.50 0.07 2.22 1.09 0.58 -2.17 121.20 127.82 1mjg s ILE 277 Ca 0.04 -0.46 0.06 0.00 -1.10 0.00 0.00 60.65 59.19 1mjg s ILE 277 Cb -0.14 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.65 1mjg s ILE 277 CO -0.10 0.44 -0.09 0.28 -0.10 0.00 0.00 174.94 175.37 1mjg s THR 278 N 1.18 3.45 -2.21 2.92 -1.32 -0.28 -0.74 115.64 118.65 1mjg s THR 278 Ca 0.02 -1.11 0.21 0.00 -1.21 0.00 0.00 61.69 59.61 1mjg s THR 278 Cb -0.14 -2.58 0.50 0.00 -1.51 0.00 0.00 72.50 68.77 1mjg s THR 278 CO -0.01 0.20 1.64 -0.90 -2.21 0.00 0.00 174.62 173.34 1mjg n ASP 279 N 0.97 1.12 -4.86 8.08 5.75 -1.05 -1.23 116.55 125.34 1mjg n ASP 279 Ca -0.14 -1.58 -0.34 0.00 -0.01 0.00 0.00 54.79 52.72 1mjg n ASP 279 Cb 0.52 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 1mjg n ASP 279 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1mjg s GLN 280 N -1.88 3.88 0.14 0.11 -1.52 -1.26 -4.41 119.66 114.73 1mjg s GLN 280 Ca 0.32 0.36 -0.31 0.00 -1.95 0.00 0.00 55.36 53.78 1mjg s GLN 280 Cb 0.17 -2.89 -0.08 0.00 -0.22 0.00 0.00 33.01 29.99 1mjg s GLN 280 CO 0.26 0.47 1.30 -2.14 -0.25 0.00 0.00 175.29 174.93 1mjg s PRO 281 N -2.12 4.39 -0.09 2.91 0.02 -1.26 -4.60 135.00 134.25 1mjg s PRO 281 Ca 0.38 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.42 1mjg s PRO 281 Cb -0.14 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.13 1mjg s PRO 281 CO 0.19 -0.29 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.83 1mjg s LEU 282 N 0.51 2.14 1.25 -5.54 1.43 -1.26 -5.09 118.68 112.11 1mjg s LEU 282 Ca 0.59 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 1mjg s LEU 282 Cb -0.35 -1.42 0.31 0.00 0.03 0.00 0.00 46.19 44.76 1mjg s LEU 282 CO 0.33 0.18 1.01 -2.84 0.23 0.00 0.00 176.35 175.27 1mjg s PRO 283 N 0.21 -1.55 0.14 1.29 0.02 -1.26 -4.88 135.00 128.96 1mjg s PRO 283 Ca -0.14 0.42 -0.16 0.00 0.02 0.00 0.00 61.00 61.13 1mjg s PRO 283 Cb -0.17 -1.51 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 1mjg s PRO 283 CO 0.07 -4.04 1.73 0.93 -0.33 0.00 0.00 177.00 175.37 1mjg h GLU 284 N -2.83 0.54 -0.91 5.54 5.08 -2.00 -2.80 114.58 117.20 1mjg h GLU 284 Ca -0.53 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1mjg h GLU 284 Cb 1.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1mjg h GLU 284 CO 0.42 0.46 0.03 -0.40 -1.00 0.00 0.00 179.01 178.52 1mjg n ASP 285 N -4.73 2.36 -0.23 1.42 3.85 -1.26 -3.56 116.55 114.41 1mjg n ASP 285 Ca -0.00 -2.26 0.04 0.00 -0.71 0.00 0.00 54.79 51.86 1mjg n ASP 285 Cb 0.09 -0.55 0.06 0.00 -1.35 0.00 0.00 41.12 39.37 1mjg n ASP 285 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1mjg n LYS 286 N 0.14 0.84 -4.01 0.11 4.76 -1.05 -3.02 118.16 115.93 1mjg n LYS 286 Ca 0.08 -1.70 -0.08 0.00 -2.87 0.00 0.00 58.31 53.74 1mjg n LYS 286 Cb 0.54 -0.99 -0.10 0.00 -1.84 0.00 0.00 35.03 32.65 1mjg n LYS 286 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1mjg s GLN 287 N -1.36 0.61 -0.14 1.97 1.03 -1.23 -4.79 119.66 115.74 1mjg s GLN 287 Ca 0.14 -1.02 -0.03 0.00 0.04 0.00 0.00 55.36 54.50 1mjg s GLN 287 Cb 0.12 0.22 0.05 0.00 0.03 0.00 0.00 33.01 33.43 1mjg s GLN 287 CO 0.01 -0.14 0.03 0.42 -2.54 0.00 0.00 175.29 173.08 1mjg s ILE 288 N -3.38 0.36 0.17 3.63 1.01 0.59 -4.74 121.20 118.84 1mjg s ILE 288 Ca 0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 60.65 60.13 1mjg s ILE 288 Cb 0.04 -0.74 -0.15 0.00 0.01 0.00 0.00 42.46 41.61 1mjg s ILE 288 CO -0.08 -0.02 1.32 -2.65 0.00 0.00 0.00 174.94 173.51 1mjg n PRO 289 N 5.13 1.51 0.00 2.79 -0.02 -1.26 -0.87 135.00 142.27 1mjg n PRO 289 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1mjg n PRO 289 Cb 0.49 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1mjg n PRO 289 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mjg n ASP 290 N 2.36 0.00 0.00 2.55 8.00 -1.26 -4.68 116.55 123.52 1mjg n ASP 290 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1mjg n ASP 290 Cb 0.26 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1mjg n ASP 290 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1mjg n TRP 291 N -2.00 0.00 -3.29 1.24 7.02 -0.62 -4.67 117.44 115.13 1mjg n TRP 291 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1mjg n TRP 291 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 1mjg n TRP 291 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1mjg s PHE 292 N -1.90 -0.34 0.22 -5.99 2.19 -0.05 0.52 117.98 112.62 1mjg s PHE 292 Ca 0.00 -0.94 -0.00 0.00 0.33 0.00 0.00 56.93 56.32 1mjg s PHE 292 Cb 0.00 -0.35 -0.04 0.00 -1.31 0.00 0.00 43.02 41.32 1mjg s PHE 292 CO 0.00 -1.00 0.13 -0.59 1.83 0.00 0.00 175.22 175.59 1mjg s PHE 293 N 1.20 1.27 0.09 10.12 -0.12 -0.92 -0.30 117.98 129.31 1mjg s PHE 293 Ca 0.20 -1.35 -0.06 0.00 -0.05 0.00 0.00 56.93 55.67 1mjg s PHE 293 Cb -0.11 -0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 41.60 1mjg s PHE 293 CO -0.05 -0.59 0.34 0.45 -0.05 0.00 0.00 175.22 175.32 1mjg s SER 294 N -3.20 6.51 -0.38 1.98 0.15 -1.26 -1.13 113.70 116.37 1mjg s SER 294 Ca 0.39 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.69 1mjg s SER 294 Cb 0.07 -2.10 0.17 0.00 -1.71 0.00 0.00 66.02 62.45 1mjg s SER 294 CO 0.13 0.14 0.50 -0.69 1.20 0.00 0.00 173.24 174.52 1mjg s VAL 295 N -1.50 -0.67 -0.10 4.45 1.01 -0.37 -4.92 120.40 118.30 1mjg s VAL 295 Ca 0.35 -0.48 0.20 0.00 0.00 0.00 0.00 61.98 62.06 1mjg s VAL 295 Cb -0.13 -0.38 0.19 0.00 0.00 0.00 0.00 36.38 36.06 1mjg s VAL 295 CO 0.21 -0.29 1.63 -0.33 0.00 0.00 0.00 175.10 176.33 1mjg h GLU 296 N 7.10 0.00 -6.49 2.72 5.08 -1.78 -3.37 114.58 117.83 1mjg h GLU 296 Ca 0.04 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.85 1mjg h GLU 296 Cb 1.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1mjg h GLU 296 CO 0.15 0.29 1.06 0.34 -1.00 0.00 0.00 179.01 179.85 1mjg s ASP 297 N -6.29 6.27 0.57 1.42 -1.08 -1.26 -4.87 116.67 111.43 1mjg s ASP 297 Ca 0.03 0.37 0.38 0.00 -0.52 0.00 0.00 52.55 52.82 1mjg s ASP 297 Cb 0.08 -2.55 2.04 0.00 -1.46 0.00 0.00 42.92 41.03 1mjg s ASP 297 CO 0.69 -1.58 2.17 1.88 0.52 0.00 0.00 175.17 178.85 1mjg h TYR 298 N 10.57 0.00 0.00 -5.34 -1.99 -1.99 -1.12 116.97 117.10 1mjg h TYR 298 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1mjg h TYR 298 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1mjg h TYR 298 CO 1.02 0.00 -0.08 -0.25 -0.00 0.00 0.00 178.16 178.85 1mjg n ASP 299 N -2.89 0.40 -0.00 3.88 10.43 -1.26 -3.75 116.55 123.35 1mjg n ASP 299 Ca -0.02 0.45 0.05 0.00 2.57 0.00 0.00 54.79 57.83 1mjg n ASP 299 Cb 0.09 -0.51 -0.06 0.00 1.84 0.00 0.00 41.12 42.48 1mjg n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1mjg n LYS 300 N -1.83 1.58 -0.15 -1.24 5.02 -0.46 -4.77 118.16 116.30 1mjg n LYS 300 Ca 0.06 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1mjg n LYS 300 Cb 0.38 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 1mjg n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1mjg h ILE 301 N 0.00 0.01 -0.16 -0.18 2.04 -1.55 0.17 117.51 117.85 1mjg h ILE 301 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1mjg h ILE 301 Cb 0.35 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1mjg h ILE 301 CO 0.00 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.65 1mjg h VAL 302 N -0.38 0.74 -0.19 1.67 2.07 -1.86 -0.45 116.25 117.85 1mjg h VAL 302 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1mjg h VAL 302 Cb 0.59 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1mjg h VAL 302 CO -0.61 0.00 0.06 -0.61 0.02 0.00 0.00 177.57 176.44 1mjg h GLN 303 N -0.07 0.15 -0.36 1.57 4.15 -1.76 -1.18 115.11 117.60 1mjg h GLN 303 Ca 0.09 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1mjg h GLN 303 Cb 0.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1mjg h GLN 303 CO -0.20 0.10 -0.04 0.82 -1.93 0.00 0.00 178.83 177.58 1mjg h ILE 304 N 0.15 1.22 -0.37 2.39 2.04 -0.76 -0.91 117.51 121.27 1mjg h ILE 304 Ca 0.08 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1mjg h ILE 304 Cb 0.05 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1mjg h ILE 304 CO -0.08 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.37 1mjg h ALA 305 N 1.40 0.50 -0.46 1.87 0.00 -0.73 0.06 119.26 121.90 1mjg h ALA 305 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1mjg h ALA 305 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1mjg h ALA 305 CO 0.02 0.28 0.12 0.52 0.00 0.00 0.00 179.25 180.19 1mjg h MET 306 N 0.48 0.73 -0.48 0.00 2.86 -0.96 -0.14 114.93 117.42 1mjg h MET 306 Ca 0.10 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1mjg h MET 306 Cb 0.48 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1mjg h MET 306 CO 0.02 0.71 0.19 0.93 1.06 0.00 0.00 176.91 179.82 1mjg h GLU 307 N 0.61 0.71 -0.58 1.72 5.08 -1.07 0.13 114.58 121.18 1mjg h GLU 307 Ca 0.15 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1mjg h GLU 307 Cb 0.30 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1mjg h GLU 307 CO -0.00 0.64 0.31 1.15 -1.00 0.00 0.00 179.01 180.11 1mjg h THR 308 N 0.63 1.19 0.00 1.13 2.02 -0.77 -2.55 112.91 114.55 1mjg h THR 308 Ca 0.16 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1mjg h THR 308 Cb 0.19 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1mjg h THR 308 CO -0.01 0.21 -0.33 -0.09 0.37 0.00 0.00 175.52 175.67 1mjg h ARG 309 N 0.79 0.00 0.00 6.66 9.65 -0.80 -3.47 114.38 127.21 1mjg h ARG 309 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1mjg h ARG 309 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1mjg h ARG 309 CO -0.03 0.33 0.00 0.41 2.80 0.00 0.00 179.97 183.48 1mjg n GLY 310 N 0.37 1.12 3.64 2.80 0.00 0.22 -5.03 105.19 108.32 1mjg n GLY 310 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1mjg n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 311 N -2.00 4.95 -0.12 -0.61 1.01 0.17 -5.02 121.20 119.57 1mjg s ILE 311 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1mjg s ILE 311 Cb 0.00 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1mjg s ILE 311 CO 0.00 0.03 -0.16 -0.54 0.00 0.00 0.00 174.94 174.27 1mjg s LYS 312 N 2.38 2.33 -0.06 2.79 1.02 -1.26 -4.50 119.74 122.43 1mjg s LYS 312 Ca 0.30 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 1mjg s LYS 312 Cb -0.16 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1mjg s LYS 312 CO 0.09 -0.11 0.15 -0.48 -0.92 0.00 0.00 175.35 174.08 1mjg s LEU 313 N 1.12 1.31 -0.07 3.17 0.05 -1.26 -5.05 118.68 117.95 1mjg s LEU 313 Ca -0.03 0.30 0.10 0.00 0.05 0.00 0.00 54.13 54.55 1mjg s LEU 313 Cb -0.14 0.49 0.15 0.00 -2.05 0.00 0.00 46.19 44.63 1mjg s LEU 313 CO -0.04 -0.07 1.05 0.35 -0.55 0.00 0.00 176.35 177.09 1mjg n THR 314 N 3.20 1.03 -1.69 5.48 -2.24 -1.26 -5.05 114.28 113.75 1mjg n THR 314 Ca -0.15 -1.22 -0.45 0.00 -2.27 0.00 0.00 64.05 59.97 1mjg n THR 314 Cb 0.58 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1mjg n THR 314 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mjg n LYS 315 N -0.76 2.39 -2.67 -0.78 5.02 -1.26 -4.87 118.16 115.23 1mjg n LYS 315 Ca 0.08 0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 1mjg n LYS 315 Cb 0.62 -2.67 -0.03 0.00 -0.02 0.00 0.00 35.03 32.93 1mjg n LYS 315 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mjg s ILE 316 N 1.39 4.13 -0.27 -0.18 1.01 -1.26 -4.96 121.20 121.05 1mjg s ILE 316 Ca 0.79 -0.79 -0.35 0.00 0.00 0.00 0.00 60.65 60.31 1mjg s ILE 316 Cb -0.61 -4.94 -0.11 0.00 0.01 0.00 0.00 42.46 36.80 1mjg s ILE 316 CO 0.37 -1.78 2.08 0.29 0.00 0.00 0.00 174.94 175.90 1mjg n LYS 317 N 8.27 1.42 -2.38 2.79 5.02 -1.26 -4.87 118.16 127.14 1mjg n LYS 317 Ca 0.24 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.55 1mjg n LYS 317 Cb 0.50 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.94 1mjg n LYS 317 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1mjg s LEU 318 N 6.33 4.28 -1.08 -0.35 2.34 -1.26 -4.87 118.68 124.07 1mjg s LEU 318 Ca 1.04 1.89 -0.26 0.00 0.06 0.00 0.00 54.13 56.86 1mjg s LEU 318 Cb -0.79 -3.56 -0.20 0.00 -0.56 0.00 0.00 46.19 41.08 1mjg s LEU 318 CO 0.50 -0.65 2.05 -0.67 -1.06 0.00 0.00 176.35 176.52 1mjg n ASP 319 N 5.50 1.80 -4.90 1.48 2.03 -1.26 -4.90 116.55 116.30 1mjg n ASP 319 Ca 0.12 -2.55 -0.28 0.00 0.52 0.00 0.00 54.79 52.60 1mjg n ASP 319 Cb 0.45 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 39.14 1mjg n ASP 319 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1mjg s LEU 320 N 15.05 3.76 0.36 -2.67 1.43 -1.26 -4.98 118.68 130.36 1mjg s LEU 320 Ca 0.78 0.97 0.27 0.00 -1.03 0.00 0.00 54.13 55.11 1mjg s LEU 320 Cb -0.03 -3.88 1.02 0.00 0.03 0.00 0.00 46.19 43.34 1mjg s LEU 320 CO 0.18 -0.46 1.80 1.55 0.23 0.00 0.00 176.35 179.65 1mjg h PRO 321 N 0.78 0.00 -6.16 1.29 0.13 -1.89 -3.44 132.00 122.72 1mjg h PRO 321 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 1mjg h PRO 321 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1mjg h PRO 321 CO 0.63 0.00 -0.68 0.96 -0.23 0.00 0.00 178.00 178.68 1mjg s ILE 322 N -3.39 2.89 0.64 -3.56 -4.36 -1.26 -4.74 121.20 107.42 1mjg s ILE 322 Ca 0.04 -2.11 -0.13 0.00 -0.26 0.00 0.00 60.65 58.19 1mjg s ILE 322 Cb 0.09 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1mjg s ILE 322 CO 0.49 -0.34 1.05 0.21 0.24 0.00 0.00 174.94 176.60 1mjg s ASN 323 N -3.62 5.65 -0.02 4.36 3.04 -1.26 -4.87 114.94 118.22 1mjg s ASN 323 Ca 0.32 1.69 0.00 0.00 0.04 0.00 0.00 52.86 54.91 1mjg s ASN 323 Cb -0.04 -2.51 0.02 0.00 -1.54 0.00 0.00 41.25 37.18 1mjg s ASN 323 CO 0.18 -1.26 0.01 0.12 -3.04 0.00 0.00 177.10 173.12 1mjg s PHE 324 N -2.78 0.13 0.00 0.43 5.36 -1.26 -1.07 117.98 118.79 1mjg s PHE 324 Ca 0.60 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 1mjg s PHE 324 Cb -0.14 -0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.28 1mjg s PHE 324 CO 0.46 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.55 1mjg n GLY 325 N 3.92 1.99 0.33 13.12 0.00 -0.04 -4.34 105.19 120.16 1mjg n GLY 325 Ca -0.24 -0.89 0.17 0.00 0.00 0.00 0.00 46.02 45.06 1mjg n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mjg h PRO 326 N 0.00 0.00 -0.20 1.61 0.13 -1.84 -2.12 132.00 129.58 1mjg h PRO 326 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1mjg h PRO 326 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1mjg h PRO 326 CO 0.00 0.00 0.13 0.00 -0.23 0.00 0.00 178.00 177.90 1mjg h ALA 327 N 1.77 1.91 -0.14 -0.56 0.00 -1.85 -2.19 119.26 118.20 1mjg h ALA 327 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 327 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1mjg h ALA 327 CO -0.00 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.51 1mjg n PHE 328 N -4.51 0.17 -0.04 0.00 3.01 -0.80 -4.28 117.46 111.02 1mjg n PHE 328 Ca 0.00 -0.08 -0.12 0.00 1.01 0.00 0.00 57.45 58.26 1mjg n PHE 328 Cb 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1mjg n PHE 328 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1mjg h GLU 329 N 2.84 0.23 0.00 -1.08 4.81 -1.39 -3.06 114.58 116.93 1mjg h GLU 329 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mjg h GLU 329 Cb 0.61 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1mjg h GLU 329 CO 0.00 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.22 1mjg n GLY 330 N -0.11 -0.89 3.58 1.92 0.00 -1.26 -4.88 105.19 103.53 1mjg n GLY 330 Ca -0.06 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1mjg n GLY 330 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 331 N -1.08 0.20 -4.37 1.61 2.13 -1.16 -5.04 120.64 112.94 1mjg n GLU 331 Ca 0.18 0.13 -0.19 0.00 0.66 0.00 0.00 57.16 57.94 1mjg n GLU 331 Cb 0.12 -2.15 -0.14 0.00 0.27 0.00 0.00 31.44 29.53 1mjg n GLU 331 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1mjg s SER 332 N -1.84 1.13 -0.37 4.31 0.15 -1.26 -5.00 113.70 110.82 1mjg s SER 332 Ca 0.69 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 1mjg s SER 332 Cb -0.30 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1mjg s SER 332 CO 0.55 0.10 0.20 -0.63 1.20 0.00 0.00 173.24 174.66 1mjg s ILE 333 N -0.31 4.51 0.42 6.45 -1.09 -1.26 -5.08 121.20 124.85 1mjg s ILE 333 Ca 0.03 -0.87 -0.25 0.00 -2.23 0.00 0.00 60.65 57.33 1mjg s ILE 333 Cb -0.04 -3.52 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 1mjg s ILE 333 CO -0.00 -0.22 1.23 -0.13 -1.23 0.00 0.00 174.94 174.59 1mjg s ARG 334 N 1.54 3.90 0.39 2.79 0.52 -1.26 -4.84 118.95 121.99 1mjg s ARG 334 Ca 0.02 1.97 0.15 0.00 -0.52 0.00 0.00 55.73 57.35 1mjg s ARG 334 Cb -0.19 -2.63 1.01 0.00 0.52 0.00 0.00 34.95 33.67 1mjg s ARG 334 CO 0.06 -0.49 1.81 0.87 0.02 0.00 0.00 175.30 177.57 1mjg h LYS 335 N 2.46 0.47 0.00 3.54 6.56 -1.98 0.21 116.57 127.83 1mjg h LYS 335 Ca -0.49 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1mjg h LYS 335 Cb 1.25 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1mjg h LYS 335 CO 0.62 0.31 0.00 0.78 -2.06 0.00 0.00 179.45 179.10 1mjg h GLY 336 N 0.48 0.00 -1.07 3.86 0.00 -2.04 -2.83 103.07 101.47 1mjg h GLY 336 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1mjg h GLY 336 CO -0.26 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.50 1mjg n ASP 337 N -2.58 2.36 -4.67 0.19 9.92 0.61 -4.98 116.55 117.41 1mjg n ASP 337 Ca 0.02 -1.69 -0.43 0.00 -0.53 0.00 0.00 54.79 52.16 1mjg n ASP 337 Cb 0.31 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 1mjg n ASP 337 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1mjg s MET 338 N -0.96 4.32 -0.19 -1.24 1.75 -0.51 -0.14 119.30 122.33 1mjg s MET 338 Ca 0.17 1.31 -0.21 0.00 -1.25 0.00 0.00 55.69 55.71 1mjg s MET 338 Cb 0.11 -3.60 -0.18 0.00 2.84 0.00 0.00 34.83 33.99 1mjg s MET 338 CO 0.15 -0.48 0.27 -0.92 -0.65 0.00 0.00 175.02 173.38 1mjg h TYR 339 N 7.33 0.00 -3.30 4.11 3.20 -0.74 -3.34 116.97 124.23 1mjg h TYR 339 Ca -0.25 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.26 1mjg h TYR 339 Cb 1.10 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.22 1mjg h TYR 339 CO 0.73 1.26 -0.73 0.08 -1.64 0.00 0.00 178.16 177.87 1mjg s VAL 340 N -2.31 1.32 -0.20 1.81 1.01 -1.13 0.66 120.40 121.56 1mjg s VAL 340 Ca -0.26 -2.03 -0.09 0.00 0.00 0.00 0.00 61.98 59.60 1mjg s VAL 340 Cb 0.04 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.67 1mjg s VAL 340 CO 0.56 -0.66 0.45 -0.70 0.00 0.00 0.00 175.10 174.75 1mjg s GLU 341 N -3.54 0.40 0.05 2.72 2.12 -1.09 -2.42 118.70 116.94 1mjg s GLU 341 Ca 0.17 0.97 0.05 0.00 0.36 0.00 0.00 54.97 56.51 1mjg s GLU 341 Cb 0.01 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 1mjg s GLU 341 CO 0.02 -0.20 -0.14 0.00 -0.54 0.00 0.00 175.26 174.40 1mjg s MET 342 N 2.02 0.92 1.75 4.30 0.23 -1.00 -2.50 119.30 125.01 1mjg s MET 342 Ca -0.06 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.78 1mjg s MET 342 Cb -0.10 -0.93 0.00 0.00 -1.53 0.00 0.00 34.83 32.27 1mjg s MET 342 CO -0.14 0.22 0.00 0.41 -2.03 0.00 0.00 175.02 173.49 1mjg n GLY 343 N 1.72 -0.93 2.41 3.16 0.00 -1.22 0.31 105.19 110.64 1mjg n GLY 343 Ca -0.19 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 1mjg n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 344 N 0.00 -0.15 2.93 -0.02 0.00 0.51 -1.10 105.19 107.36 1mjg n GLY 344 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1mjg n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mjg n ASN 345 N -1.80 -5.13 -0.02 1.61 4.13 -1.26 -4.80 115.26 107.98 1mjg n ASN 345 Ca -0.21 -0.20 0.02 0.00 1.68 0.00 0.00 54.58 55.87 1mjg n ASN 345 Cb 0.65 -4.21 -0.09 0.00 -1.54 0.00 0.00 39.78 34.59 1mjg n ASN 345 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1mjg n ARG 346 N -3.62 1.00 -3.46 3.52 1.74 -0.26 -5.01 116.66 110.56 1mjg n ARG 346 Ca -0.11 -0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 1mjg n ARG 346 Cb 0.61 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 1mjg n ARG 346 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1mjg s THR 347 N -2.64 0.00 0.31 0.55 -4.23 -1.23 -4.95 115.64 103.46 1mjg s THR 347 Ca -0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 1mjg s THR 347 Cb 0.06 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 1mjg s THR 347 CO 0.48 0.00 1.30 -2.16 -0.54 0.00 0.00 174.62 173.70 1mjg s PRO 348 N -2.89 4.38 -0.15 3.99 0.04 -1.26 -3.37 135.00 135.74 1mjg s PRO 348 Ca -0.02 2.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 1mjg s PRO 348 Cb -0.01 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.49 1mjg s PRO 348 CO -0.06 -0.18 0.56 0.00 0.04 0.00 0.00 177.00 177.37 1mjg s ALA 349 N -0.94 -1.42 0.12 8.56 0.00 -1.25 -1.25 121.76 125.57 1mjg s ALA 349 Ca 0.50 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 1mjg s ALA 349 Cb -0.39 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1mjg s ALA 349 CO 0.50 -0.30 0.53 -0.59 0.00 0.00 0.00 175.76 175.91 1mjg s PHE 350 N -0.31 -0.43 0.03 0.00 -0.12 -0.22 -4.23 117.98 112.69 1mjg s PHE 350 Ca -0.05 0.27 0.05 0.00 -0.05 0.00 0.00 56.93 57.15 1mjg s PHE 350 Cb -0.03 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1mjg s PHE 350 CO 0.04 -0.76 -0.16 -1.83 -0.05 0.00 0.00 175.22 172.46 1mjg s GLU 351 N -3.42 1.10 -0.24 1.99 -1.05 -0.48 -0.67 118.70 115.92 1mjg s GLU 351 Ca -0.00 -0.73 -0.17 0.00 -0.15 0.00 0.00 54.97 53.92 1mjg s GLU 351 Cb -0.00 -1.11 0.07 0.00 -0.44 0.00 0.00 34.13 32.64 1mjg s GLU 351 CO -0.10 0.29 0.62 -1.17 0.95 0.00 0.00 175.26 175.85 1mjg s LEU 352 N -0.93 -0.60 -0.14 1.83 2.96 0.38 -4.43 118.68 117.75 1mjg s LEU 352 Ca 0.04 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1mjg s LEU 352 Cb -0.07 2.12 -0.02 0.00 0.50 0.00 0.00 46.19 48.72 1mjg s LEU 352 CO 0.01 -0.22 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.04 1mjg s VAL 353 N 1.10 3.48 0.02 1.68 1.01 -1.26 -0.56 120.40 125.86 1mjg s VAL 353 Ca -0.06 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1mjg s VAL 353 Cb -0.05 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1mjg s VAL 353 CO -0.11 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 1mjg s ARG 354 N 0.30 0.53 -0.08 2.72 1.70 -0.43 -4.88 118.95 118.82 1mjg s ARG 354 Ca -0.07 -0.44 -0.24 0.00 -0.47 0.00 0.00 55.73 54.51 1mjg s ARG 354 Cb -0.15 -0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 33.76 1mjg s ARG 354 CO 0.04 0.11 0.72 0.99 -1.08 0.00 0.00 175.30 176.08 1mjg s THR 355 N -0.62 5.03 0.22 4.99 2.01 -1.26 0.44 115.64 126.44 1mjg s THR 355 Ca -0.02 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.54 1mjg s THR 355 Cb -0.05 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1mjg s THR 355 CO 0.00 0.23 -0.16 0.68 -0.69 0.00 0.00 174.62 174.67 1mjg s VAL 356 N 0.94 1.94 0.61 3.82 -7.23 0.21 -4.87 120.40 115.82 1mjg s VAL 356 Ca 0.38 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 1mjg s VAL 356 Cb -0.18 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1mjg s VAL 356 CO 0.18 -0.50 1.10 -0.94 -0.31 0.00 0.00 175.10 174.63 1mjg s SER 357 N -3.26 5.41 0.36 4.85 1.04 -1.26 -4.55 113.70 116.29 1mjg s SER 357 Ca 0.23 2.01 0.09 0.00 0.48 0.00 0.00 55.95 58.76 1mjg s SER 357 Cb -0.03 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 64.37 1mjg s SER 357 CO 0.09 -1.42 1.86 -0.08 0.98 0.00 0.00 173.24 174.66 1mjg h GLU 358 N 0.43 0.66 0.00 4.02 4.81 -1.96 0.16 114.58 122.69 1mjg h GLU 358 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1mjg h GLU 358 Cb 1.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1mjg h GLU 358 CO 0.55 0.43 0.00 -1.13 -0.73 0.00 0.00 179.01 178.14 1mjg n SER 359 N -4.57 0.71 -1.60 1.04 3.41 -1.26 -3.40 113.62 107.94 1mjg n SER 359 Ca 0.18 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 1mjg n SER 359 Cb 0.50 -0.76 0.36 0.00 -0.26 0.00 0.00 64.21 64.06 1mjg n SER 359 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1mjg n GLU 360 N -2.16 3.69 -3.86 4.33 2.13 0.03 -4.94 120.64 119.86 1mjg n GLU 360 Ca 0.06 -2.88 -0.12 0.00 0.66 0.00 0.00 57.16 54.88 1mjg n GLU 360 Cb 0.41 -1.88 -0.12 0.00 0.27 0.00 0.00 31.44 30.12 1mjg n GLU 360 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1mjg s ILE 361 N -1.79 0.03 -0.25 6.31 2.07 -1.17 -4.82 121.20 121.58 1mjg s ILE 361 Ca 0.52 -0.25 -0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1mjg s ILE 361 Cb 0.33 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.72 1mjg s ILE 361 CO 0.26 -0.14 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.19 1mjg s THR 362 N -0.42 2.68 0.20 4.00 2.01 -1.26 -4.96 115.64 117.88 1mjg s THR 362 Ca -0.05 -1.20 -0.32 0.00 0.31 0.00 0.00 61.69 60.43 1mjg s THR 362 Cb -0.03 -2.42 -0.12 0.00 0.01 0.00 0.00 72.50 69.94 1mjg s THR 362 CO 0.00 0.13 1.74 -0.62 -0.69 0.00 0.00 174.62 175.18 1mjg s ASP 363 N 1.26 6.38 0.00 3.53 2.15 -1.26 -2.00 116.67 126.74 1mjg s ASP 363 Ca -0.02 2.86 0.00 0.00 0.43 0.00 0.00 52.55 55.82 1mjg s ASP 363 Cb -0.18 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1mjg s ASP 363 CO -0.05 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.58 1mjg n GLY 364 N 4.01 1.73 3.65 2.66 0.00 0.01 -4.95 105.19 112.29 1mjg n GLY 364 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1mjg n GLY 364 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mjg s LYS 365 N -0.08 4.01 -0.08 1.61 2.20 -0.84 -4.93 119.74 121.62 1mjg s LYS 365 Ca 0.00 1.84 0.04 0.00 -0.36 0.00 0.00 55.97 57.49 1mjg s LYS 365 Cb 0.00 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1mjg s LYS 365 CO 0.00 -1.03 -0.21 0.42 -0.36 0.00 0.00 175.35 174.17 1mjg s ILE 366 N 4.48 1.79 -0.09 5.43 1.01 -1.26 -1.01 121.20 131.55 1mjg s ILE 366 Ca 0.69 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 1mjg s ILE 366 Cb -0.27 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1mjg s ILE 366 CO 0.27 0.50 0.22 -1.83 0.00 0.00 0.00 174.94 174.10 1mjg s GLU 367 N 0.35 0.23 -0.36 2.79 -1.05 -0.59 -5.01 118.70 115.06 1mjg s GLU 367 Ca -0.15 0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 54.91 1mjg s GLU 367 Cb -0.17 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.54 1mjg s GLU 367 CO 0.07 -0.08 0.26 0.08 0.95 0.00 0.00 175.26 176.53 1mjg s VAL 368 N 0.57 5.28 -0.82 1.83 1.01 -1.26 -0.73 120.40 126.28 1mjg s VAL 368 Ca -0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1mjg s VAL 368 Cb -0.05 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1mjg s VAL 368 CO -0.03 -0.08 0.91 -0.63 0.00 0.00 0.00 175.10 175.27 1mjg s ILE 369 N 1.72 5.05 -0.92 2.22 -1.09 0.45 -4.92 121.20 123.71 1mjg s ILE 369 Ca 0.06 -1.75 0.00 0.00 -2.23 0.00 0.00 60.65 56.73 1mjg s ILE 369 Cb -0.18 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.09 1mjg s ILE 369 CO 0.10 -1.26 0.00 0.61 -1.23 0.00 0.00 174.94 173.16 1mjg n GLY 370 N 4.92 0.52 3.68 6.18 0.00 -1.26 -1.74 105.19 117.49 1mjg n GLY 370 Ca 0.13 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1mjg n GLY 370 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mjg s PRO 371 N -0.37 4.16 0.80 1.61 0.02 -1.26 -4.92 135.00 135.05 1mjg s PRO 371 Ca 0.00 2.49 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 1mjg s PRO 371 Cb 0.00 -3.70 0.18 0.00 0.02 0.00 0.00 34.50 31.00 1mjg s PRO 371 CO 0.00 -0.82 1.09 -3.47 -0.33 0.00 0.00 177.00 173.47 1mjg n ASP 372 N 6.00 0.44 0.12 2.53 -0.08 -1.26 -4.75 116.55 119.56 1mjg n ASP 372 Ca 0.17 -1.61 -0.01 0.00 -1.51 0.00 0.00 54.79 51.83 1mjg n ASP 372 Cb 0.40 -0.80 0.26 0.00 2.34 0.00 0.00 41.12 43.31 1mjg n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1mjg h ILE 373 N -1.34 1.31 -0.32 5.18 2.10 -1.95 -2.78 117.51 119.71 1mjg h ILE 373 Ca -0.36 -1.49 -0.02 0.00 1.08 0.00 0.00 64.86 64.08 1mjg h ILE 373 Cb 1.07 1.71 -0.01 0.00 -1.09 0.00 0.00 36.82 38.50 1mjg h ILE 373 CO 0.29 0.44 0.03 -0.90 -1.08 0.00 0.00 178.15 176.92 1mjg n ASP 374 N -4.03 3.47 -0.24 2.19 5.75 -1.26 -3.65 116.55 118.78 1mjg n ASP 374 Ca -0.02 -2.51 0.06 0.00 -0.01 0.00 0.00 54.79 52.31 1mjg n ASP 374 Cb 0.47 -0.60 0.08 0.00 -1.03 0.00 0.00 41.12 40.03 1mjg n ASP 374 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mjg n GLN 375 N 0.27 0.79 -4.15 0.11 6.02 -1.05 -5.06 117.38 114.32 1mjg n GLN 375 Ca 0.16 -1.90 -0.10 0.00 -0.01 0.00 0.00 57.00 55.15 1mjg n GLN 375 Cb 0.77 -1.08 -0.10 0.00 1.02 0.00 0.00 30.24 30.86 1mjg n GLN 375 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1mjg s ILE 376 N -1.65 0.45 0.38 5.09 -5.25 -1.24 -4.82 121.20 114.16 1mjg s ILE 376 Ca 0.18 -1.90 -0.25 0.00 -0.99 0.00 0.00 60.65 57.69 1mjg s ILE 376 Cb 0.16 -1.74 -0.09 0.00 2.95 0.00 0.00 42.46 43.74 1mjg s ILE 376 CO 0.02 -0.80 1.09 -2.16 -1.79 0.00 0.00 174.94 171.30 1mjg s PRO 377 N -3.91 4.21 0.09 0.37 0.04 -1.26 -4.97 135.00 129.57 1mjg s PRO 377 Ca 0.14 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 1mjg s PRO 377 Cb 0.07 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 1mjg s PRO 377 CO -0.04 -0.14 1.81 -2.00 0.04 0.00 0.00 177.00 176.67 1mjg s GLU 378 N -2.26 4.15 0.00 4.56 2.12 -1.26 -2.32 118.70 123.68 1mjg s GLU 378 Ca 0.55 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1mjg s GLU 378 Cb -0.26 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1mjg s GLU 378 CO 0.33 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 1mjg n GLY 379 N 4.23 0.62 3.97 -1.50 0.00 0.21 -5.04 105.19 107.68 1mjg n GLY 379 Ca 0.18 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 1mjg n GLY 379 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjg s SER 380 N -2.73 5.29 0.60 1.61 1.04 -0.98 -4.96 113.70 113.57 1mjg s SER 380 Ca 0.00 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 55.85 1mjg s SER 380 Cb 0.00 -0.32 0.10 0.00 0.10 0.00 0.00 66.02 65.90 1mjg s SER 380 CO 0.00 -0.90 0.82 -0.54 0.98 0.00 0.00 173.24 173.60 1mjg s LYS 381 N -4.36 2.22 0.00 4.02 1.02 -1.26 -2.65 119.74 118.72 1mjg s LYS 381 Ca 0.53 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1mjg s LYS 381 Cb -0.07 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1mjg s LYS 381 CO 0.32 -0.95 0.00 -0.11 -0.92 0.00 0.00 175.35 173.69 1mjg n LEU 382 N -2.31 0.00 -4.76 3.17 7.94 -1.04 -4.82 117.00 115.17 1mjg n LEU 382 Ca 0.16 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.68 1mjg n LEU 382 Cb 0.62 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.57 1mjg n LEU 382 CO 0.40 0.00 0.92 -2.84 -1.11 0.00 0.00 177.39 174.76 1mjg s PRO 383 N -0.11 3.64 -0.01 1.96 0.02 -1.25 -4.21 135.00 135.04 1mjg s PRO 383 Ca 0.00 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1mjg s PRO 383 Cb 0.00 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1mjg s PRO 383 CO 0.00 -0.73 -0.04 -1.17 -0.33 0.00 0.00 177.00 174.73 1mjg s LEU 384 N -2.98 1.89 -0.16 -5.54 2.96 -0.38 -4.19 118.68 110.28 1mjg s LEU 384 Ca 0.64 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1mjg s LEU 384 Cb -0.35 -0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.14 1mjg s LEU 384 CO 0.43 0.04 0.06 -0.83 -1.32 0.00 0.00 176.35 174.73 1mjg s GLY 385 N 0.05 0.48 -0.33 7.98 0.00 -0.15 -1.06 107.32 114.29 1mjg s GLY 385 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 1mjg s GLY 385 CO -0.00 1.55 0.23 -0.42 0.00 0.00 0.00 173.10 174.46 1mjg s ILE 386 N 2.03 5.29 -0.21 0.90 1.01 0.16 -0.87 121.20 129.51 1mjg s ILE 386 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1mjg s ILE 386 Cb -0.16 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1mjg s ILE 386 CO -0.08 0.05 -0.15 -0.22 0.00 0.00 0.00 174.94 174.54 1mjg s LEU 387 N 1.74 2.64 -0.30 2.97 2.96 -0.67 -0.47 118.68 127.54 1mjg s LEU 387 Ca 0.06 -0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 53.10 1mjg s LEU 387 Cb -0.17 -1.54 0.05 0.00 0.50 0.00 0.00 46.19 45.03 1mjg s LEU 387 CO 0.11 -0.07 0.01 -0.69 -1.32 0.00 0.00 176.35 174.39 1mjg s VAL 388 N 1.26 3.08 -0.14 1.68 1.01 0.27 -1.25 120.40 126.32 1mjg s VAL 388 Ca 0.01 -1.35 -0.21 0.00 0.00 0.00 0.00 61.98 60.44 1mjg s VAL 388 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1mjg s VAL 388 CO -0.09 -0.11 0.60 -1.81 0.00 0.00 0.00 175.10 173.69 1mjg s ASP 389 N 1.27 6.76 -0.03 3.32 -0.00 0.66 -1.31 116.67 127.35 1mjg s ASP 389 Ca -0.05 0.92 0.05 0.00 -0.00 0.00 0.00 52.55 53.48 1mjg s ASP 389 Cb -0.20 -2.35 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 1mjg s ASP 389 CO -0.01 -0.15 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.20 1mjg s ILE 390 N 1.23 2.73 -0.04 0.77 -1.09 0.17 -1.85 121.20 123.12 1mjg s ILE 390 Ca 0.30 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1mjg s ILE 390 Cb -0.16 -2.05 0.03 0.00 -1.58 0.00 0.00 42.46 38.70 1mjg s ILE 390 CO 0.12 0.56 0.01 -0.47 -1.23 0.00 0.00 174.94 173.93 1mjg s TYR 391 N -0.72 0.32 -0.25 3.97 5.04 -0.77 -0.62 117.35 124.33 1mjg s TYR 391 Ca 0.11 0.02 -0.26 0.00 -2.44 0.00 0.00 57.07 54.50 1mjg s TYR 391 Cb -0.10 -0.46 0.12 0.00 0.35 0.00 0.00 41.96 41.86 1mjg s TYR 391 CO 0.01 -0.16 1.00 0.20 -1.34 0.00 0.00 175.55 175.26 1mjg s GLY 392 N 1.30 -0.21 0.27 8.97 0.00 -1.25 -0.22 107.32 116.17 1mjg s GLY 392 Ca -0.06 2.46 0.15 0.00 0.00 0.00 0.00 44.72 47.27 1mjg s GLY 392 CO -0.02 1.61 1.40 -0.96 0.00 0.00 0.00 173.10 175.13 1mjg n ARG 393 N 1.84 0.10 -0.09 2.90 1.85 -1.19 -1.23 116.66 120.84 1mjg n ARG 393 Ca -0.12 0.57 0.04 0.00 -1.00 0.00 0.00 57.85 57.34 1mjg n ARG 393 Cb 0.56 -1.94 0.06 0.00 -1.05 0.00 0.00 32.46 30.09 1mjg n ARG 393 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1mjg n LYS 394 N -2.04 1.59 -2.48 2.89 5.02 -1.09 -5.02 118.16 117.03 1mjg n LYS 394 Ca -0.01 -1.79 -0.36 0.00 -2.02 0.00 0.00 58.31 54.14 1mjg n LYS 394 Cb 0.15 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1mjg n LYS 394 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1mjg s MET 395 N -1.56 3.95 0.13 1.97 1.75 -0.37 -4.73 119.30 120.46 1mjg s MET 395 Ca 0.13 1.51 -0.04 0.00 -1.25 0.00 0.00 55.69 56.05 1mjg s MET 395 Cb 0.12 -2.36 -0.03 0.00 2.84 0.00 0.00 34.83 35.40 1mjg s MET 395 CO 0.01 -0.33 0.12 -0.65 -0.65 0.00 0.00 175.02 173.53 1mjg s GLN 396 N -2.79 0.97 0.27 4.11 -0.21 -1.26 -4.97 119.66 115.79 1mjg s GLN 396 Ca 0.62 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1mjg s GLN 396 Cb -0.21 0.28 0.39 0.00 1.00 0.00 0.00 33.01 34.47 1mjg s GLN 396 CO 0.26 -0.30 1.75 0.00 -2.12 0.00 0.00 175.29 174.88 1mjg h ALA 397 N 2.78 1.12 0.00 6.09 0.00 -2.01 -2.48 119.26 124.76 1mjg h ALA 397 Ca -0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1mjg h ALA 397 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1mjg h ALA 397 CO 0.56 0.55 -0.23 -0.44 0.00 0.00 0.00 179.25 179.70 1mjg h ASP 398 N 0.58 0.00 1.36 0.00 3.45 -2.01 -2.87 116.42 116.93 1mjg h ASP 398 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1mjg h ASP 398 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1mjg h ASP 398 CO 0.03 0.23 -0.13 0.49 -1.57 0.00 0.00 179.24 178.29 1mjg n PHE 399 N -3.61 0.88 -0.19 4.55 0.99 -0.94 -3.84 117.46 115.29 1mjg n PHE 399 Ca -0.01 0.26 -0.06 0.00 -0.00 0.00 0.00 57.45 57.64 1mjg n PHE 399 Cb 0.36 -0.90 0.04 0.00 -1.00 0.00 0.00 39.48 37.98 1mjg n PHE 399 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1mjg h GLU 400 N 0.00 0.70 -0.46 -1.08 5.08 -1.44 -1.48 114.58 115.91 1mjg h GLU 400 Ca 0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1mjg h GLU 400 Cb 0.75 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1mjg h GLU 400 CO 0.00 0.46 -0.04 0.78 -1.00 0.00 0.00 179.01 179.21 1mjg h GLY 401 N 0.72 0.84 0.86 -3.84 0.00 -1.75 -0.39 103.07 99.51 1mjg h GLY 401 Ca 0.22 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1mjg h GLY 401 CO -0.07 0.54 -0.17 -2.08 0.00 0.00 0.00 176.54 174.76 1mjg h VAL 402 N 0.72 0.63 -0.32 4.60 2.07 -1.54 -1.35 116.25 121.05 1mjg h VAL 402 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1mjg h VAL 402 Cb 0.50 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1mjg h VAL 402 CO 0.03 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.57 1mjg h LEU 403 N -0.42 0.53 -1.68 2.57 4.07 -1.20 -2.98 115.31 116.20 1mjg h LEU 403 Ca -0.02 -0.28 0.08 0.00 0.08 0.00 0.00 57.88 57.74 1mjg h LEU 403 Cb 0.36 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1mjg h LEU 403 CO -0.00 0.68 0.36 -0.08 -1.08 0.00 0.00 178.44 178.31 1mjg h GLU 404 N 0.36 0.36 0.00 1.13 4.81 -0.96 -0.75 114.58 119.52 1mjg h GLU 404 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1mjg h GLU 404 Cb 0.39 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1mjg h GLU 404 CO 0.01 0.24 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.18 1mjg h ARG 405 N 0.37 0.00 0.00 1.92 2.43 -1.08 -2.75 114.38 115.27 1mjg h ARG 405 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1mjg h ARG 405 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1mjg h ARG 405 CO -0.06 0.26 0.00 0.54 -1.51 0.00 0.00 179.97 179.20 1mjg n ARG 406 N -4.20 0.23 -0.16 0.20 5.12 -0.29 -3.33 116.66 114.22 1mjg n ARG 406 Ca -0.02 0.26 0.07 0.00 -1.93 0.00 0.00 57.85 56.24 1mjg n ARG 406 Cb 0.31 -1.81 0.38 0.00 -1.16 0.00 0.00 32.46 30.19 1mjg n ARG 406 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1mjg h ILE 407 N 0.00 1.00 -0.28 0.55 2.04 -1.49 0.18 117.51 119.51 1mjg h ILE 407 Ca 0.00 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1mjg h ILE 407 Cb 0.62 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1mjg h ILE 407 CO 0.00 0.13 0.04 -0.74 0.00 0.00 0.00 178.15 177.58 1mjg h HIS 408 N 0.69 0.06 -0.03 1.37 2.76 -1.75 -2.10 115.15 116.15 1mjg h HIS 408 Ca 0.31 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1mjg h HIS 408 Cb 0.31 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1mjg h HIS 408 CO -0.00 0.00 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.11 1mjg h ASP 409 N 0.14 0.12 -0.96 3.26 3.32 -1.44 -2.75 116.42 118.10 1mjg h ASP 409 Ca 0.13 -0.61 0.13 0.00 0.02 0.00 0.00 57.03 56.70 1mjg h ASP 409 Cb 0.15 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 1mjg h ASP 409 CO -0.18 0.71 0.58 -0.26 -1.72 0.00 0.00 179.24 178.36 1mjg h PHE 410 N -0.47 1.05 -0.03 4.55 0.04 -0.97 -2.27 116.94 118.85 1mjg h PHE 410 Ca -0.00 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.59 1mjg h PHE 410 Cb 0.69 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.54 1mjg h PHE 410 CO 0.13 0.37 -0.80 0.82 -0.60 0.00 0.00 178.31 178.22 1mjg h ILE 411 N 0.88 1.34 0.00 -0.55 2.04 -1.46 -3.27 117.51 116.49 1mjg h ILE 411 Ca 0.50 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1mjg h ILE 411 Cb 0.57 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1mjg h ILE 411 CO -0.30 0.64 -0.07 0.78 0.00 0.00 0.00 178.15 179.21 1mjg h ASN 412 N 0.20 0.00 0.35 1.72 2.35 -1.14 -1.99 115.58 117.08 1mjg h ASN 412 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1mjg h ASN 412 Cb 1.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.85 1mjg h ASN 412 CO 0.16 0.07 0.00 1.88 -1.65 0.00 0.00 177.43 177.89 1mjg h TYR 413 N 0.00 0.00 -3.36 1.19 0.99 -1.48 -3.21 116.97 111.10 1mjg h TYR 413 Ca -0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1mjg h TYR 413 Cb 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 1mjg h TYR 413 CO 0.00 0.00 0.44 0.20 -0.00 0.00 0.00 178.16 178.80 1mjg s GLY 414 N -3.85 2.75 -0.41 3.88 0.00 -0.75 -0.86 107.32 108.08 1mjg s GLY 414 Ca -0.01 0.67 -0.28 0.00 0.00 0.00 0.00 44.72 45.09 1mjg s GLY 414 CO 0.37 1.78 1.60 1.85 0.00 0.00 0.00 173.10 178.70 1mjg s GLU 415 N 0.83 3.38 0.00 2.90 2.12 -0.23 -1.76 118.70 125.94 1mjg s GLU 415 Ca 0.54 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1mjg s GLU 415 Cb -0.25 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1mjg s GLU 415 CO 0.29 -1.80 0.00 0.41 -0.54 0.00 0.00 175.26 173.62 1mjg n GLY 416 N 5.28 0.73 3.49 -1.50 0.00 -1.26 -4.64 105.19 107.29 1mjg n GLY 416 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1mjg n GLY 416 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjg s LEU 417 N 0.00 3.16 0.07 0.99 1.43 -0.72 -0.84 118.68 122.75 1mjg s LEU 417 Ca 0.00 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1mjg s LEU 417 Cb 0.00 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1mjg s LEU 417 CO 0.00 0.20 -0.14 0.86 0.23 0.00 0.00 176.35 177.50 1mjg s TRP 418 N 0.14 1.21 -0.27 0.29 -0.00 -0.21 -4.47 118.94 115.63 1mjg s TRP 418 Ca -0.02 -0.44 -0.24 0.00 -0.00 0.00 0.00 56.10 55.39 1mjg s TRP 418 Cb -0.14 -0.69 0.07 0.00 -0.00 0.00 0.00 33.47 32.72 1mjg s TRP 418 CO 0.03 0.05 0.73 -1.58 -0.00 0.00 0.00 176.95 176.19 1mjg s HIS 419 N -1.21 -0.80 0.06 5.86 5.65 -1.26 -2.04 115.29 121.54 1mjg s HIS 419 Ca -0.02 1.91 -0.08 0.00 0.25 0.00 0.00 55.06 57.13 1mjg s HIS 419 Cb -0.10 0.31 -0.00 0.00 -1.18 0.00 0.00 32.58 31.61 1mjg s HIS 419 CO 0.02 -0.39 0.16 0.95 -0.65 0.00 0.00 174.74 174.83 1mjg s THR 420 N 0.51 0.13 0.00 0.89 -4.23 -1.04 -4.92 115.64 106.98 1mjg s THR 420 Ca -0.01 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1mjg s THR 420 Cb -0.05 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.70 1mjg s THR 420 CO -0.02 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1mjg n GLY 421 N 0.40 -2.09 3.82 3.99 0.00 -1.26 -2.77 105.19 107.29 1mjg n GLY 421 Ca -0.17 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 1mjg n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mjg s GLN 422 N -0.11 2.03 3.74 1.61 -2.07 -1.25 -4.86 119.66 118.75 1mjg s GLN 422 Ca 0.00 -1.27 0.00 0.00 -1.82 0.00 0.00 55.36 52.27 1mjg s GLN 422 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1mjg s GLN 422 CO 0.00 -0.95 0.00 0.54 -1.32 0.00 0.00 175.29 173.56 1mjg n ARG 423 N -0.53 0.00 -1.01 9.60 1.74 -1.26 -0.60 116.66 124.60 1mjg n ARG 423 Ca -0.07 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.93 1mjg n ARG 423 Cb 0.60 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.31 1mjg n ARG 423 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1mjg n ASN 424 N 3.30 4.60 -1.19 0.55 2.04 -1.26 -1.38 115.26 121.90 1mjg n ASN 424 Ca 0.00 -3.20 -0.04 0.00 -0.44 0.00 0.00 54.58 50.89 1mjg n ASN 424 Cb 0.00 -0.75 0.13 0.00 -2.53 0.00 0.00 39.78 36.63 1mjg n ASN 424 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1mjg n ILE 425 N -0.24 2.18 -1.17 1.53 5.41 0.23 -4.77 119.36 122.53 1mjg n ILE 425 Ca 0.41 -3.46 -0.30 0.00 1.00 0.00 0.00 62.75 60.41 1mjg n ILE 425 Cb 1.38 -0.44 0.23 0.00 -0.71 0.00 0.00 39.64 40.10 1mjg n ILE 425 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1mjg s ASN 426 N -3.32 1.26 -0.30 4.38 0.02 -1.22 -3.79 114.94 111.98 1mjg s ASN 426 Ca 0.42 0.65 -0.12 0.00 -1.02 0.00 0.00 52.86 52.79 1mjg s ASN 426 Cb 0.38 -0.91 0.18 0.00 0.02 0.00 0.00 41.25 40.92 1mjg s ASN 426 CO -0.04 -3.91 1.06 0.86 0.02 0.00 0.00 177.10 175.09 1mjg s TRP 427 N -3.08 -0.45 0.27 2.20 -0.00 -1.11 -0.36 118.94 116.40 1mjg s TRP 427 Ca 0.71 0.30 0.08 0.00 -0.00 0.00 0.00 56.10 57.18 1mjg s TRP 427 Cb -0.10 0.09 -0.04 0.00 -0.00 0.00 0.00 33.47 33.42 1mjg s TRP 427 CO 0.56 -0.26 0.14 -0.51 -0.00 0.00 0.00 176.95 176.88 1mjg s LEU 428 N 2.96 3.57 -0.19 5.86 2.01 0.15 -2.49 118.68 130.55 1mjg s LEU 428 Ca 0.22 -0.43 -0.17 0.00 0.01 0.00 0.00 54.13 53.75 1mjg s LEU 428 Cb -0.03 -2.10 0.05 0.00 0.01 0.00 0.00 46.19 44.12 1mjg s LEU 428 CO -0.21 -0.08 0.51 -0.13 1.01 0.00 0.00 176.35 177.45 1mjg s ARG 429 N -3.81 0.59 -0.10 1.70 0.52 -0.87 -2.37 118.95 114.60 1mjg s ARG 429 Ca 0.34 0.71 0.02 0.00 -0.52 0.00 0.00 55.73 56.27 1mjg s ARG 429 Cb -0.07 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.70 1mjg s ARG 429 CO 0.23 -0.07 -0.14 0.08 0.02 0.00 0.00 175.30 175.42 1mjg s VAL 430 N 0.30 1.43 0.49 3.52 1.01 -1.01 -1.04 120.40 125.10 1mjg s VAL 430 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1mjg s VAL 430 Cb -0.04 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1mjg s VAL 430 CO 0.00 0.43 1.08 -0.94 0.00 0.00 0.00 175.10 175.67 1mjg s SER 431 N 1.00 6.18 0.51 3.32 1.04 -0.02 -0.10 113.70 125.63 1mjg s SER 431 Ca -0.07 2.04 0.27 0.00 0.48 0.00 0.00 55.95 58.68 1mjg s SER 431 Cb -0.15 -2.57 1.38 0.00 0.10 0.00 0.00 66.02 64.78 1mjg s SER 431 CO -0.01 -0.90 2.04 0.07 0.98 0.00 0.00 173.24 175.41 1mjg h LYS 432 N 1.57 0.00 -0.32 4.02 2.10 -0.82 -1.91 116.57 121.21 1mjg h LYS 432 Ca -0.50 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.02 1mjg h LYS 432 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1mjg h LYS 432 CO 0.59 0.13 -0.34 0.22 -2.00 0.00 0.00 179.45 178.05 1mjg h ASP 433 N 0.00 0.73 -0.38 7.07 -0.00 -1.91 -0.68 116.42 121.24 1mjg h ASP 433 Ca -0.00 -0.31 -0.08 0.00 -0.00 0.00 0.00 57.03 56.65 1mjg h ASP 433 Cb 0.39 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.51 1mjg h ASP 433 CO 0.02 1.01 -0.06 0.00 -0.00 0.00 0.00 179.24 180.20 1mjg h ALA 434 N 1.03 0.52 -0.53 -0.78 0.00 -1.65 -2.06 119.26 115.80 1mjg h ALA 434 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1mjg h ALA 434 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1mjg h ALA 434 CO 0.07 0.36 0.23 0.28 0.00 0.00 0.00 179.25 180.19 1mjg h VAL 435 N 0.53 1.21 -0.74 0.00 2.07 -1.33 -2.10 116.25 115.88 1mjg h VAL 435 Ca 0.10 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1mjg h VAL 435 Cb 0.57 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1mjg h VAL 435 CO 0.03 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.35 1mjg h ALA 436 N 1.07 1.63 0.00 1.67 0.00 -0.98 0.01 119.26 122.67 1mjg h ALA 436 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mjg h ALA 436 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mjg h ALA 436 CO -0.02 0.27 0.00 0.87 0.00 0.00 0.00 179.25 180.37 1mjg h LYS 437 N 0.84 0.00 0.00 0.00 1.57 -0.77 -3.46 116.57 114.75 1mjg h LYS 437 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1mjg h LYS 437 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1mjg h LYS 437 CO -0.10 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.19 1mjg n GLY 438 N 0.13 1.30 3.71 3.86 0.00 -0.01 -4.81 105.19 109.37 1mjg n GLY 438 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1mjg n GLY 438 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mjg s PHE 439 N -1.90 2.95 0.06 1.61 5.36 -0.85 -4.86 117.98 120.36 1mjg s PHE 439 Ca 0.00 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 56.63 1mjg s PHE 439 Cb 0.00 -3.88 -0.03 0.00 -0.34 0.00 0.00 43.02 38.77 1mjg s PHE 439 CO 0.00 -3.30 -0.12 1.03 -1.46 0.00 0.00 175.22 171.37 1mjg s ARG 440 N 1.51 0.72 0.63 10.12 3.00 -1.26 -4.64 118.95 129.02 1mjg s ARG 440 Ca 0.70 -0.89 0.23 0.00 0.00 0.00 0.00 55.73 55.77 1mjg s ARG 440 Cb -0.41 -0.63 1.14 0.00 0.00 0.00 0.00 34.95 35.05 1mjg s ARG 440 CO 0.31 0.13 1.62 0.74 0.00 0.00 0.00 175.30 178.10 1mjg h PHE 441 N 4.34 0.00 -0.53 -0.53 0.05 -1.96 0.56 116.94 118.87 1mjg h PHE 441 Ca -0.39 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.41 1mjg h PHE 441 Cb 1.20 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.12 1mjg h PHE 441 CO 0.64 0.00 0.35 -0.22 -0.18 0.00 0.00 178.31 178.90 1mjg h LYS 442 N 0.00 0.69 -0.35 1.51 3.64 -1.97 -1.92 116.57 118.17 1mjg h LYS 442 Ca 0.17 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1mjg h LYS 442 Cb 1.53 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1mjg h LYS 442 CO -0.00 0.45 0.21 -0.91 -2.27 0.00 0.00 179.45 176.94 1mjg h ASN 443 N 0.71 0.41 -0.35 4.20 -0.26 -0.28 -1.69 115.58 118.31 1mjg h ASN 443 Ca 0.19 -0.02 0.06 0.00 -0.56 0.00 0.00 56.30 55.98 1mjg h ASN 443 Cb -0.07 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.04 1mjg h ASN 443 CO -0.04 0.31 0.04 1.88 -1.06 0.00 0.00 177.43 178.56 1mjg h TYR 444 N 0.48 0.06 -0.64 1.19 0.05 -1.48 -1.39 116.97 115.24 1mjg h TYR 444 Ca 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1mjg h TYR 444 Cb -0.02 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1mjg h TYR 444 CO 0.00 -0.01 0.32 0.78 -1.05 0.00 0.00 178.16 178.19 1mjg h GLY 445 N 0.15 0.99 0.89 3.88 0.00 -1.40 -1.88 103.07 105.71 1mjg h GLY 445 Ca 0.17 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1mjg h GLY 445 CO -0.24 0.46 0.48 0.83 0.00 0.00 0.00 176.54 178.07 1mjg h GLU 446 N 0.89 0.92 0.39 4.80 5.08 -0.88 0.99 114.58 126.77 1mjg h GLU 446 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1mjg h GLU 446 Cb 0.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1mjg h GLU 446 CO -0.03 0.61 -0.19 0.82 -1.00 0.00 0.00 179.01 179.23 1mjg h ILE 447 N 0.95 0.62 -0.97 3.13 2.04 -1.07 -2.23 117.51 119.98 1mjg h ILE 447 Ca 0.30 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1mjg h ILE 447 Cb -0.01 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 1mjg h ILE 447 CO -0.10 0.06 0.63 -0.07 0.00 0.00 0.00 178.15 178.67 1mjg h LEU 448 N -0.71 1.04 0.67 1.44 3.38 -1.16 0.11 115.31 120.08 1mjg h LEU 448 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1mjg h LEU 448 Cb 0.50 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1mjg h LEU 448 CO 0.09 0.71 -0.32 0.58 0.09 0.00 0.00 178.44 179.58 1mjg h VAL 449 N 1.20 0.31 -0.70 1.22 2.07 -0.75 -0.72 116.25 118.88 1mjg h VAL 449 Ca 0.39 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 1mjg h VAL 449 Cb 0.04 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1mjg h VAL 449 CO -0.13 0.01 0.31 0.00 0.02 0.00 0.00 177.57 177.79 1mjg h ALA 450 N -0.69 0.90 -0.25 1.67 0.00 -1.23 -2.77 119.26 116.91 1mjg h ALA 450 Ca -0.09 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1mjg h ALA 450 Cb 0.71 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1mjg h ALA 450 CO 0.15 0.50 -0.42 0.87 0.00 0.00 0.00 179.25 180.35 1mjg h LYS 451 N 0.99 0.72 -0.66 0.00 1.79 -1.00 -1.60 116.57 116.82 1mjg h LYS 451 Ca 0.24 -0.44 0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1mjg h LYS 451 Cb 0.17 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1mjg h LYS 451 CO -0.02 1.07 0.42 0.52 -1.08 0.00 0.00 179.45 180.35 1mjg h MET 452 N 0.45 0.81 -0.36 3.15 2.86 -1.11 0.61 114.93 121.34 1mjg h MET 452 Ca 0.02 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1mjg h MET 452 Cb 1.01 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1mjg h MET 452 CO 0.09 0.54 -0.09 0.87 1.06 0.00 0.00 176.91 179.38 1mjg h LYS 453 N 0.83 0.70 -0.11 1.72 1.57 -1.49 -1.81 116.57 117.99 1mjg h LYS 453 Ca 0.25 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1mjg h LYS 453 Cb -0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1mjg h LYS 453 CO -0.08 0.85 0.02 1.49 -0.57 0.00 0.00 179.45 181.16 1mjg h GLU 454 N 0.49 0.17 -0.08 3.15 4.81 -0.94 -3.16 114.58 119.02 1mjg h GLU 454 Ca 0.09 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 1mjg h GLU 454 Cb 0.60 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1mjg h GLU 454 CO 0.04 0.36 -0.67 0.93 -0.73 0.00 0.00 179.01 178.94 1mjg h GLU 455 N -0.05 0.35 -2.19 1.92 4.39 -0.94 -3.38 114.58 114.69 1mjg h GLU 455 Ca 0.03 -0.27 -0.58 0.00 0.34 0.00 0.00 59.36 58.88 1mjg h GLU 455 Cb 0.27 0.05 -0.42 0.00 -0.10 0.00 0.00 28.75 28.56 1mjg h GLU 455 CO 0.00 0.90 -0.71 1.19 -1.16 0.00 0.00 179.01 179.23 1mjg n PHE 456 N -3.86 3.13 -1.83 4.33 3.01 -0.68 -5.10 117.46 116.47 1mjg n PHE 456 Ca -0.03 -4.01 -0.37 0.00 1.01 0.00 0.00 57.45 54.04 1mjg n PHE 456 Cb 0.67 -0.50 0.05 0.00 -0.01 0.00 0.00 39.48 39.69 1mjg n PHE 456 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1mjg s PRO 457 N -2.72 2.85 0.00 -1.08 0.02 -1.19 -1.06 135.00 131.81 1mjg s PRO 457 Ca 0.43 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1mjg s PRO 457 Cb 0.22 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1mjg s PRO 457 CO -0.07 -1.37 0.00 0.00 -0.33 0.00 0.00 177.00 175.23 1mjg n ALA 458 N -1.54 0.00 0.15 -1.55 0.00 -1.26 -4.39 120.51 111.92 1mjg n ALA 458 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1mjg n ALA 458 Cb 0.47 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.13 1mjg n ALA 458 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1mjg h ILE 459 N 0.00 1.31 -3.67 0.00 2.04 -1.82 -2.87 117.51 112.50 1mjg h ILE 459 Ca 0.00 -1.99 -0.63 0.00 1.00 0.00 0.00 64.86 63.24 1mjg h ILE 459 Cb 0.00 2.10 -0.38 0.00 -0.74 0.00 0.00 36.82 37.80 1mjg h ILE 459 CO 0.00 0.55 -0.78 -0.69 0.00 0.00 0.00 178.15 177.23 1mjg s VAL 460 N -3.59 1.71 -0.07 1.67 1.01 -0.22 -3.73 120.40 117.18 1mjg s VAL 460 Ca -0.01 -1.43 0.12 0.00 0.00 0.00 0.00 61.98 60.66 1mjg s VAL 460 Cb 0.12 -1.98 -0.17 0.00 0.00 0.00 0.00 36.38 34.34 1mjg s VAL 460 CO 0.74 -0.16 0.16 0.47 0.00 0.00 0.00 175.10 176.31 1mjg n ASP 461 N 4.59 2.05 -3.81 3.32 8.00 0.69 -4.64 116.55 126.75 1mjg n ASP 461 Ca -0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.27 1mjg n ASP 461 Cb 0.43 1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 42.60 1mjg n ASP 461 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mjg s ARG 462 N -2.59 0.22 0.00 -1.24 0.52 -0.05 -5.01 118.95 110.80 1mjg s ARG 462 Ca -0.05 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 1mjg s ARG 462 Cb 0.06 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1mjg s ARG 462 CO 0.51 -0.03 -0.08 0.08 0.02 0.00 0.00 175.30 175.80 1mjg s VAL 463 N 0.11 0.66 -0.04 3.52 1.01 -1.26 -1.85 120.40 122.56 1mjg s VAL 463 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1mjg s VAL 463 Cb -0.01 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1mjg s VAL 463 CO 0.00 0.13 -0.03 -1.58 0.00 0.00 0.00 175.10 173.62 1mjg s GLN 464 N -0.36 0.61 -0.02 2.72 0.74 -0.77 -0.81 119.66 121.77 1mjg s GLN 464 Ca 0.02 -0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.46 1mjg s GLN 464 Cb -0.04 -0.68 -0.02 0.00 1.10 0.00 0.00 33.01 33.38 1mjg s GLN 464 CO -0.00 -0.09 -0.21 0.08 -0.55 0.00 0.00 175.29 174.51 1mjg s VAL 465 N 0.92 1.68 -0.07 1.34 1.01 -0.18 -0.24 120.40 124.85 1mjg s VAL 465 Ca -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1mjg s VAL 465 Cb -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1mjg s VAL 465 CO -0.00 0.48 -0.07 -0.89 0.00 0.00 0.00 175.10 174.61 1mjg s THR 466 N -0.45 0.79 -0.37 3.92 2.01 -0.38 -1.54 115.64 119.62 1mjg s THR 466 Ca 0.07 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 1mjg s THR 466 Cb -0.09 -0.80 0.05 0.00 0.01 0.00 0.00 72.50 71.67 1mjg s THR 466 CO -0.00 0.30 0.18 -0.63 -0.69 0.00 0.00 174.62 173.77 1mjg s ILE 467 N 1.18 4.13 -0.27 1.82 1.09 0.10 -1.68 121.20 127.58 1mjg s ILE 467 Ca -0.06 -1.14 -0.19 0.00 -1.10 0.00 0.00 60.65 58.15 1mjg s ILE 467 Cb -0.14 -3.39 -0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1mjg s ILE 467 CO -0.02 -0.30 0.59 -0.36 -0.10 0.00 0.00 174.94 174.76 1mjg s PHE 468 N 1.45 3.26 -0.02 3.97 0.40 -0.05 -0.42 117.98 126.58 1mjg s PHE 468 Ca 0.01 0.69 0.07 0.00 -0.60 0.00 0.00 56.93 57.11 1mjg s PHE 468 Cb -0.20 -2.84 -0.11 0.00 0.51 0.00 0.00 43.02 40.37 1mjg s PHE 468 CO 0.04 -0.35 0.17 0.25 0.70 0.00 0.00 175.22 176.02 1mjg n THR 469 N 5.23 0.00 -2.66 0.64 -2.24 -0.71 -0.98 114.28 113.56 1mjg n THR 469 Ca -0.02 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 1mjg n THR 469 Cb 0.49 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1mjg n THR 469 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1mjg s ASP 470 N -2.82 7.07 -1.40 3.42 1.47 -1.22 -3.89 116.67 119.30 1mjg s ASP 470 Ca -0.03 1.94 -0.14 0.00 1.18 0.00 0.00 52.55 55.50 1mjg s ASP 470 Cb 0.05 -2.58 0.06 0.00 -0.34 0.00 0.00 42.92 40.11 1mjg s ASP 470 CO 0.31 -0.27 2.07 1.21 0.68 0.00 0.00 175.17 179.18 1mjg n GLU 471 N 0.27 3.02 0.01 2.11 2.13 -1.26 -3.41 120.64 123.51 1mjg n GLU 471 Ca 0.03 -2.87 0.00 0.00 0.66 0.00 0.00 57.16 54.98 1mjg n GLU 471 Cb 0.50 -3.28 0.00 0.00 0.27 0.00 0.00 31.44 28.92 1mjg n GLU 471 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mjg n ALA 472 N 6.28 0.58 0.52 4.31 0.00 -1.26 -4.86 120.51 126.08 1mjg n ALA 472 Ca 0.50 0.00 0.10 0.00 0.00 0.00 0.00 53.44 54.04 1mjg n ALA 472 Cb 0.40 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.27 1mjg n ALA 472 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mjg n LYS 473 N -2.54 0.10 0.10 0.00 5.02 -1.25 -1.36 118.16 118.23 1mjg n LYS 473 Ca 0.00 0.29 -0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1mjg n LYS 473 Cb 0.00 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 1mjg n LYS 473 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mjg h VAL 474 N 0.00 0.06 0.00 -0.18 2.07 -1.87 -2.52 116.25 113.80 1mjg h VAL 474 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1mjg h VAL 474 Cb 0.36 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1mjg h VAL 474 CO 0.00 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.90 1mjg n LYS 475 N -5.01 0.05 0.02 1.57 5.02 -1.16 -1.55 118.16 117.10 1mjg n LYS 475 Ca -0.05 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.48 1mjg n LYS 475 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1mjg n LYS 475 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1mjg h GLU 476 N 0.00 -0.08 0.00 1.97 4.81 -1.18 -3.34 114.58 116.76 1mjg h GLU 476 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mjg h GLU 476 Cb 0.19 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1mjg h GLU 476 CO 0.00 -0.05 -0.01 1.88 -0.73 0.00 0.00 179.01 180.10 1mjg h TYR 477 N -0.28 0.00 -1.36 0.92 -1.99 -1.43 -2.93 116.97 109.90 1mjg h TYR 477 Ca -0.01 0.00 0.39 0.00 2.00 0.00 0.00 58.73 61.12 1mjg h TYR 477 Cb 0.06 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.74 1mjg h TYR 477 CO 0.04 0.01 1.04 1.98 -0.00 0.00 0.00 178.16 181.23 1mjg h MET 478 N 0.00 0.00 0.08 4.88 1.85 -1.40 0.38 114.93 120.72 1mjg h MET 478 Ca -0.00 0.00 -0.37 0.00 -0.61 0.00 0.00 59.70 58.72 1mjg h MET 478 Cb 0.34 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 1mjg h MET 478 CO 0.00 0.00 -2.18 -1.91 -0.40 0.00 0.00 176.91 172.42 1mjg n GLU 479 N -3.96 0.72 -0.14 0.39 4.07 -1.10 -2.52 120.64 118.09 1mjg n GLU 479 Ca 0.30 0.22 0.23 0.00 -0.06 0.00 0.00 57.16 57.85 1mjg n GLU 479 Cb 1.47 -1.64 0.65 0.00 -0.06 0.00 0.00 31.44 31.87 1mjg n GLU 479 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1mjg h VAL 480 N 0.03 0.65 0.08 6.31 2.07 -0.52 0.25 116.25 125.13 1mjg h VAL 480 Ca -0.48 -0.04 -0.30 0.00 0.82 0.00 0.00 66.70 66.69 1mjg h VAL 480 Cb 1.98 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1mjg h VAL 480 CO 0.02 0.02 -1.58 0.00 0.02 0.00 0.00 177.57 176.05 1mjg h ALA 481 N 1.62 0.42 0.00 1.67 0.00 -0.75 -3.25 119.26 118.96 1mjg h ALA 481 Ca 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1mjg h ALA 481 Cb 1.33 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1mjg h ALA 481 CO -0.05 1.27 0.00 -0.09 0.00 0.00 0.00 179.25 180.38 1mjg h ARG 482 N 0.05 0.00 0.01 0.00 2.43 -0.28 -0.91 114.38 115.68 1mjg h ARG 482 Ca -0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1mjg h ARG 482 Cb 2.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1mjg h ARG 482 CO 0.13 0.00 -0.00 1.49 -1.51 0.00 0.00 179.97 180.08 1mjg h GLU 483 N 0.00 -0.01 -0.90 0.20 4.81 -1.22 -2.93 114.58 114.53 1mjg h GLU 483 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1mjg h GLU 483 Cb 0.17 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.45 1mjg h GLU 483 CO 0.00 0.76 0.49 0.87 -0.73 0.00 0.00 179.01 180.40 1mjg h LYS 484 N -0.98 0.64 -0.22 1.92 1.79 -1.42 -0.68 116.57 117.62 1mjg h LYS 484 Ca -0.00 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1mjg h LYS 484 Cb 0.77 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1mjg h LYS 484 CO 0.00 0.43 0.04 1.88 -1.08 0.00 0.00 179.45 180.72 1mjg h TYR 485 N 0.66 0.07 -0.39 -1.35 0.99 -1.26 -0.58 116.97 115.12 1mjg h TYR 485 Ca 0.50 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.23 1mjg h TYR 485 Cb 0.74 -0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.45 1mjg h TYR 485 CO -0.07 0.02 0.19 0.87 -0.00 0.00 0.00 178.16 179.18 1mjg h LYS 486 N 0.13 0.56 -0.38 4.88 1.57 -1.05 0.27 116.57 122.56 1mjg h LYS 486 Ca 0.10 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1mjg h LYS 486 Cb 0.10 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1mjg h LYS 486 CO -0.13 0.49 0.05 0.93 -0.57 0.00 0.00 179.45 180.21 1mjg h GLU 487 N 0.49 0.16 -0.25 3.15 5.08 -0.85 -0.93 114.58 121.43 1mjg h GLU 487 Ca 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1mjg h GLU 487 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1mjg h GLU 487 CO -0.02 0.11 0.07 0.00 -1.00 0.00 0.00 179.01 178.16 1mjg h ARG 488 N 0.16 0.40 -0.93 2.33 3.08 -0.86 -1.60 114.38 116.96 1mjg h ARG 488 Ca 0.19 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1mjg h ARG 488 Cb 0.24 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1mjg h ARG 488 CO -0.27 0.49 0.61 -0.44 -1.07 0.00 0.00 179.97 179.29 1mjg h ASP 489 N 0.24 0.93 -0.05 7.04 3.32 -0.58 -0.79 116.42 126.53 1mjg h ASP 489 Ca 0.08 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1mjg h ASP 489 Cb 0.27 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1mjg h ASP 489 CO -0.00 0.58 -0.01 0.44 -1.72 0.00 0.00 179.24 178.53 1mjg h ASP 490 N 1.04 0.09 -0.32 6.45 3.45 -0.96 -2.40 116.42 123.79 1mjg h ASP 490 Ca 0.41 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1mjg h ASP 490 Cb 0.24 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1mjg h ASP 490 CO -0.16 0.44 0.20 0.03 -1.57 0.00 0.00 179.24 178.18 1mjg h ARG 491 N -0.25 0.43 -0.51 3.56 3.08 -0.91 -2.46 114.38 117.32 1mjg h ARG 491 Ca 0.01 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1mjg h ARG 491 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1mjg h ARG 491 CO 0.00 0.30 -0.07 0.52 -1.07 0.00 0.00 179.97 179.66 1mjg h MET 492 N 0.45 0.94 -0.20 0.04 2.86 -1.01 -2.45 114.93 115.56 1mjg h MET 492 Ca 0.12 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1mjg h MET 492 Cb -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1mjg h MET 492 CO -0.02 1.00 0.03 0.00 1.06 0.00 0.00 176.91 178.97 1mjg h ARG 493 N 0.81 0.28 -0.01 1.72 3.08 -0.95 -0.62 114.38 118.68 1mjg h ARG 493 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1mjg h ARG 493 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1mjg h ARG 493 CO 0.04 0.28 -0.03 0.41 -1.07 0.00 0.00 179.97 179.60 1mjg n GLY 494 N -1.23 -0.45 3.29 0.04 0.00 -1.07 -4.62 105.19 101.15 1mjg n GLY 494 Ca -0.00 -0.35 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 1mjg n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mjg s LEU 495 N -2.10 6.40 0.41 0.99 2.96 -0.24 -4.84 118.68 122.26 1mjg s LEU 495 Ca 0.39 -2.42 0.04 0.00 -0.22 0.00 0.00 54.13 51.92 1mjg s LEU 495 Cb 0.21 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1mjg s LEU 495 CO 0.38 -0.64 0.05 0.42 -1.32 0.00 0.00 176.35 175.24 1mjg s THR 496 N 0.60 1.25 0.11 3.68 -4.23 -1.26 -4.89 115.64 110.90 1mjg s THR 496 Ca 0.13 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 1mjg s THR 496 Cb -0.17 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1mjg s THR 496 CO -0.05 0.00 1.60 0.44 -0.54 0.00 0.00 174.62 176.08 1mjg h ASP 497 N 1.76 0.49 -0.43 3.99 5.19 -1.95 1.50 116.42 126.96 1mjg h ASP 497 Ca -0.41 -0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 55.66 1mjg h ASP 497 Cb 1.27 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1mjg h ASP 497 CO 0.71 0.59 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.96 1mjg h GLU 498 N 0.36 0.86 0.00 3.56 3.07 -1.99 -2.82 114.58 117.62 1mjg h GLU 498 Ca 0.10 -0.34 -0.13 0.00 -0.50 0.00 0.00 59.36 58.48 1mjg h GLU 498 Cb 0.30 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1mjg h GLU 498 CO 0.00 0.98 -0.64 1.79 -1.40 0.00 0.00 179.01 179.74 1mjg h THR 499 N 0.69 1.31 -3.52 1.13 1.35 -1.85 -3.43 112.91 108.58 1mjg h THR 499 Ca 0.11 -2.31 -0.53 0.00 -0.55 0.00 0.00 66.41 63.13 1mjg h THR 499 Cb 0.68 2.30 -0.03 0.00 -1.73 0.00 0.00 68.15 69.37 1mjg h THR 499 CO 0.05 0.63 -0.05 0.54 -0.25 0.00 0.00 175.52 176.44 1mjg s VAL 500 N -3.31 4.84 -1.00 6.82 0.11 0.51 -4.85 120.40 123.53 1mjg s VAL 500 Ca 0.00 0.65 0.11 0.00 -2.93 0.00 0.00 61.98 59.82 1mjg s VAL 500 Cb 0.11 -3.63 0.33 0.00 -1.53 0.00 0.00 36.38 31.66 1mjg s VAL 500 CO 0.76 -0.08 1.27 -0.90 -3.33 0.00 0.00 175.10 172.82 1mjg n ASP 501 N -0.12 2.99 -3.79 3.54 5.75 -1.26 -4.75 116.55 118.91 1mjg n ASP 501 Ca 0.01 -2.00 -0.13 0.00 -0.01 0.00 0.00 54.79 52.67 1mjg n ASP 501 Cb 0.53 -0.25 -0.13 0.00 -1.03 0.00 0.00 41.12 40.24 1mjg n ASP 501 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1mjg s THR 502 N -1.00 -0.02 0.32 2.12 2.01 -1.26 -1.65 115.64 116.16 1mjg s THR 502 Ca 0.25 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1mjg s THR 502 Cb 0.13 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1mjg s THR 502 CO 0.17 0.03 0.14 -0.36 -0.69 0.00 0.00 174.62 173.90 1mjg s PHE 503 N 0.49 2.74 0.03 4.92 2.99 -0.18 -4.89 117.98 124.09 1mjg s PHE 503 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 56.93 56.62 1mjg s PHE 503 Cb -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 43.02 41.37 1mjg s PHE 503 CO -0.02 0.38 -0.18 0.71 -0.00 0.00 0.00 175.22 176.10 1mjg s TYR 504 N -2.39 1.58 0.52 0.36 1.51 -0.29 0.47 117.35 119.12 1mjg s TYR 504 Ca 0.37 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1mjg s TYR 504 Cb -0.04 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.92 1mjg s TYR 504 CO 0.23 0.06 0.71 -1.54 -1.11 0.00 0.00 175.55 173.89 1mjg s SER 505 N -1.03 5.25 -0.30 2.29 1.04 -0.78 0.11 113.70 120.28 1mjg s SER 505 Ca 0.05 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 1mjg s SER 505 Cb -0.08 0.00 0.13 0.00 0.10 0.00 0.00 66.02 66.17 1mjg s SER 505 CO 0.01 -1.15 0.69 0.00 0.98 0.00 0.00 173.24 173.77 1mjg n VAL 507 N 5.31 1.86 -0.35 0.00 0.24 -0.14 -2.11 118.33 123.13 1mjg n VAL 507 Ca -0.12 -2.68 0.01 0.00 -2.04 0.00 0.00 64.34 59.51 1mjg n VAL 507 Cb 0.50 -0.11 0.17 0.00 -1.47 0.00 0.00 33.84 32.93 1mjg n VAL 507 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1mjg h LEU 508 N 0.69 1.05 0.00 1.34 5.85 -1.92 -1.67 115.31 120.65 1mjg h LEU 508 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1mjg h LEU 508 Cb 1.09 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1mjg h LEU 508 CO 0.01 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 178.81 1mjg n GLN 510 N -1.21 0.06 0.23 0.00 6.02 -0.63 0.21 117.38 122.06 1mjg n GLN 510 Ca 0.12 0.43 0.09 0.00 -0.01 0.00 0.00 57.00 57.63 1mjg n GLN 510 Cb 0.15 -1.64 0.57 0.00 1.02 0.00 0.00 30.24 30.34 1mjg n GLN 510 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1mjg h SER 511 N 0.00 0.00 0.00 1.08 4.64 -1.78 -2.86 113.55 114.63 1mjg h SER 511 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mjg h SER 511 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1mjg h SER 511 CO 0.00 0.21 -1.03 0.49 -0.87 0.00 0.00 176.83 175.63 1mjg n PHE 512 N -3.84 0.00 -3.60 4.77 3.01 -0.18 -4.81 117.46 112.80 1mjg n PHE 512 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 1mjg n PHE 512 Cb 0.30 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.66 1mjg n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mjg n ALA 513 N -1.71 3.37 -0.21 4.37 0.00 0.13 -2.17 120.51 124.30 1mjg n ALA 513 Ca -0.00 -4.19 0.08 0.00 0.00 0.00 0.00 53.44 49.32 1mjg n ALA 513 Cb 0.21 -0.92 0.15 0.00 0.00 0.00 0.00 19.45 18.89 1mjg n ALA 513 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1mjg n PRO 514 N 1.77 -0.05 0.00 0.00 -0.02 -1.08 -1.39 135.00 134.23 1mjg n PRO 514 Ca 0.25 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.72 1mjg n PRO 514 Cb 0.41 -1.40 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1mjg n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mjg n ASN 515 N -4.79 1.87 -4.77 2.55 3.02 -1.26 -4.82 115.26 107.05 1mjg n ASN 515 Ca 0.13 -1.43 -0.38 0.00 -0.03 0.00 0.00 54.58 52.87 1mjg n ASN 515 Cb 0.42 0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 40.09 1mjg n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1mjg s HIS 516 N -2.38 2.95 -0.12 3.10 2.46 -0.49 -4.30 115.29 116.51 1mjg s HIS 516 Ca 0.16 1.53 -0.06 0.00 0.47 0.00 0.00 55.06 57.17 1mjg s HIS 516 Cb 0.17 -3.41 0.05 0.00 -0.13 0.00 0.00 32.58 29.26 1mjg s HIS 516 CO 0.55 -1.48 0.28 0.08 -2.47 0.00 0.00 174.74 171.71 1mjg s VAL 517 N -1.46 -0.11 0.01 0.89 1.01 -1.26 -4.62 120.40 114.86 1mjg s VAL 517 Ca 0.60 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 1mjg s VAL 517 Cb -0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1mjg s VAL 517 CO 0.38 0.07 0.16 0.00 0.00 0.00 0.00 175.10 175.70 1mjg s ILE 519 N -1.33 2.90 -0.25 0.00 -1.09 -1.26 -2.19 121.20 117.98 1mjg s ILE 519 Ca 0.28 -1.36 -0.11 0.00 -2.23 0.00 0.00 60.65 57.22 1mjg s ILE 519 Cb -0.13 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 1mjg s ILE 519 CO 0.19 -0.06 0.21 -0.69 -1.23 0.00 0.00 174.94 173.36 1mjg s VAL 520 N 1.25 5.32 0.29 2.92 1.01 0.31 -4.91 120.40 126.59 1mjg s VAL 520 Ca -0.05 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.30 1mjg s VAL 520 Cb -0.19 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1mjg s VAL 520 CO -0.02 0.30 -0.16 0.42 0.00 0.00 0.00 175.10 175.65 1mjg s THR 521 N 1.29 2.27 0.44 3.92 -4.23 -0.95 -1.14 115.64 117.24 1mjg s THR 521 Ca 0.09 -2.31 0.23 0.00 -1.18 0.00 0.00 61.69 58.52 1mjg s THR 521 Cb -0.14 -2.37 0.43 0.00 1.34 0.00 0.00 72.50 71.75 1mjg s THR 521 CO 0.07 -0.36 1.80 -0.65 -0.54 0.00 0.00 174.62 174.93 1mjg h PRO 522 N 2.24 0.28 -0.62 3.99 0.11 -1.90 -0.20 132.00 135.90 1mjg h PRO 522 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1mjg h PRO 522 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mjg h PRO 522 CO 0.63 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.00 1mjg n GLU 523 N -4.50 3.07 -3.39 1.05 1.02 -1.26 -4.80 120.64 111.83 1mjg n GLU 523 Ca 0.24 -2.64 -0.17 0.00 -0.02 0.00 0.00 57.16 54.58 1mjg n GLU 523 Cb 0.94 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.64 1mjg n GLU 523 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1mjg s ARG 524 N -1.33 0.37 0.82 3.49 3.52 -0.09 -4.61 118.95 121.13 1mjg s ARG 524 Ca 0.45 -0.25 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1mjg s ARG 524 Cb 0.26 -0.66 0.09 0.00 -1.56 0.00 0.00 34.95 33.07 1mjg s ARG 524 CO 0.27 -1.06 1.09 0.14 -0.81 0.00 0.00 175.30 174.93 1mjg s VAL 525 N 2.22 3.06 0.64 7.11 -7.23 -1.26 -2.25 120.40 122.70 1mjg s VAL 525 Ca 0.11 0.34 -0.18 0.00 -1.81 0.00 0.00 61.98 60.44 1mjg s VAL 525 Cb -0.14 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 1mjg s VAL 525 CO -0.28 -0.45 1.28 -0.83 -0.31 0.00 0.00 175.10 174.51 1mjg s GLY 526 N -3.45 2.83 0.48 2.32 0.00 0.52 -4.63 107.32 105.38 1mjg s GLY 526 Ca 0.62 1.18 0.32 0.00 0.00 0.00 0.00 44.72 46.84 1mjg s GLY 526 CO 0.56 1.60 1.98 0.17 0.00 0.00 0.00 173.10 177.42 1mjg h LEU 527 N 0.56 0.00 -0.22 0.66 8.10 -1.87 -0.19 115.31 122.34 1mjg h LEU 527 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.48 1mjg h LEU 527 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 1mjg h LEU 527 CO 0.53 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.86 1mjg n GLY 529 N 0.97 0.95 0.59 0.00 0.00 -0.08 -4.66 105.19 102.96 1mjg n GLY 529 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1mjg n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 530 N 1.00 2.45 -3.76 4.61 0.00 -1.26 -4.91 120.51 118.64 1mjg n ALA 530 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 1mjg n ALA 530 Cb 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1mjg n ALA 530 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mjg s VAL 531 N -1.16 0.68 0.50 0.00 1.01 -1.26 -5.04 120.40 115.13 1mjg s VAL 531 Ca 0.18 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1mjg s VAL 531 Cb 0.12 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1mjg s VAL 531 CO 0.18 -0.25 0.59 -0.94 0.00 0.00 0.00 175.10 174.68 1mjg s SER 532 N 1.78 5.18 0.21 3.32 1.04 -1.26 -0.36 113.70 123.60 1mjg s SER 532 Ca -0.00 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1mjg s SER 532 Cb -0.17 -0.12 0.28 0.00 0.10 0.00 0.00 66.02 66.11 1mjg s SER 532 CO -0.10 -1.01 1.74 -0.25 0.98 0.00 0.00 173.24 174.59 1mjg h TRP 533 N 0.56 0.35 -0.49 5.02 7.01 -1.88 0.06 115.95 126.58 1mjg h TRP 533 Ca -0.36 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.58 1mjg h TRP 533 Cb 1.28 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.26 1mjg h TRP 533 CO 0.52 0.07 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.12 1mjg h LEU 534 N 0.37 0.83 -0.25 0.65 3.38 -1.95 -0.04 115.31 118.31 1mjg h LEU 534 Ca 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1mjg h LEU 534 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1mjg h LEU 534 CO -0.32 0.93 0.11 0.44 0.09 0.00 0.00 178.44 179.68 1mjg h ASP 535 N 0.78 0.33 -0.47 -0.43 3.32 -1.70 -0.36 116.42 117.90 1mjg h ASP 535 Ca 0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1mjg h ASP 535 Cb 0.55 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1mjg h ASP 535 CO 0.03 0.39 0.28 0.00 -1.72 0.00 0.00 179.24 178.22 1mjg h ALA 536 N 0.96 0.61 -0.25 3.45 0.00 -0.81 0.06 119.26 123.26 1mjg h ALA 536 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1mjg h ALA 536 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mjg h ALA 536 CO -0.01 0.11 0.08 -0.22 0.00 0.00 0.00 179.25 179.21 1mjg h LYS 537 N 0.63 0.18 -0.18 0.00 3.64 -0.77 -0.34 116.57 119.73 1mjg h LYS 537 Ca 0.17 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1mjg h LYS 537 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1mjg h LYS 537 CO -0.03 0.12 0.04 0.00 -2.27 0.00 0.00 179.45 177.31 1mjg h ALA 538 N 1.16 0.19 -0.98 5.00 0.00 -0.73 -1.59 119.26 122.32 1mjg h ALA 538 Ca 0.11 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1mjg h ALA 538 Cb 0.09 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1mjg h ALA 538 CO -0.12 -0.39 0.59 1.03 0.00 0.00 0.00 179.25 180.35 1mjg h SER 539 N 0.12 0.80 -0.33 0.00 0.87 -0.47 -0.39 113.55 114.16 1mjg h SER 539 Ca 0.08 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1mjg h SER 539 Cb 0.07 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1mjg h SER 539 CO -0.10 0.36 0.04 0.22 -0.53 0.00 0.00 176.83 176.82 1mjg h TYR 540 N 0.84 0.59 -0.35 2.24 3.20 -0.22 -1.63 116.97 121.64 1mjg h TYR 540 Ca 0.52 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.27 1mjg h TYR 540 Cb 0.68 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1mjg h TYR 540 CO -0.02 0.64 0.08 0.93 -1.64 0.00 0.00 178.16 178.14 1mjg h GLU 541 N 0.38 0.52 -0.43 1.82 4.39 -0.36 -2.25 114.58 118.64 1mjg h GLU 541 Ca 0.10 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1mjg h GLU 541 Cb 0.37 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1mjg h GLU 541 CO 0.01 0.48 -0.29 0.82 -1.16 0.00 0.00 179.01 178.88 1mjg h ILE 542 N 0.51 1.27 -1.67 3.13 2.04 -0.84 -3.42 117.51 118.52 1mjg h ILE 542 Ca 0.12 -1.45 -0.16 0.00 1.00 0.00 0.00 64.86 64.37 1mjg h ILE 542 Cb 0.21 1.24 -0.28 0.00 -0.74 0.00 0.00 36.82 37.25 1mjg h ILE 542 CO -0.00 0.49 -0.51 0.21 0.00 0.00 0.00 178.15 178.35 1mjg s ASN 543 N -6.78 0.17 0.55 1.72 2.47 -0.64 -4.98 114.94 107.45 1mjg s ASN 543 Ca -0.11 -0.18 0.24 0.00 0.42 0.00 0.00 52.86 53.23 1mjg s ASN 543 Cb 0.12 1.20 1.44 0.00 -1.45 0.00 0.00 41.25 42.56 1mjg s ASN 543 CO 0.87 -0.34 2.07 0.45 -3.72 0.00 0.00 177.10 176.43 1mjg h HIS 544 N 8.15 0.00 -0.73 0.43 3.86 -1.68 0.17 115.15 125.35 1mjg h HIS 544 Ca -0.11 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.89 1mjg h HIS 544 Cb 1.13 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.48 1mjg h HIS 544 CO 0.23 0.00 0.26 0.00 0.86 0.00 0.00 177.93 179.29 1mjg n ALA 545 N -2.52 4.55 -1.23 2.45 0.00 -1.26 -4.90 120.51 117.59 1mjg n ALA 545 Ca 0.04 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1mjg n ALA 545 Cb 0.39 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1mjg n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 546 N -0.09 -0.77 0.00 0.00 0.00 0.61 -4.95 105.19 99.99 1mjg n GLY 546 Ca 0.40 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.79 1mjg n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mjg n PRO 547 N -1.00 0.32 -4.71 1.61 -0.04 -1.26 -4.66 135.00 125.26 1mjg n PRO 547 Ca 0.00 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 1mjg n PRO 547 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1mjg n PRO 547 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1mjg s ASN 548 N -2.49 2.48 0.01 3.54 -0.87 -1.26 -0.97 114.94 115.39 1mjg s ASN 548 Ca 0.20 -0.44 0.02 0.00 -1.57 0.00 0.00 52.86 51.06 1mjg s ASN 548 Cb 0.13 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.25 40.22 1mjg s ASN 548 CO 0.28 0.06 -0.06 -1.10 -2.57 0.00 0.00 177.10 173.71 1mjg s GLN 549 N 0.71 0.47 0.25 -0.60 -0.21 -1.23 -4.37 119.66 114.68 1mjg s GLN 549 Ca -0.12 -0.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.57 1mjg s GLN 549 Cb -0.16 -0.38 -0.10 0.00 1.00 0.00 0.00 33.01 33.37 1mjg s GLN 549 CO 0.03 0.10 1.42 -1.25 -2.12 0.00 0.00 175.29 173.47 1mjg s PRO 550 N -0.63 4.28 -0.27 2.91 0.04 -1.26 -1.87 135.00 138.21 1mjg s PRO 550 Ca -0.02 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.32 1mjg s PRO 550 Cb -0.05 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.44 1mjg s PRO 550 CO 0.00 -0.40 -0.06 0.42 0.04 0.00 0.00 177.00 177.00 1mjg s ILE 551 N -0.03 1.94 0.09 0.56 1.01 0.18 -4.94 121.20 120.00 1mjg s ILE 551 Ca 0.59 -1.61 -0.33 0.00 0.00 0.00 0.00 60.65 59.31 1mjg s ILE 551 Cb -0.41 -2.17 -0.12 0.00 0.01 0.00 0.00 42.46 39.77 1mjg s ILE 551 CO 0.43 -0.16 1.78 -2.65 0.00 0.00 0.00 174.94 174.34 1mjg n PRO 552 N 4.49 2.50 -2.37 2.79 -0.02 -1.26 -1.01 135.00 140.12 1mjg n PRO 552 Ca -0.10 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 61.92 1mjg n PRO 552 Cb 0.43 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1mjg n PRO 552 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1mjg s LYS 553 N 2.50 3.32 0.20 -0.52 2.20 -0.66 -4.64 119.74 122.13 1mjg s LYS 553 Ca 0.83 -1.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1mjg s LYS 553 Cb -0.58 -5.37 -0.05 0.00 -1.51 0.00 0.00 37.83 30.33 1mjg s LYS 553 CO 0.40 -2.87 0.03 -1.21 -0.36 0.00 0.00 175.35 171.34 1mjg s GLU 554 N 5.34 1.19 -1.03 4.03 2.02 -1.26 -4.87 118.70 124.12 1mjg s GLU 554 Ca 0.58 -1.60 -0.06 0.00 0.02 0.00 0.00 54.97 53.91 1mjg s GLU 554 Cb 0.01 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.01 1mjg s GLU 554 CO 0.05 -0.19 0.90 0.41 0.02 0.00 0.00 175.26 176.45 1mjg n GLY 555 N -0.30 -0.20 3.67 -1.39 0.00 -1.26 -2.77 105.19 102.94 1mjg n GLY 555 Ca -0.04 0.03 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 1mjg n GLY 555 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 556 N -3.91 1.87 -0.10 1.61 2.13 -1.26 -1.22 120.64 119.75 1mjg n GLU 556 Ca -0.02 0.68 -0.14 0.00 0.66 0.00 0.00 57.16 58.34 1mjg n GLU 556 Cb 0.56 -2.45 -0.11 0.00 0.27 0.00 0.00 31.44 29.70 1mjg n GLU 556 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1mjg n ILE 557 N 4.33 1.25 -3.25 6.31 5.41 0.94 -4.91 119.36 129.43 1mjg n ILE 557 Ca 0.21 -0.54 -0.03 0.00 1.00 0.00 0.00 62.75 63.39 1mjg n ILE 557 Cb 0.25 -1.11 -0.04 0.00 -0.71 0.00 0.00 39.64 38.02 1mjg n ILE 557 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1mjg s ASP 558 N -5.91 -0.53 0.30 4.38 -1.08 -1.00 -4.96 116.67 107.87 1mjg s ASP 558 Ca -0.25 0.42 0.26 0.00 -0.52 0.00 0.00 52.55 52.45 1mjg s ASP 558 Cb 0.07 1.60 1.02 0.00 -1.46 0.00 0.00 42.92 44.15 1mjg s ASP 558 CO 0.56 -0.29 1.76 1.55 0.52 0.00 0.00 175.17 179.27 1mjg h PRO 559 N 8.10 0.00 0.00 4.34 0.13 -1.93 0.77 132.00 143.40 1mjg h PRO 559 Ca -0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1mjg h PRO 559 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1mjg h PRO 559 CO 0.26 0.00 -0.75 0.82 -0.23 0.00 0.00 178.00 178.10 1mjg h ILE 560 N 0.00 1.09 0.00 -3.56 1.08 -1.97 -3.36 117.51 110.80 1mjg h ILE 560 Ca 0.00 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1mjg h ILE 560 Cb 0.44 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.54 1mjg h ILE 560 CO 0.00 0.37 0.00 0.11 -0.69 0.00 0.00 178.15 177.94 1mjg h LYS 561 N -1.00 0.00 -3.35 2.37 1.57 -1.90 -3.37 116.57 110.89 1mjg h LYS 561 Ca -0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1mjg h LYS 561 Cb 1.10 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.42 1mjg h LYS 561 CO -0.12 0.00 -0.07 0.41 -0.57 0.00 0.00 179.45 179.10 1mjg n GLY 562 N 1.15 0.15 3.11 3.86 0.00 0.09 -1.52 105.19 112.02 1mjg n GLY 562 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1mjg n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 563 N -3.03 1.69 -0.03 -0.61 1.01 -0.21 -1.29 121.20 118.73 1mjg s ILE 563 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1mjg s ILE 563 Cb -0.00 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1mjg s ILE 563 CO 0.11 0.48 -0.09 0.26 0.00 0.00 0.00 174.94 175.69 1mjg s TRP 564 N 0.80 1.02 0.23 3.97 0.51 -1.26 -0.04 118.94 124.17 1mjg s TRP 564 Ca -0.10 -0.27 -0.06 0.00 -2.12 0.00 0.00 56.10 53.55 1mjg s TRP 564 Cb -0.16 -0.73 0.22 0.00 -0.81 0.00 0.00 33.47 31.99 1mjg s TRP 564 CO 0.01 -0.12 1.83 -0.22 -0.51 0.00 0.00 176.95 177.93 1mjg h LYS 565 N 6.48 1.19 -0.45 4.98 3.64 -1.12 -0.97 116.57 130.32 1mjg h LYS 565 Ca -0.33 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1mjg h LYS 565 Cb 1.17 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1mjg h LYS 565 CO 0.48 0.92 0.19 0.66 -2.27 0.00 0.00 179.45 179.43 1mjg h SER 566 N 1.18 0.58 -0.21 4.20 4.64 -1.77 0.23 113.55 122.41 1mjg h SER 566 Ca 0.29 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 1mjg h SER 566 Cb 0.12 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1mjg h SER 566 CO -0.04 0.52 -0.53 0.58 -0.87 0.00 0.00 176.83 176.50 1mjg h VAL 567 N 0.64 1.31 -0.45 0.95 2.07 -1.64 -2.10 116.25 117.03 1mjg h VAL 567 Ca 0.16 -1.75 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 1mjg h VAL 567 Cb 0.12 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1mjg h VAL 567 CO -0.02 0.55 -0.03 0.78 0.02 0.00 0.00 177.57 178.87 1mjg h ASN 568 N 0.44 0.81 -0.78 0.57 2.35 -0.69 -0.03 115.58 118.25 1mjg h ASN 568 Ca -0.01 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1mjg h ASN 568 Cb 1.15 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.26 1mjg h ASN 568 CO 0.12 0.94 0.51 0.44 -1.65 0.00 0.00 177.43 177.79 1mjg h ASP 569 N 0.66 0.89 -0.00 5.81 3.32 -0.55 0.22 116.42 126.77 1mjg h ASP 569 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1mjg h ASP 569 Cb 0.54 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1mjg h ASP 569 CO 0.03 0.64 0.00 0.22 -1.72 0.00 0.00 179.24 178.41 1mjg h TYR 570 N 1.05 0.00 -0.69 4.55 3.20 -1.18 -3.09 116.97 120.81 1mjg h TYR 570 Ca 0.29 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.27 1mjg h TYR 570 Cb -0.12 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 1mjg h TYR 570 CO -0.02 0.26 0.28 1.25 -1.64 0.00 0.00 178.16 178.29 1mjg h LEU 571 N -0.26 0.28 0.02 2.82 6.46 -0.64 -0.65 115.31 123.35 1mjg h LEU 571 Ca 0.00 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1mjg h LEU 571 Cb 0.26 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 1mjg h LEU 571 CO 0.00 0.14 -0.26 0.22 -0.62 0.00 0.00 178.44 177.93 1mjg h TYR 572 N 0.46 -0.69 -0.14 1.25 3.20 -0.88 0.21 116.97 120.37 1mjg h TYR 572 Ca 0.36 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 1mjg h TYR 572 Cb 0.48 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1mjg h TYR 572 CO -0.16 -0.35 -0.14 1.15 -1.64 0.00 0.00 178.16 177.02 1mjg h THR 573 N -0.41 1.35 -0.40 1.81 2.02 -1.43 0.52 112.91 116.38 1mjg h THR 573 Ca 0.06 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 1mjg h THR 573 Cb 0.48 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1mjg h THR 573 CO -0.21 0.38 0.22 0.00 0.37 0.00 0.00 175.52 176.28 1mjg h ALA 574 N 0.60 1.65 -0.27 6.16 0.00 -1.05 -1.32 119.26 125.04 1mjg h ALA 574 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mjg h ALA 574 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mjg h ALA 574 CO 0.03 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1mjg n SER 575 N -4.44 1.46 -3.17 0.00 3.41 0.05 -4.85 113.62 106.08 1mjg n SER 575 Ca 0.03 -2.01 -0.20 0.00 -0.26 0.00 0.00 58.87 56.43 1mjg n SER 575 Cb 0.09 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 63.92 1mjg n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mjg n ASN 576 N 0.28 -5.07 -1.32 4.04 3.02 -0.50 -2.47 115.26 113.25 1mjg n ASN 576 Ca 0.09 -0.48 -0.16 0.00 -0.03 0.00 0.00 54.58 54.00 1mjg n ASN 576 Cb 0.23 -4.44 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 1mjg n ASN 576 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1mjg n ARG 577 N -4.27 -1.14 0.06 3.52 1.74 0.18 -4.88 116.66 111.87 1mjg n ARG 577 Ca -0.04 1.02 0.11 0.00 -0.77 0.00 0.00 57.85 58.17 1mjg n ARG 577 Cb 0.57 -5.23 0.03 0.00 -1.02 0.00 0.00 32.46 26.81 1mjg n ARG 577 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1mjg n ASN 578 N -0.65 0.66 -4.01 0.55 3.02 -1.03 -4.89 115.26 108.91 1mjg n ASN 578 Ca -0.16 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 1mjg n ASN 578 Cb 0.54 0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 40.21 1mjg n ASN 578 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mjg s LEU 579 N -4.56 1.96 -0.10 3.41 1.43 -1.26 -5.04 118.68 114.52 1mjg s LEU 579 Ca 0.02 -0.16 0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1mjg s LEU 579 Cb 0.12 -0.46 -0.19 0.00 0.03 0.00 0.00 46.19 45.69 1mjg s LEU 579 CO 0.79 0.09 0.14 -0.62 0.23 0.00 0.00 176.35 176.98 1mjg n GLU 580 N 2.98 1.34 -3.65 1.70 1.02 -1.26 -3.22 120.64 119.55 1mjg n GLU 580 Ca -0.15 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.84 1mjg n GLU 580 Cb 0.56 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 1mjg n GLU 580 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1mjg s GLN 581 N -2.55 1.03 -0.13 3.49 0.74 -1.26 -4.69 119.66 116.28 1mjg s GLN 581 Ca -0.06 -0.63 -0.09 0.00 0.05 0.00 0.00 55.36 54.63 1mjg s GLN 581 Cb 0.06 0.45 0.04 0.00 1.10 0.00 0.00 33.01 34.66 1mjg s GLN 581 CO 0.58 -0.39 0.33 0.54 -0.55 0.00 0.00 175.29 175.80 1mjg s VAL 582 N -3.47 -0.02 -0.36 1.34 0.11 -1.26 -4.87 120.40 111.87 1mjg s VAL 582 Ca 0.01 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1mjg s VAL 582 Cb 0.01 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1mjg s VAL 582 CO -0.10 0.03 0.20 0.00 -3.33 0.00 0.00 175.10 171.91 1mjg h LEU 584 N 8.44 0.00 -3.07 0.00 3.38 -1.02 -3.18 115.31 119.85 1mjg h LEU 584 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1mjg h LEU 584 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mjg h LEU 584 CO 0.66 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.97 1mjg n TYR 585 N -2.92 0.27 -4.23 1.13 0.53 -0.57 -4.83 117.16 106.53 1mjg n TYR 585 Ca 0.00 -0.95 -0.15 0.00 -1.02 0.00 0.00 57.90 55.78 1mjg n TYR 585 Cb 0.24 -0.19 -0.10 0.00 -1.03 0.00 0.00 39.34 38.25 1mjg n TYR 585 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1mjg s THR 586 N -2.79 1.16 -0.02 -0.72 2.01 -1.20 -2.31 115.64 111.77 1mjg s THR 586 Ca 0.34 -1.91 0.05 0.00 0.31 0.00 0.00 61.69 60.49 1mjg s THR 586 Cb 0.29 -1.68 -0.08 0.00 0.01 0.00 0.00 72.50 71.03 1mjg s THR 586 CO 0.05 -0.64 0.10 -0.11 -0.69 0.00 0.00 174.62 173.32 1mjg n LEU 587 N 0.11 0.00 0.12 4.42 7.94 -1.26 -4.54 117.00 123.78 1mjg n LEU 587 Ca -0.12 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.89 1mjg n LEU 587 Cb 0.59 0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.62 1mjg n LEU 587 CO 0.30 0.03 0.17 0.24 -1.11 0.00 0.00 177.39 177.03 1mjg h MET 588 N 0.00 0.00 -3.85 1.96 2.86 -1.95 0.20 114.93 114.15 1mjg h MET 588 Ca -0.04 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.20 1mjg h MET 588 Cb 0.54 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 31.85 1mjg h MET 588 CO 0.00 0.00 -0.77 -2.00 1.06 0.00 0.00 176.91 175.21 1mjg s GLU 589 N -3.32 0.65 -1.60 1.72 2.12 -1.26 -4.67 118.70 112.34 1mjg s GLU 589 Ca 0.01 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.31 1mjg s GLU 589 Cb 0.09 -0.81 0.04 0.00 0.26 0.00 0.00 34.13 33.71 1mjg s GLU 589 CO 0.77 -0.17 0.09 0.09 -0.54 0.00 0.00 175.26 175.50 1mjg n ASN 590 N 4.45 0.52 -4.71 -1.70 3.02 -1.26 -4.12 115.26 111.45 1mjg n ASN 590 Ca -0.19 -1.27 -0.31 0.00 -0.03 0.00 0.00 54.58 52.78 1mjg n ASN 590 Cb 0.50 -1.58 0.13 0.00 -0.61 0.00 0.00 39.78 38.22 1mjg n ASN 590 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mjg s PRO 591 N -7.35 1.61 0.49 3.52 0.04 -1.26 -0.80 135.00 131.25 1mjg s PRO 591 Ca 0.13 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 1mjg s PRO 591 Cb -0.08 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1mjg s PRO 591 CO 1.00 -2.17 1.30 1.41 0.04 0.00 0.00 177.00 178.58 1mjg s MET 592 N -4.63 3.48 0.79 4.56 1.75 -1.26 -4.77 119.30 119.22 1mjg s MET 592 Ca 0.66 2.11 -0.09 0.00 -1.25 0.00 0.00 55.69 57.12 1mjg s MET 592 Cb -0.22 -2.41 0.11 0.00 2.84 0.00 0.00 34.83 35.16 1mjg s MET 592 CO 0.55 -0.87 1.11 0.95 -0.65 0.00 0.00 175.02 176.11 1mjg s THR 593 N -1.36 2.15 0.10 10.11 -4.23 -1.26 -4.71 115.64 116.44 1mjg s THR 593 Ca 0.66 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1mjg s THR 593 Cb -0.37 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 1mjg s THR 593 CO 0.45 0.00 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.96 1mjg s SER 594 N -4.67 1.79 -0.01 3.99 0.01 -1.26 -4.86 113.70 108.69 1mjg s SER 594 Ca 0.65 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 1mjg s SER 594 Cb -0.08 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1mjg s SER 594 CO 0.47 -0.15 -0.01 0.00 0.41 0.00 0.00 173.24 173.96 1mjg n GLY 596 N 1.59 0.00 0.92 0.00 0.00 -1.26 -3.02 105.19 103.42 1mjg n GLY 596 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1mjg n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n PHE 598 N 1.02 1.49 0.05 0.00 1.16 -1.26 -4.45 117.46 115.46 1mjg n PHE 598 Ca 0.18 0.65 -0.14 0.00 -1.87 0.00 0.00 57.45 56.27 1mjg n PHE 598 Cb 0.49 -2.30 -0.04 0.00 -1.61 0.00 0.00 39.48 36.02 1mjg n PHE 598 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1mjg h GLU 599 N 2.55 0.49 -4.56 3.97 5.08 -1.08 -3.44 114.58 117.59 1mjg h GLU 599 Ca -0.41 -0.48 -0.23 0.00 -1.00 0.00 0.00 59.36 57.23 1mjg h GLU 599 Cb 1.33 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.55 1mjg h GLU 599 CO 0.64 1.12 -0.63 0.00 -1.00 0.00 0.00 179.01 179.15 1mjg s ALA 600 N -3.41 1.11 -0.02 3.43 0.00 -0.23 -1.82 121.76 120.82 1mjg s ALA 600 Ca -0.07 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.25 1mjg s ALA 600 Cb 0.09 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.47 1mjg s ALA 600 CO 0.87 -0.56 -0.03 0.42 0.00 0.00 0.00 175.76 176.46 1mjg s ILE 601 N -4.12 0.36 -0.10 0.00 1.01 -0.23 -1.19 121.20 116.93 1mjg s ILE 601 Ca 0.35 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1mjg s ILE 601 Cb 0.07 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 1mjg s ILE 601 CO 0.09 0.16 0.18 -0.04 0.00 0.00 0.00 174.94 175.33 1mjg s MET 602 N 0.57 3.54 -0.05 2.79 -1.94 0.18 -2.07 119.30 122.31 1mjg s MET 602 Ca -0.06 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 53.84 1mjg s MET 602 Cb -0.10 -3.20 0.04 0.00 2.01 0.00 0.00 34.83 33.58 1mjg s MET 602 CO -0.01 0.75 0.11 0.00 -0.01 0.00 0.00 175.02 175.87 1mjg s ALA 603 N -0.99 -0.15 0.47 3.03 0.00 -0.70 -1.86 121.76 121.56 1mjg s ALA 603 Ca 0.16 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1mjg s ALA 603 Cb -0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.50 1mjg s ALA 603 CO 0.05 -0.16 1.05 0.96 0.00 0.00 0.00 175.76 177.67 1mjg s ILE 604 N 1.19 3.70 -0.54 0.00 -5.25 -0.22 -0.55 121.20 119.54 1mjg s ILE 604 Ca -0.09 1.13 0.04 0.00 -0.99 0.00 0.00 60.65 60.74 1mjg s ILE 604 Cb -0.12 -3.50 0.15 0.00 2.95 0.00 0.00 42.46 41.95 1mjg s ILE 604 CO -0.05 -0.16 0.35 -0.76 -1.79 0.00 0.00 174.94 172.53 1mjg s LEU 605 N -3.26 3.38 0.24 0.37 1.43 0.45 -4.85 118.68 116.44 1mjg s LEU 605 Ca 0.65 -3.19 -0.09 0.00 -1.03 0.00 0.00 54.13 50.47 1mjg s LEU 605 Cb -0.19 -1.20 0.39 0.00 0.03 0.00 0.00 46.19 45.22 1mjg s LEU 605 CO 0.23 -0.18 1.62 -0.65 0.23 0.00 0.00 176.35 177.60 1mjg h PRO 606 N 6.03 0.05 0.00 1.29 0.11 -1.96 0.18 132.00 137.70 1mjg h PRO 606 Ca 0.09 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1mjg h PRO 606 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1mjg h PRO 606 CO 0.57 0.03 -0.01 1.49 -0.21 0.00 0.00 178.00 179.87 1mjg h GLU 607 N 0.05 0.00 -0.07 1.05 4.81 -1.94 -0.56 114.58 117.91 1mjg h GLU 607 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1mjg h GLU 607 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1mjg h GLU 607 CO -0.73 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 177.56 1mjg n ASN 609 N 1.00 -4.24 0.00 0.00 5.15 -0.22 -4.34 115.26 112.61 1mjg n ASN 609 Ca 0.11 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1mjg n ASN 609 Cb 0.45 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1mjg n ASN 609 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mjg n GLY 610 N -0.86 4.33 3.13 8.20 0.00 -1.13 -4.58 105.19 114.29 1mjg n GLY 610 Ca -0.16 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1mjg n GLY 610 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mjg s ILE 611 N -0.48 0.57 0.27 -0.61 -4.36 0.10 -0.41 121.20 116.28 1mjg s ILE 611 Ca 0.00 -1.75 0.11 0.00 -0.26 0.00 0.00 60.65 58.74 1mjg s ILE 611 Cb 0.00 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1mjg s ILE 611 CO 0.00 -0.81 -0.09 0.00 0.24 0.00 0.00 174.94 174.29 1mjg s MET 612 N -3.43 2.04 -0.01 0.37 0.23 0.29 -0.90 119.30 117.89 1mjg s MET 612 Ca 0.07 -1.56 0.01 0.00 -1.03 0.00 0.00 55.69 53.18 1mjg s MET 612 Cb 0.03 -2.00 0.01 0.00 -1.53 0.00 0.00 34.83 31.34 1mjg s MET 612 CO -0.05 0.35 -0.03 0.42 -2.03 0.00 0.00 175.02 173.68 1mjg s ILE 613 N -2.39 0.31 0.10 3.16 1.01 -0.25 -1.72 121.20 121.41 1mjg s ILE 613 Ca 0.31 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1mjg s ILE 613 Cb -0.06 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1mjg s ILE 613 CO 0.18 0.11 -0.07 0.28 0.00 0.00 0.00 174.94 175.44 1mjg s THR 614 N 0.25 0.72 0.34 2.92 -1.32 -0.88 -3.89 115.64 113.77 1mjg s THR 614 Ca -0.02 -1.83 0.10 0.00 -1.21 0.00 0.00 61.69 58.72 1mjg s THR 614 Cb -0.06 -1.56 -0.06 0.00 -1.51 0.00 0.00 72.50 69.32 1mjg s THR 614 CO -0.00 -0.79 -0.08 0.42 -2.21 0.00 0.00 174.62 171.95 1mjg s THR 615 N -3.29 2.36 0.53 5.08 -4.23 -1.26 -1.07 115.64 113.75 1mjg s THR 615 Ca 0.09 -2.18 0.18 0.00 -1.18 0.00 0.00 61.69 58.60 1mjg s THR 615 Cb 0.03 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.51 1mjg s THR 615 CO -0.04 -0.22 2.15 -0.09 -0.54 0.00 0.00 174.62 175.89 1mjg h ARG 616 N 2.00 0.00 0.00 3.99 2.43 -1.66 -1.42 114.38 119.73 1mjg h ARG 616 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1mjg h ARG 616 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1mjg h ARG 616 CO 0.69 0.00 -0.25 -0.25 -1.51 0.00 0.00 179.97 178.65 1mjg n ASP 617 N -4.46 0.64 -4.50 -3.80 8.00 -1.26 -4.71 116.55 106.46 1mjg n ASP 617 Ca -0.03 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.39 1mjg n ASP 617 Cb 0.11 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1mjg n ASP 617 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1mjg s HIS 618 N -3.10 3.01 -0.40 1.24 2.46 -0.54 -4.91 115.29 113.06 1mjg s HIS 618 Ca 0.10 -0.14 0.23 0.00 0.47 0.00 0.00 55.06 55.71 1mjg s HIS 618 Cb 0.14 -3.55 0.26 0.00 -0.13 0.00 0.00 32.58 29.30 1mjg s HIS 618 CO 0.64 -1.00 1.45 0.00 -2.47 0.00 0.00 174.74 173.36 1mjg h ALA 619 N 8.99 0.86 -2.35 1.58 0.00 -1.84 -3.38 119.26 123.11 1mjg h ALA 619 Ca -0.26 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 1mjg h ALA 619 Cb 1.09 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.05 1mjg h ALA 619 CO 0.95 0.00 0.28 0.20 0.00 0.00 0.00 179.25 180.68 1mjg s GLY 620 N -4.23 1.80 0.51 0.00 0.00 -1.26 -4.69 107.32 99.46 1mjg s GLY 620 Ca 0.05 0.54 -0.22 0.00 0.00 0.00 0.00 44.72 45.09 1mjg s GLY 620 CO 0.70 0.93 1.23 -0.29 0.00 0.00 0.00 173.10 175.68 1mjg s MET 621 N -4.59 3.40 0.29 2.90 1.75 -1.26 -4.40 119.30 117.39 1mjg s MET 621 Ca 0.66 1.92 0.11 0.00 -1.25 0.00 0.00 55.69 57.14 1mjg s MET 621 Cb -0.22 -2.26 -0.05 0.00 2.84 0.00 0.00 34.83 35.14 1mjg s MET 621 CO 0.55 -0.88 -0.15 0.95 -0.65 0.00 0.00 175.02 174.83 1mjg s THR 622 N -1.49 2.61 -0.95 10.11 -4.23 -1.13 -4.78 115.64 115.77 1mjg s THR 622 Ca 0.69 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1mjg s THR 622 Cb -0.32 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1mjg s THR 622 CO 0.38 -0.37 0.97 -0.81 -0.54 0.00 0.00 174.62 174.25 1mjg n PRO 623 N -0.69 0.00 0.00 3.99 -0.04 -0.52 -0.56 135.00 137.18 1mjg n PRO 623 Ca -0.05 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1mjg n PRO 623 Cb 0.60 -1.53 0.68 0.00 -0.04 0.00 0.00 33.50 33.21 1mjg n PRO 623 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mjg n SER 624 N -1.47 0.04 0.00 3.54 3.41 -1.26 -4.26 113.62 113.61 1mjg n SER 624 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1mjg n SER 624 Cb 0.03 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1mjg n SER 624 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjg n GLY 625 N 1.39 0.71 3.18 5.00 0.00 0.27 -5.05 105.19 110.69 1mjg n GLY 625 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1mjg n GLY 625 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mjg s MET 626 N -0.58 0.83 0.91 1.61 -1.94 -1.25 -4.89 119.30 114.00 1mjg s MET 626 Ca 0.00 -0.98 -0.13 0.00 -1.71 0.00 0.00 55.69 52.88 1mjg s MET 626 Cb 0.00 -0.83 0.18 0.00 2.01 0.00 0.00 34.83 36.19 1mjg s MET 626 CO 0.00 0.18 1.25 0.95 -0.01 0.00 0.00 175.02 177.39 1mjg s THR 627 N -1.34 2.03 0.14 2.05 -4.23 -1.26 -2.83 115.64 110.19 1mjg s THR 627 Ca -0.01 -0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 1mjg s THR 627 Cb -0.10 -2.90 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 1mjg s THR 627 CO 0.02 0.00 1.74 0.15 -0.54 0.00 0.00 174.62 175.99 1mjg h PHE 628 N -1.39 0.12 -0.40 3.99 3.57 -1.77 -1.52 116.94 119.53 1mjg h PHE 628 Ca -0.43 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.14 1mjg h PHE 628 Cb 1.24 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 1mjg h PHE 628 CO -0.92 0.03 0.12 0.77 -2.23 0.00 0.00 178.31 176.08 1mjg h SER 629 N 0.18 0.11 -0.53 0.41 0.02 -1.93 0.29 113.55 112.09 1mjg h SER 629 Ca 0.14 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1mjg h SER 629 Cb 0.13 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1mjg h SER 629 CO -0.17 0.09 0.16 0.74 -1.14 0.00 0.00 176.83 176.51 1mjg h THR 630 N 0.27 1.24 -0.55 -2.27 2.02 -1.83 -1.20 112.91 110.58 1mjg h THR 630 Ca 0.19 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1mjg h THR 630 Cb 0.19 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1mjg h THR 630 CO -0.21 0.30 0.30 -0.07 0.37 0.00 0.00 175.52 176.20 1mjg h LEU 631 N 0.74 0.69 -0.79 2.58 3.38 -0.80 -2.64 115.31 118.49 1mjg h LEU 631 Ca 0.17 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1mjg h LEU 631 Cb 0.30 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1mjg h LEU 631 CO -0.00 0.59 0.48 0.00 0.09 0.00 0.00 178.44 179.60 1mjg h ALA 632 N 1.13 1.07 0.00 1.53 0.00 -0.02 -0.87 119.26 122.10 1mjg h ALA 632 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1mjg h ALA 632 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1mjg h ALA 632 CO -0.03 0.20 -0.12 0.78 0.00 0.00 0.00 179.25 180.08 1mjg h GLY 633 N 0.87 0.00 1.49 0.00 0.00 -0.88 -2.04 103.07 102.51 1mjg h GLY 633 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.40 1mjg h GLY 633 CO -0.17 0.00 -1.35 1.98 0.00 0.00 0.00 176.54 177.00 1mjg h MET 634 N 0.00 0.17 0.00 4.80 -1.53 -0.92 -3.38 114.93 114.07 1mjg h MET 634 Ca -0.00 -0.29 0.00 0.00 -3.44 0.00 0.00 59.70 55.97 1mjg h MET 634 Cb 0.30 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 1mjg h MET 634 CO 0.02 1.05 -1.44 0.44 0.14 0.00 0.00 176.91 177.11 1mjg n ILE 635 N -3.40 0.01 -1.95 1.77 -5.35 -0.76 -4.99 119.36 104.69 1mjg n ILE 635 Ca -0.10 -0.23 -0.30 0.00 -0.27 0.00 0.00 62.75 61.85 1mjg n ILE 635 Cb 1.01 0.53 0.20 0.00 -1.74 0.00 0.00 39.64 39.64 1mjg n ILE 635 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1mjg s GLY 636 N -3.69 1.81 0.00 3.28 0.00 -0.78 -4.10 107.32 103.83 1mjg s GLY 636 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1mjg s GLY 636 CO 0.88 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1mjg n GLY 637 N -3.82 0.77 1.93 0.20 0.00 -1.16 -4.15 105.19 98.95 1mjg n GLY 637 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1mjg n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 638 N -2.13 0.41 3.67 -0.02 0.00 -0.62 -4.68 105.19 101.82 1mjg n GLY 638 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1mjg n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjg s THR 639 N -2.00 5.04 0.10 2.61 -4.23 -1.26 -4.89 115.64 111.01 1mjg s THR 639 Ca 0.00 0.06 -0.31 0.00 -1.18 0.00 0.00 61.69 60.26 1mjg s THR 639 Cb 0.00 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.47 1mjg s THR 639 CO 0.00 0.44 1.38 -1.10 -0.54 0.00 0.00 174.62 174.81 1mjg s GLN 640 N 0.45 4.32 -0.44 3.99 -0.21 -1.26 -4.72 119.66 121.79 1mjg s GLN 640 Ca 0.05 2.05 0.02 0.00 0.02 0.00 0.00 55.36 57.50 1mjg s GLN 640 Cb -0.12 -3.30 0.15 0.00 1.00 0.00 0.00 33.01 30.74 1mjg s GLN 640 CO -0.00 -0.45 0.28 0.95 -2.12 0.00 0.00 175.29 173.95 1mjg s THR 641 N 1.28 1.00 -0.08 -0.19 -4.23 -1.26 -5.06 115.64 107.10 1mjg s THR 641 Ca 0.64 -2.54 -0.38 0.00 -1.18 0.00 0.00 61.69 58.23 1mjg s THR 641 Cb -0.36 -1.70 -0.16 0.00 1.34 0.00 0.00 72.50 71.62 1mjg s THR 641 CO 0.30 -1.01 1.53 -2.65 -0.54 0.00 0.00 174.62 172.25 1mjg n PRO 642 N 3.36 1.17 -0.01 3.99 -0.02 -1.26 -1.14 135.00 141.09 1mjg n PRO 642 Ca 0.15 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1mjg n PRO 642 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1mjg n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 643 N 3.31 0.29 2.80 -1.23 0.00 0.71 -4.96 105.19 106.10 1mjg n GLY 643 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1mjg n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 644 N -2.09 0.04 -0.13 1.61 0.40 -0.29 -1.05 117.98 116.46 1mjg s PHE 644 Ca 0.00 0.09 -0.19 0.00 -0.60 0.00 0.00 56.93 56.22 1mjg s PHE 644 Cb 0.00 -0.18 0.05 0.00 0.51 0.00 0.00 43.02 43.40 1mjg s PHE 644 CO 0.00 -0.07 0.50 1.41 0.70 0.00 0.00 175.22 177.76 1mjg s MET 645 N 0.77 0.69 0.01 0.44 1.75 -0.78 -4.52 119.30 117.66 1mjg s MET 645 Ca -0.06 0.45 -0.16 0.00 -1.25 0.00 0.00 55.69 54.66 1mjg s MET 645 Cb -0.09 0.33 -0.06 0.00 2.84 0.00 0.00 34.83 37.84 1mjg s MET 645 CO -0.02 -0.14 0.45 0.20 -0.65 0.00 0.00 175.02 174.86 1mjg s GLY 646 N -0.30 2.52 0.25 2.11 0.00 -1.26 -0.64 107.32 109.99 1mjg s GLY 646 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1mjg s GLY 646 CO 0.03 0.26 0.45 -0.26 0.00 0.00 0.00 173.10 173.58 1mjg s ILE 647 N -0.96 0.00 0.11 0.90 -4.36 -0.33 -4.81 121.20 111.75 1mjg s ILE 647 Ca 0.25 -1.48 -0.15 0.00 -0.26 0.00 0.00 60.65 59.01 1mjg s ILE 647 Cb -0.17 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.20 1mjg s ILE 647 CO 0.14 0.00 0.53 -0.83 0.24 0.00 0.00 174.94 175.02 1mjg s GLY 648 N -3.05 2.50 0.51 6.27 0.00 -1.21 -1.06 107.32 111.28 1mjg s GLY 648 Ca 0.25 -0.12 0.23 0.00 0.00 0.00 0.00 44.72 45.07 1mjg s GLY 648 CO 0.10 0.20 1.98 3.21 0.00 0.00 0.00 173.10 178.59 1mjg h ARG 649 N 3.92 0.10 -0.81 2.90 3.08 -1.91 -1.98 114.38 119.68 1mjg h ARG 649 Ca -0.49 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.59 1mjg h ARG 649 Cb 1.20 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 1mjg h ARG 649 CO 0.65 0.07 0.53 1.15 -1.07 0.00 0.00 179.97 181.29 1mjg h THR 650 N 0.10 1.12 -0.30 2.04 2.02 -1.96 -2.22 112.91 113.72 1mjg h THR 650 Ca 0.28 -0.34 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1mjg h THR 650 Cb 0.97 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1mjg h THR 650 CO -0.03 0.18 0.22 0.22 0.37 0.00 0.00 175.52 176.49 1mjg h TYR 651 N 0.99 0.00 -0.70 3.16 3.20 -1.70 -2.09 116.97 119.82 1mjg h TYR 651 Ca 0.32 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.26 1mjg h TYR 651 Cb 0.05 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1mjg h TYR 651 CO -0.00 0.00 0.46 0.82 -1.64 0.00 0.00 178.16 177.80 1mjg h ILE 652 N 0.00 1.01 -0.60 1.81 2.04 -1.54 -1.48 117.51 118.75 1mjg h ILE 652 Ca 0.14 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1mjg h ILE 652 Cb 0.59 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1mjg h ILE 652 CO -0.00 0.13 0.07 1.33 0.00 0.00 0.00 178.15 179.68 1mjg n VAL 653 N -4.48 2.80 -3.37 1.67 0.24 -0.79 -4.85 118.33 109.55 1mjg n VAL 653 Ca 0.10 -1.50 -0.33 0.00 -2.04 0.00 0.00 64.34 60.57 1mjg n VAL 653 Cb 0.23 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 1mjg n VAL 653 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1mjg s SER 654 N -0.91 6.71 0.50 -1.34 0.15 -0.56 -4.96 113.70 113.29 1mjg s SER 654 Ca 0.54 1.01 0.23 0.00 0.70 0.00 0.00 55.95 58.43 1mjg s SER 654 Cb 0.42 -2.26 1.34 0.00 -1.71 0.00 0.00 66.02 63.81 1mjg s SER 654 CO 0.15 -0.02 2.06 0.11 1.20 0.00 0.00 173.24 176.75 1mjg h LYS 655 N 2.91 0.00 -0.32 5.44 1.57 -1.87 -2.13 116.57 122.17 1mjg h LYS 655 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1mjg h LYS 655 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1mjg h LYS 655 CO 0.68 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 181.32 1mjg n LYS 656 N -3.89 1.96 -1.51 3.15 4.76 -1.26 -4.71 118.16 116.66 1mjg n LYS 656 Ca -0.02 -1.47 -0.42 0.00 -2.87 0.00 0.00 58.31 53.53 1mjg n LYS 656 Cb 0.23 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1mjg n LYS 656 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mjg n PHE 657 N 0.68 1.30 -3.48 2.13 -0.00 -0.80 -2.34 117.46 114.95 1mjg n PHE 657 Ca 0.16 0.22 -0.21 0.00 -0.00 0.00 0.00 57.45 57.62 1mjg n PHE 657 Cb 0.38 -2.55 -0.05 0.00 -0.00 0.00 0.00 39.48 37.26 1mjg n PHE 657 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 1mjg n ILE 658 N 7.63 -0.39 -0.26 -2.13 -5.35 -1.26 -3.78 119.36 113.82 1mjg n ILE 658 Ca 0.45 -0.20 0.16 0.00 -0.27 0.00 0.00 62.75 62.90 1mjg n ILE 658 Cb 0.32 -0.49 0.45 0.00 -1.74 0.00 0.00 39.64 38.18 1mjg n ILE 658 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1mjg h SER 659 N -0.60 0.51 0.72 7.28 4.64 -1.47 0.12 113.55 124.75 1mjg h SER 659 Ca -0.38 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1mjg h SER 659 Cb 0.82 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1mjg h SER 659 CO 0.45 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1mjg n ALA 660 N -2.47 1.67 0.69 5.18 0.00 -0.98 -2.80 120.51 121.80 1mjg n ALA 660 Ca 0.19 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.77 1mjg n ALA 660 Cb 0.61 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.70 1mjg n ALA 660 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mjg n ASP 661 N -2.16 1.71 0.00 0.00 8.00 0.39 -4.97 116.55 119.52 1mjg n ASP 661 Ca 0.02 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1mjg n ASP 661 Cb 0.23 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1mjg n ASP 661 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mjg n GLY 662 N 1.09 1.23 7.00 0.44 0.00 -1.09 -4.93 105.19 108.92 1mjg n GLY 662 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1mjg n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 663 N 0.00 -1.12 0.21 -0.02 0.00 -1.01 -3.77 105.19 99.48 1mjg n GLY 663 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.94 1mjg n GLY 663 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1mjg h ILE 664 N 0.00 0.00 0.00 -0.61 3.07 -1.89 -1.82 117.51 116.26 1mjg h ILE 664 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1mjg h ILE 664 Cb 0.00 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.14 1mjg h ILE 664 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1mjg h ALA 665 N 1.91 1.00 0.00 0.16 0.00 -1.97 -2.20 119.26 118.16 1mjg h ALA 665 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 665 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mjg h ALA 665 CO 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.70 1mjg h ARG 666 N 0.00 0.00 -6.20 0.00 2.47 -1.53 -3.15 114.38 105.96 1mjg h ARG 666 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1mjg h ARG 666 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1mjg h ARG 666 CO 0.00 0.41 1.29 0.42 0.56 0.00 0.00 179.97 182.65 1mjg s ILE 667 N -2.99 3.26 -0.85 2.04 1.01 -0.83 -0.72 121.20 122.11 1mjg s ILE 667 Ca 0.03 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.05 1mjg s ILE 667 Cb 0.07 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1mjg s ILE 667 CO 0.75 -0.11 0.63 1.33 0.00 0.00 0.00 174.94 177.53 1mjg n VAL 668 N 6.66 0.00 -3.64 2.92 0.24 -0.08 -4.79 118.33 119.63 1mjg n VAL 668 Ca 0.23 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.34 61.99 1mjg n VAL 668 Cb 0.44 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 1mjg n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1mjg s TRP 669 N -1.03 -0.97 0.02 6.34 -0.00 -1.25 -1.62 118.94 120.42 1mjg s TRP 669 Ca 0.08 2.06 -0.16 0.00 -0.00 0.00 0.00 56.10 58.08 1mjg s TRP 669 Cb 0.07 0.52 0.03 0.00 -0.00 0.00 0.00 33.47 34.08 1mjg s TRP 669 CO 0.17 -0.48 0.35 -1.64 -0.00 0.00 0.00 176.95 175.35 1mjg s MET 670 N 1.23 0.80 0.42 5.86 -1.94 -0.77 -1.09 119.30 123.81 1mjg s MET 670 Ca -0.07 -0.33 -0.25 0.00 -1.71 0.00 0.00 55.69 53.34 1mjg s MET 670 Cb -0.05 0.35 -0.08 0.00 2.01 0.00 0.00 34.83 37.06 1mjg s MET 670 CO -0.13 -0.25 1.16 -2.14 -0.01 0.00 0.00 175.02 173.65 1mjg s PRO 671 N -2.07 3.98 0.38 2.03 0.02 -1.25 -4.17 135.00 133.92 1mjg s PRO 671 Ca -0.08 1.81 0.12 0.00 0.02 0.00 0.00 61.00 62.87 1mjg s PRO 671 Cb -0.02 -2.60 0.92 0.00 0.02 0.00 0.00 34.50 32.82 1mjg s PRO 671 CO 0.00 -0.38 1.88 -0.22 -0.33 0.00 0.00 177.00 177.95 1mjg h LYS 672 N 2.47 0.56 -0.55 5.54 3.64 -1.95 0.04 116.57 126.33 1mjg h LYS 672 Ca -0.49 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1mjg h LYS 672 Cb 1.24 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1mjg h LYS 672 CO 0.62 0.37 0.21 0.66 -2.27 0.00 0.00 179.45 179.04 1mjg h SER 673 N 0.58 0.72 0.16 4.20 4.64 -2.00 -2.13 113.55 119.72 1mjg h SER 673 Ca 0.43 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.51 1mjg h SER 673 Cb 0.83 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1mjg h SER 673 CO -0.18 0.65 -0.56 0.25 -0.87 0.00 0.00 176.83 176.12 1mjg h LEU 674 N 0.78 0.46 -0.05 5.97 5.85 -1.36 -2.21 115.31 124.75 1mjg h LEU 674 Ca 0.19 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1mjg h LEU 674 Cb 0.16 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1mjg h LEU 674 CO -0.02 0.93 0.03 0.11 -0.34 0.00 0.00 178.44 179.15 1mjg h LYS 675 N 0.32 0.07 -0.78 1.25 1.57 -0.91 -2.28 116.57 115.81 1mjg h LYS 675 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mjg h LYS 675 Cb 1.08 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1mjg h LYS 675 CO 0.10 0.15 0.49 -0.44 -0.57 0.00 0.00 179.45 179.17 1mjg h ASP 676 N -0.03 0.92 -0.46 0.86 3.32 -1.35 0.72 116.42 120.40 1mjg h ASP 676 Ca 0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1mjg h ASP 676 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1mjg h ASP 676 CO -0.00 0.69 0.17 0.15 -1.72 0.00 0.00 179.24 178.53 1mjg h PHE 677 N 1.07 0.76 -0.01 4.55 3.57 -1.07 -3.16 116.94 122.65 1mjg h PHE 677 Ca 0.28 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1mjg h PHE 677 Cb -0.07 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1mjg h PHE 677 CO 0.00 0.62 -0.21 1.28 -2.23 0.00 0.00 178.31 177.77 1mjg n LEU 678 N -4.32 1.47 0.00 0.59 4.77 -0.89 -4.88 117.00 113.74 1mjg n LEU 678 Ca 0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1mjg n LEU 678 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1mjg n LEU 678 CO 0.39 0.29 0.11 1.57 -1.33 0.00 0.00 177.39 178.41 1mjg n HIS 679 N -0.06 0.00 -0.16 -1.77 -0.00 0.25 0.04 115.22 113.52 1mjg n HIS 679 Ca 0.05 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.21 1mjg n HIS 679 Cb 0.27 -0.07 0.05 0.00 -0.12 0.00 0.00 29.99 30.11 1mjg n HIS 679 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1mjg h ASP 680 N 0.00 -0.32 0.73 0.26 3.32 -1.86 -0.07 116.42 118.48 1mjg h ASP 680 Ca 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1mjg h ASP 680 Cb 0.00 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1mjg h ASP 680 CO 0.00 -0.11 -0.54 -0.33 -1.72 0.00 0.00 179.24 176.54 1mjg h GLU 681 N 0.06 0.00 -0.19 3.56 5.08 -1.71 -2.84 114.58 118.55 1mjg h GLU 681 Ca 0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1mjg h GLU 681 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1mjg h GLU 681 CO -0.46 0.54 -0.27 0.35 -1.00 0.00 0.00 179.01 178.17 1mjg h PHE 682 N 0.00 0.65 -0.91 4.33 3.57 0.50 -2.10 116.94 122.98 1mjg h PHE 682 Ca -0.01 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.32 1mjg h PHE 682 Cb 1.05 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 1mjg h PHE 682 CO 0.00 0.92 0.59 0.28 -2.23 0.00 0.00 178.31 177.87 1mjg h VAL 683 N 0.19 1.13 -0.20 1.41 2.07 -1.01 0.33 116.25 120.18 1mjg h VAL 683 Ca 0.02 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1mjg h VAL 683 Cb 0.85 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1mjg h VAL 683 CO 0.06 0.21 0.09 0.03 0.02 0.00 0.00 177.57 177.98 1mjg h ARG 684 N 1.13 0.29 -0.17 1.57 3.08 -1.39 -1.54 114.38 117.35 1mjg h ARG 684 Ca 0.37 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 1mjg h ARG 684 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1mjg h ARG 684 CO -0.13 0.33 -0.11 0.77 -1.07 0.00 0.00 179.97 179.76 1mjg h SER 685 N 0.18 0.24 -0.47 7.04 0.02 -0.95 -0.64 113.55 118.97 1mjg h SER 685 Ca 0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1mjg h SER 685 Cb 0.15 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1mjg h SER 685 CO -0.01 0.38 0.25 0.28 -1.14 0.00 0.00 176.83 176.60 1mjg h SER 686 N 0.25 0.59 -0.21 3.07 0.02 -0.50 -1.10 113.55 115.67 1mjg h SER 686 Ca 0.05 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1mjg h SER 686 Cb 0.35 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1mjg h SER 686 CO 0.02 0.52 0.03 0.58 -1.14 0.00 0.00 176.83 176.84 1mjg h VAL 687 N 0.62 1.23 -0.04 2.27 2.07 -0.70 0.14 116.25 121.84 1mjg h VAL 687 Ca 0.17 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1mjg h VAL 687 Cb 0.06 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1mjg h VAL 687 CO -0.03 0.23 0.06 -0.33 0.02 0.00 0.00 177.57 177.53 1mjg h GLU 688 N 0.15 0.00 -0.07 1.57 5.08 -0.88 0.72 114.58 121.15 1mjg h GLU 688 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mjg h GLU 688 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1mjg h GLU 688 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1mjg n GLU 689 N -3.56 2.27 -2.92 2.33 -0.58 -0.44 -4.96 120.64 112.77 1mjg n GLU 689 Ca -0.02 -1.85 -0.15 0.00 -0.42 0.00 0.00 57.16 54.73 1mjg n GLU 689 Cb 0.15 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1mjg n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjg n GLY 690 N 1.34 -0.05 0.00 0.62 0.00 0.24 -4.91 105.19 102.43 1mjg n GLY 690 Ca 0.15 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1mjg n GLY 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mjg n LEU 691 N -2.95 0.62 0.00 0.99 4.77 0.44 -5.02 117.00 115.84 1mjg n LEU 691 Ca -0.04 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1mjg n LEU 691 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1mjg n LEU 691 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1mjg n GLY 692 N 1.42 1.06 0.27 -0.72 0.00 -1.22 -4.15 105.19 101.87 1mjg n GLY 692 Ca 0.02 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.50 1mjg n GLY 692 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mjg h GLU 693 N 0.00 0.00 -0.09 1.61 3.07 -1.88 -2.82 114.58 114.46 1mjg h GLU 693 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mjg h GLU 693 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1mjg h GLU 693 CO 0.00 0.01 0.00 -0.40 -1.40 0.00 0.00 179.01 177.22 1mjg n ASP 694 N -3.10 1.85 -0.34 1.42 5.75 -1.26 -4.34 116.55 116.53 1mjg n ASP 694 Ca 0.01 -1.66 0.11 0.00 -0.01 0.00 0.00 54.79 53.24 1mjg n ASP 694 Cb 0.32 -0.05 0.29 0.00 -1.03 0.00 0.00 41.12 40.64 1mjg n ASP 694 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1mjg h PHE 695 N 2.70 1.00 0.00 2.11 3.57 -1.65 0.13 116.94 124.80 1mjg h PHE 695 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mjg h PHE 695 Cb 0.58 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1mjg h PHE 695 CO 0.05 0.24 0.07 0.97 -2.23 0.00 0.00 178.31 177.41 1mjg h ILE 696 N 0.75 0.00 0.00 1.41 2.10 -1.84 0.13 117.51 120.06 1mjg h ILE 696 Ca 0.54 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.48 1mjg h ILE 696 Cb 0.79 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1mjg h ILE 696 CO -0.37 0.00 -0.89 0.47 -1.08 0.00 0.00 178.15 176.29 1mjg n ASP 697 N -2.47 0.67 0.18 2.19 8.00 0.45 -3.60 116.55 121.98 1mjg n ASP 697 Ca -0.02 0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1mjg n ASP 697 Cb 0.11 0.51 0.18 0.00 -0.02 0.00 0.00 41.12 41.90 1mjg n ASP 697 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mjg h LYS 698 N 0.00 0.00 -6.35 -1.24 1.57 -0.75 -3.44 116.57 106.36 1mjg h LYS 698 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1mjg h LYS 698 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1mjg h LYS 698 CO 0.00 0.00 0.58 0.42 -0.57 0.00 0.00 179.45 179.88 1mjg s ILE 699 N -3.22 4.46 0.79 1.86 1.01 -1.15 -4.72 121.20 120.23 1mjg s ILE 699 Ca 0.06 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.36 1mjg s ILE 699 Cb 0.07 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.47 1mjg s ILE 699 CO 0.68 0.05 1.10 0.00 0.00 0.00 0.00 174.94 176.77 1mjg s ALA 700 N 1.73 2.29 0.31 9.38 0.00 -0.64 -4.89 121.76 129.93 1mjg s ALA 700 Ca 0.54 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1mjg s ALA 700 Cb -0.23 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1mjg s ALA 700 CO 0.23 -1.69 0.58 -0.40 0.00 0.00 0.00 175.76 174.48 1mjg n ASP 701 N -3.41 -1.68 -0.34 0.00 5.68 -1.26 -1.84 116.55 113.70 1mjg n ASP 701 Ca 0.07 -2.31 0.22 0.00 -0.50 0.00 0.00 54.79 52.27 1mjg n ASP 701 Cb 0.56 2.83 0.46 0.00 -1.14 0.00 0.00 41.12 43.83 1mjg n ASP 701 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1mjg h GLU 702 N 0.00 0.41 0.00 0.11 4.11 -1.72 -0.18 114.58 117.31 1mjg h GLU 702 Ca -0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 1mjg h GLU 702 Cb 0.97 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1mjg h GLU 702 CO 0.33 0.27 -0.01 1.79 0.07 0.00 0.00 179.01 181.46 1mjg h THR 703 N 0.43 0.05 0.00 -1.06 1.35 -1.96 -3.19 112.91 108.52 1mjg h THR 703 Ca 0.68 -0.33 -0.22 0.00 -0.55 0.00 0.00 66.41 65.99 1mjg h THR 703 Cb 1.52 1.31 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 1mjg h THR 703 CO -0.49 0.01 -1.86 2.30 -0.25 0.00 0.00 175.52 175.23 1mjg n ILE 704 N -3.13 0.83 0.00 6.82 -5.35 -0.17 -5.09 119.36 113.26 1mjg n ILE 704 Ca -0.01 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1mjg n ILE 704 Cb 0.22 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 1mjg n ILE 704 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mjg n GLY 705 N 2.19 0.73 0.00 3.28 0.00 -0.66 -4.74 105.19 105.99 1mjg n GLY 705 Ca -0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1mjg n GLY 705 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mjg n THR 706 N -0.03 0.00 -4.40 2.61 -2.24 -1.26 -4.07 114.28 104.88 1mjg n THR 706 Ca 0.00 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1mjg n THR 706 Cb 0.00 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 1mjg n THR 706 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mjg s THR 707 N -0.20 1.15 0.15 4.28 -4.23 -1.26 -1.43 115.64 114.09 1mjg s THR 707 Ca 0.00 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1mjg s THR 707 Cb 0.00 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1mjg s THR 707 CO 0.00 -0.14 1.61 0.58 -0.54 0.00 0.00 174.62 176.13 1mjg h VAL 708 N 2.27 1.26 0.00 2.29 2.07 -1.93 -2.57 116.25 119.64 1mjg h VAL 708 Ca -0.40 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1mjg h VAL 708 Cb 1.24 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1mjg h VAL 708 CO 0.67 0.37 0.00 0.44 0.02 0.00 0.00 177.57 179.07 1mjg h ASP 709 N 0.75 0.00 0.69 0.57 3.32 -1.97 0.74 116.42 120.52 1mjg h ASP 709 Ca 0.15 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1mjg h ASP 709 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1mjg h ASP 709 CO 0.02 0.00 -1.41 -0.62 -1.72 0.00 0.00 179.24 175.52 1mjg n GLU 710 N -2.82 0.62 -0.01 3.56 1.02 -1.02 -4.44 120.64 117.56 1mjg n GLU 710 Ca -0.00 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1mjg n GLU 710 Cb 0.19 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 1mjg n GLU 710 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1mjg n ILE 711 N -2.81 0.00 0.11 -3.67 -5.35 -1.00 -4.57 119.36 102.07 1mjg n ILE 711 Ca -0.09 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 1mjg n ILE 711 Cb 0.78 0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 1mjg n ILE 711 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1mjg h LEU 712 N 0.00 -0.34 -1.74 7.28 5.85 -1.08 0.54 115.31 125.82 1mjg h LEU 712 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1mjg h LEU 712 Cb 0.59 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1mjg h LEU 712 CO 0.00 -0.20 0.28 1.55 -0.34 0.00 0.00 178.44 179.74 1mjg h PRO 713 N -0.28 0.31 -0.15 5.25 0.13 -1.82 0.93 132.00 136.37 1mjg h PRO 713 Ca 0.01 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1mjg h PRO 713 Cb 0.27 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 1mjg h PRO 713 CO -0.04 0.21 -0.04 -0.92 -0.23 0.00 0.00 178.00 176.98 1mjg h TYR 714 N 0.32 0.33 -0.71 1.56 3.20 -1.65 0.01 116.97 120.04 1mjg h TYR 714 Ca 0.18 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1mjg h TYR 714 Cb 0.32 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1mjg h TYR 714 CO -0.00 0.57 0.45 -0.07 -1.64 0.00 0.00 178.16 177.47 1mjg h LEU 715 N -0.01 0.77 -0.23 2.82 3.38 0.25 -0.76 115.31 121.52 1mjg h LEU 715 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1mjg h LEU 715 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1mjg h LEU 715 CO 0.01 0.54 0.08 -0.33 0.09 0.00 0.00 178.44 178.84 1mjg h GLU 716 N 0.91 0.34 -0.49 1.13 5.08 -0.75 -0.15 114.58 120.66 1mjg h GLU 716 Ca 0.27 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1mjg h GLU 716 Cb -0.04 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1mjg h GLU 716 CO -0.08 0.41 0.25 1.49 -1.00 0.00 0.00 179.01 180.07 1mjg h GLU 717 N 0.21 0.48 0.00 2.33 4.81 -0.60 -0.64 114.58 121.17 1mjg h GLU 717 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mjg h GLU 717 Cb 0.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1mjg h GLU 717 CO -0.00 0.32 0.00 1.63 -0.73 0.00 0.00 179.01 180.22 1mjg n LYS 718 N -4.88 0.80 -3.57 1.92 4.76 -0.33 -4.91 118.16 111.95 1mjg n LYS 718 Ca 0.04 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.28 1mjg n LYS 718 Cb 0.12 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.87 1mjg n LYS 718 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mjg n GLY 719 N 0.83 -0.46 3.71 0.72 0.00 -0.25 -4.88 105.19 104.86 1mjg n GLY 719 Ca 0.20 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1mjg n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mjg s HIS 720 N -3.54 2.91 0.25 1.61 2.46 -0.17 -4.91 115.29 113.91 1mjg s HIS 720 Ca 0.09 0.49 -0.03 0.00 0.47 0.00 0.00 55.06 56.07 1mjg s HIS 720 Cb -0.02 -4.00 0.48 0.00 -0.13 0.00 0.00 32.58 28.91 1mjg s HIS 720 CO 0.78 -3.78 1.73 -1.35 -2.47 0.00 0.00 174.74 169.66 1mjg h PRO 721 N 7.04 0.46 -1.00 2.88 0.11 -1.90 -2.11 132.00 137.48 1mjg h PRO 721 Ca -0.43 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.87 1mjg h PRO 721 Cb 1.20 -0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 1mjg h PRO 721 CO 0.93 0.30 0.61 0.00 -0.21 0.00 0.00 178.00 179.63 1mjg h ALA 722 N 1.55 1.78 -0.13 -0.75 0.00 -1.89 0.70 119.26 120.52 1mjg h ALA 722 Ca 0.43 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.47 1mjg h ALA 722 Cb 0.64 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1mjg h ALA 722 CO -0.40 -0.19 -0.09 -0.07 0.00 0.00 0.00 179.25 178.50 1mjg h LEU 723 N 0.66 -0.30 -0.03 0.00 3.38 -1.57 -3.07 115.31 114.38 1mjg h LEU 723 Ca 0.60 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.43 1mjg h LEU 723 Cb 1.08 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1mjg h LEU 723 CO -0.41 -0.13 -1.01 0.74 0.09 0.00 0.00 178.44 177.73 1mjg h THR 724 N -0.10 1.67 -2.66 0.22 2.02 -1.36 -3.47 112.91 109.23 1mjg h THR 724 Ca 0.08 -3.28 -0.59 0.00 0.77 0.00 0.00 66.41 63.39 1mjg h THR 724 Cb 0.22 2.81 0.17 0.00 -1.74 0.00 0.00 68.15 69.61 1mjg h THR 724 CO -0.20 0.94 -0.54 0.23 0.37 0.00 0.00 175.52 176.33 1mjg n MET 725 N -3.41 0.43 -1.61 6.66 2.81 0.13 -4.76 117.12 117.37 1mjg n MET 725 Ca -0.01 0.16 -0.51 0.00 -1.81 0.00 0.00 57.70 55.54 1mjg n MET 725 Cb 0.93 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.86 1mjg n MET 725 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mjg n ASP 726 N 1.03 1.98 -2.98 7.83 5.75 -1.26 -4.78 116.55 124.13 1mjg n ASP 726 Ca 0.11 1.11 -0.27 0.00 -0.01 0.00 0.00 54.79 55.73 1mjg n ASP 726 Cb 0.46 -1.25 0.01 0.00 -1.03 0.00 0.00 41.12 39.31 1mjg n ASP 726 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1mjg n PRO 727 N 2.71 0.00 -3.66 0.11 -0.02 -1.26 -4.92 135.00 127.96 1mjg n PRO 727 Ca 0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 1mjg n PRO 727 Cb 0.22 -0.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.91 1mjg n PRO 727 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1mjg s ILE 728 N -1.41 5.37 -1.39 4.25 2.07 -1.26 -5.17 121.20 123.66 1mjg s ILE 728 Ca 0.39 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.92 1mjg s ILE 728 Cb -0.34 -3.52 0.00 0.00 0.13 0.00 0.00 42.46 38.73 1mjg s ILE 728 CO 0.47 0.40 0.35 0.23 -1.91 0.00 0.00 174.94 174.48