#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njj h THR 21 N 0.00 0.20 0.00 -0.44 1.35 -1.98 0.12 112.91 112.16 1njj h THR 21 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1njj h THR 21 Cb 0.00 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1njj h THR 21 CO 0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 1njj n ARG 22 N -3.78 0.67 0.00 4.72 1.74 -1.26 -1.30 116.66 117.45 1njj n ARG 22 Ca 0.26 0.01 0.04 0.00 -0.77 0.00 0.00 57.85 57.39 1njj n ARG 22 Cb 1.37 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 31.33 1njj n ARG 22 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1njj n ASP 23 N -1.03 1.44 -0.00 0.55 5.75 0.03 -2.97 116.55 120.31 1njj n ASP 23 Ca 0.16 -1.22 0.07 0.00 -0.01 0.00 0.00 54.79 53.80 1njj n ASP 23 Cb 0.09 0.21 -0.11 0.00 -1.03 0.00 0.00 41.12 40.28 1njj n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1njj n ALA 24 N 0.14 2.95 0.03 2.12 0.00 -0.75 -3.13 120.51 121.87 1njj n ALA 24 Ca 0.04 -0.37 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 1njj n ALA 24 Cb 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 1njj n ALA 24 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1njj h LEU 25 N 0.00 0.34 -1.15 0.00 3.38 -1.35 -2.42 115.31 114.11 1njj h LEU 25 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1njj h LEU 25 Cb 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1njj h LEU 25 CO 0.00 1.51 0.00 0.00 0.09 0.00 0.00 178.44 180.04 1njj n LYS 27 N 0.38 0.00 -0.14 0.00 4.81 -1.18 -4.70 118.16 117.33 1njj n LYS 27 Ca 0.14 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.66 1njj n LYS 27 Cb 0.30 -0.71 0.40 0.00 0.02 0.00 0.00 35.03 35.05 1njj n LYS 27 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1njj h LYS 28 N 0.00 0.62 -5.71 1.64 3.64 -1.60 -3.33 116.57 111.84 1njj h LYS 28 Ca 0.00 -0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 59.01 1njj h LYS 28 Cb 0.90 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1njj h LYS 28 CO 0.00 0.41 0.89 0.42 -2.27 0.00 0.00 179.45 178.90 1njj s ILE 29 N -5.58 3.52 0.00 2.00 1.01 -1.25 -5.11 121.20 115.80 1njj s ILE 29 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1njj s ILE 29 Cb 0.19 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1njj s ILE 29 CO 0.76 -1.06 0.00 -1.54 0.00 0.00 0.00 174.94 173.10 1njj n SER 30 N 13.51 0.00 -2.69 3.58 3.41 -1.25 -4.99 113.62 125.19 1njj n SER 30 Ca 0.41 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 1njj n SER 30 Cb 0.47 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1njj n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1njj n GLY 37 N 0.00 2.04 3.78 5.00 0.00 -1.26 -5.15 105.19 109.59 1njj n GLY 37 Ca 0.00 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1njj n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1njj s ASP 38 N -3.40 6.62 0.65 1.61 1.01 -1.26 -4.44 116.67 117.45 1njj s ASP 38 Ca 0.29 2.14 -0.17 0.00 0.71 0.00 0.00 52.55 55.52 1njj s ASP 38 Cb 0.41 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1njj s ASP 38 CO -0.00 -0.60 1.22 -2.16 0.21 0.00 0.00 175.17 173.84 1njj s PRO 39 N -2.48 2.64 0.05 8.23 0.04 -1.26 -4.88 135.00 137.34 1njj s PRO 39 Ca 0.58 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 1njj s PRO 39 Cb -0.25 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1njj s PRO 39 CO 0.31 -1.47 0.23 -0.59 0.04 0.00 0.00 177.00 175.52 1njj s PHE 40 N -1.70 0.02 -0.10 0.56 -0.12 -0.56 -3.87 117.98 112.21 1njj s PHE 40 Ca 0.77 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 57.36 1njj s PHE 40 Cb -0.31 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 1njj s PHE 40 CO 0.38 -0.47 0.06 -0.06 -0.05 0.00 0.00 175.22 175.08 1njj s PHE 41 N -2.77 3.35 -0.25 3.49 2.99 -0.04 -0.81 117.98 123.94 1njj s PHE 41 Ca -0.03 0.34 0.01 0.00 0.00 0.00 0.00 56.93 57.25 1njj s PHE 41 Cb -0.00 -1.86 0.05 0.00 0.00 0.00 0.00 43.02 41.21 1njj s PHE 41 CO -0.05 0.58 -0.10 0.08 -0.00 0.00 0.00 175.22 175.73 1njj s VAL 42 N -0.94 2.38 -0.24 -0.44 1.01 -0.13 0.12 120.40 122.17 1njj s VAL 42 Ca 0.14 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1njj s VAL 42 Cb -0.12 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1njj s VAL 42 CO 0.03 0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.29 1njj s ALA 43 N 1.19 3.21 -0.88 5.51 0.00 0.34 -1.66 121.76 129.47 1njj s ALA 43 Ca -0.05 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 1njj s ALA 43 Cb -0.18 -2.08 0.17 0.00 0.00 0.00 0.00 23.12 21.02 1njj s ALA 43 CO -0.06 -0.41 0.98 0.34 0.00 0.00 0.00 175.76 176.61 1njj s ASP 44 N 1.47 6.67 0.36 0.00 2.15 0.34 -0.42 116.67 127.23 1njj s ASP 44 Ca 0.06 -2.29 0.10 0.00 0.43 0.00 0.00 52.55 50.85 1njj s ASP 44 Cb -0.15 -2.32 0.85 0.00 -0.30 0.00 0.00 42.92 41.00 1njj s ASP 44 CO 0.04 -0.87 1.84 -0.07 -0.17 0.00 0.00 175.17 175.94 1njj h LEU 45 N 9.36 0.64 -2.02 -1.34 3.38 -1.23 0.08 115.31 124.18 1njj h LEU 45 Ca 0.13 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1njj h LEU 45 Cb 1.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1njj h LEU 45 CO 0.97 0.29 0.20 1.23 0.09 0.00 0.00 178.44 181.22 1njj h GLY 46 N 0.66 0.00 2.00 0.83 0.00 -1.90 0.20 103.07 104.85 1njj h GLY 46 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1njj h GLY 46 CO -0.24 0.00 -0.04 -1.80 0.00 0.00 0.00 176.54 174.46 1njj h ASP 47 N 0.00 0.00 0.03 0.19 3.58 -1.34 -1.70 116.42 117.19 1njj h ASP 47 Ca 0.13 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1njj h ASP 47 Cb 0.53 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.58 1njj h ASP 47 CO -0.00 0.04 -0.21 0.40 -2.88 0.00 0.00 179.24 176.59 1njj h ILE 48 N 0.00 1.71 -0.74 2.25 2.04 -0.69 -2.37 117.51 119.71 1njj h ILE 48 Ca -0.00 -2.34 0.14 0.00 1.00 0.00 0.00 64.86 63.66 1njj h ILE 48 Cb 0.45 3.29 -0.05 0.00 -0.74 0.00 0.00 36.82 39.77 1njj h ILE 48 CO 0.01 0.62 0.49 0.58 0.00 0.00 0.00 178.15 179.86 1njj h VAL 49 N -0.80 0.82 -0.04 1.67 2.07 -1.15 0.13 116.25 118.94 1njj h VAL 49 Ca -0.04 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 1njj h VAL 49 Cb 1.14 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1njj h VAL 49 CO 0.04 0.08 -0.81 0.03 0.02 0.00 0.00 177.57 176.93 1njj h ARG 50 N 0.44 0.36 -0.63 1.57 3.08 -1.34 -2.72 114.38 115.12 1njj h ARG 50 Ca 0.36 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1njj h ARG 50 Cb 0.79 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1njj h ARG 50 CO -0.12 0.99 0.20 0.87 -1.07 0.00 0.00 179.97 180.84 1njj h LYS 51 N 0.23 0.96 0.34 0.04 1.79 -0.23 -2.56 116.57 117.13 1njj h LYS 51 Ca -0.04 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1njj h LYS 51 Cb 1.40 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1njj h LYS 51 CO 0.14 0.82 -0.16 1.25 -1.08 0.00 0.00 179.45 180.42 1njj h HIS 52 N 0.93 -0.42 -0.96 -1.35 2.76 -1.13 -2.25 115.15 112.74 1njj h HIS 52 Ca 0.21 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.57 1njj h HIS 52 Cb 0.26 0.14 -0.11 0.00 1.55 0.00 0.00 27.41 29.25 1njj h HIS 52 CO 0.02 -0.12 0.54 0.93 -1.30 0.00 0.00 177.93 177.99 1njj h GLU 53 N -0.70 0.61 0.00 5.26 4.39 -1.41 0.60 114.58 123.34 1njj h GLU 53 Ca -0.05 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1njj h GLU 53 Cb 0.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1njj h GLU 53 CO 0.08 0.41 -0.27 1.15 -1.16 0.00 0.00 179.01 179.21 1njj h THR 54 N 0.63 0.83 0.09 1.13 2.02 -1.34 -2.35 112.91 113.94 1njj h THR 54 Ca 0.57 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1njj h THR 54 Cb 0.96 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1njj h THR 54 CO -0.43 0.26 -0.05 -0.25 0.37 0.00 0.00 175.52 175.43 1njj h TRP 55 N 0.00 -0.12 -0.07 3.16 2.91 0.71 -1.58 115.95 120.97 1njj h TRP 55 Ca -0.00 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.04 1njj h TRP 55 Cb 0.62 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.31 1njj h TRP 55 CO 0.00 0.32 0.33 0.87 -1.03 0.00 0.00 178.44 178.93 1njj h LYS 56 N -0.95 0.00 0.02 2.65 1.57 -0.88 0.26 116.57 119.24 1njj h LYS 56 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1njj h LYS 56 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1njj h LYS 56 CO 0.02 0.00 -1.36 -0.22 -0.57 0.00 0.00 179.45 177.32 1njj h LYS 57 N 0.00 0.04 0.00 3.15 1.63 -1.42 -3.24 116.57 116.74 1njj h LYS 57 Ca 0.04 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1njj h LYS 57 Cb 0.69 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1njj h LYS 57 CO -0.00 1.04 -0.10 0.00 -3.45 0.00 0.00 179.45 176.93 1njj n LEU 59 N -2.82 -0.31 0.12 0.00 4.77 0.85 -4.73 117.00 114.87 1njj n LEU 59 Ca 0.04 -4.47 0.04 0.00 -0.03 0.00 0.00 56.01 51.59 1njj n LEU 59 Cb 0.50 0.68 0.47 0.00 -2.33 0.00 0.00 43.42 42.74 1njj n LEU 59 CO 0.34 2.06 1.03 1.55 -1.33 0.00 0.00 177.39 181.04 1njj h PRO 60 N 3.97 0.28 0.00 3.23 0.13 -1.70 -2.81 132.00 135.09 1njj h PRO 60 Ca 0.04 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1njj h PRO 60 Cb 0.91 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1njj h PRO 60 CO 0.44 0.27 -0.11 0.00 -0.23 0.00 0.00 178.00 178.37 1njj h ARG 61 N 0.28 0.00 -4.95 0.86 3.08 -1.94 -3.45 114.38 108.26 1njj h ARG 61 Ca 0.07 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.48 1njj h ARG 61 Cb 0.13 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.02 1njj h ARG 61 CO -0.00 0.00 -0.50 0.08 -1.07 0.00 0.00 179.97 178.47 1njj s VAL 62 N -3.15 5.31 -0.10 2.04 1.01 -1.06 -4.33 120.40 120.12 1njj s VAL 62 Ca 0.09 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 1njj s VAL 62 Cb 0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1njj s VAL 62 CO 0.64 0.27 0.67 -0.89 0.00 0.00 0.00 175.10 175.78 1njj s THR 63 N 1.62 5.05 0.02 3.92 2.01 -0.19 -4.89 115.64 123.19 1njj s THR 63 Ca 0.07 1.35 -0.25 0.00 0.31 0.00 0.00 61.69 63.17 1njj s THR 63 Cb -0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1njj s THR 63 CO 0.10 0.22 0.78 -2.16 -0.69 0.00 0.00 174.62 172.87 1njj s PRO 64 N 1.04 4.50 -0.31 4.92 0.04 -1.26 -1.33 135.00 142.60 1njj s PRO 64 Ca 0.35 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1njj s PRO 64 Cb -0.17 -3.39 0.08 0.00 0.04 0.00 0.00 34.50 31.06 1njj s PRO 64 CO 0.15 0.20 -0.01 -0.06 0.04 0.00 0.00 177.00 177.32 1njj s PHE 65 N 0.23 3.50 -0.03 0.56 0.40 0.62 0.04 117.98 123.29 1njj s PHE 65 Ca 0.40 -2.58 -0.30 0.00 -0.60 0.00 0.00 56.93 53.85 1njj s PHE 65 Cb -0.20 -2.45 -0.07 0.00 0.51 0.00 0.00 43.02 40.81 1njj s PHE 65 CO 0.23 -0.91 1.84 -0.47 0.70 0.00 0.00 175.22 176.61 1njj s TYR 66 N 1.03 1.60 -0.96 0.36 5.04 0.37 -2.98 117.35 121.81 1njj s TYR 66 Ca 0.01 -0.08 -0.24 0.00 -2.44 0.00 0.00 57.07 54.32 1njj s TYR 66 Cb -0.20 -4.08 -0.07 0.00 0.35 0.00 0.00 41.96 37.96 1njj s TYR 66 CO -0.06 -4.64 1.99 0.00 -1.34 0.00 0.00 175.55 171.50 1njj s ALA 67 N 4.60 1.58 0.51 3.97 0.00 -0.40 0.12 121.76 132.13 1njj s ALA 67 Ca 0.82 -1.59 0.38 0.00 0.00 0.00 0.00 51.96 51.57 1njj s ALA 67 Cb -0.37 -4.59 1.54 0.00 0.00 0.00 0.00 23.12 19.70 1njj s ALA 67 CO 0.36 -5.06 1.67 0.28 0.00 0.00 0.00 175.76 173.01 1njj h VAL 68 N 7.04 0.20 -0.31 0.00 2.07 -1.82 -0.28 116.25 123.15 1njj h VAL 68 Ca 0.11 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1njj h VAL 68 Cb 0.99 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1njj h VAL 68 CO 1.19 0.01 0.25 0.07 0.02 0.00 0.00 177.57 179.11 1njj h LYS 69 N 0.06 0.00 -0.54 1.57 2.10 -1.87 -2.63 116.57 115.25 1njj h LYS 69 Ca 0.77 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.35 1njj h LYS 69 Cb 2.81 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 34.11 1njj h LYS 69 CO -0.15 0.00 0.07 0.00 -2.00 0.00 0.00 179.45 177.37 1njj s ASN 71 N -6.59 -0.53 -0.39 0.00 3.04 -1.00 0.06 114.94 109.53 1njj s ASN 71 Ca -0.10 0.38 0.06 0.00 0.04 0.00 0.00 52.86 53.24 1njj s ASN 71 Cb 0.15 1.46 0.70 0.00 -1.54 0.00 0.00 41.25 42.02 1njj s ASN 71 CO 0.82 -0.10 1.86 -0.90 -3.04 0.00 0.00 177.10 175.74 1njj n ASP 72 N 5.40 4.21 -4.77 -4.21 3.85 -1.18 -4.82 116.55 115.02 1njj n ASP 72 Ca -0.07 -3.42 -0.41 0.00 -0.71 0.00 0.00 54.79 50.18 1njj n ASP 72 Cb 0.53 -0.80 -0.01 0.00 -1.35 0.00 0.00 41.12 39.50 1njj n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1njj s ASP 73 N -1.14 6.48 0.17 -1.12 -1.08 -1.26 -4.85 116.67 113.86 1njj s ASP 73 Ca 0.55 2.92 -0.15 0.00 -0.52 0.00 0.00 52.55 55.36 1njj s ASP 73 Cb 0.46 -2.66 0.13 0.00 -1.46 0.00 0.00 42.92 39.39 1njj s ASP 73 CO 0.12 -0.78 1.72 -0.25 0.52 0.00 0.00 175.17 176.50 1njj h TRP 74 N 3.41 0.11 -0.13 -5.34 2.91 -1.99 -0.44 115.95 114.48 1njj h TRP 74 Ca -0.50 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.45 1njj h TRP 74 Cb 1.23 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 1njj h TRP 74 CO 0.55 -0.01 -0.38 0.00 -1.03 0.00 0.00 178.44 177.57 1njj h ARG 75 N 0.20 0.28 -0.37 2.65 -0.00 -1.98 -0.05 114.38 115.11 1njj h ARG 75 Ca 0.21 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.98 59.52 1njj h ARG 75 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 1njj h ARG 75 CO -0.29 0.62 0.05 0.28 0.00 0.00 0.00 179.97 180.63 1njj h VAL 76 N 0.24 1.24 -0.14 2.04 2.07 -1.72 0.13 116.25 120.10 1njj h VAL 76 Ca 0.02 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1njj h VAL 76 Cb 0.78 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1njj h VAL 76 CO 0.06 0.29 -0.05 -0.07 0.02 0.00 0.00 177.57 177.82 1njj h LEU 77 N 0.45 0.28 -0.91 2.57 3.38 -0.88 -1.74 115.31 118.45 1njj h LEU 77 Ca 0.11 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1njj h LEU 77 Cb 0.37 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1njj h LEU 77 CO 0.01 0.61 0.60 1.23 0.09 0.00 0.00 178.44 180.99 1njj h GLY 78 N -0.05 1.29 0.93 0.83 0.00 -0.94 0.23 103.07 105.36 1njj h GLY 78 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1njj h GLY 78 CO 0.02 0.45 0.13 -0.84 0.00 0.00 0.00 176.54 176.30 1njj h THR 79 N 1.22 1.14 -0.47 4.70 2.02 -0.69 -0.63 112.91 120.20 1njj h THR 79 Ca 0.34 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1njj h THR 79 Cb -0.12 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1njj h THR 79 CO -0.08 0.14 -0.01 -0.07 0.37 0.00 0.00 175.52 175.87 1njj h LEU 80 N 0.28 0.75 0.48 2.58 3.38 -0.87 -2.04 115.31 119.88 1njj h LEU 80 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1njj h LEU 80 Cb 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1njj h LEU 80 CO -0.01 0.83 -0.24 0.00 0.09 0.00 0.00 178.44 179.10 1njj h ALA 81 N 1.26 -0.66 -0.64 1.53 0.00 -0.14 -2.04 119.26 118.57 1njj h ALA 81 Ca 0.14 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1njj h ALA 81 Cb 0.46 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1njj h ALA 81 CO 0.02 -0.87 0.43 0.00 0.00 0.00 0.00 179.25 178.83 1njj h ALA 82 N -0.14 2.08 0.00 0.00 0.00 -0.98 0.31 119.26 120.54 1njj h ALA 82 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1njj h ALA 82 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1njj h ALA 82 CO 0.10 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1njj n LEU 83 N -4.47 0.00 -1.22 0.00 4.77 -0.78 -4.84 117.00 110.46 1njj n LEU 83 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1njj n LEU 83 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1njj n LEU 83 CO 0.34 0.00 -0.06 0.61 -1.33 0.00 0.00 177.39 176.95 1njj n GLY 84 N 0.30 0.09 3.96 -0.72 0.00 0.11 -5.04 105.19 103.89 1njj n GLY 84 Ca 0.08 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1njj n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1njj s THR 85 N -2.62 4.04 0.32 2.61 -1.32 -0.81 -4.98 115.64 112.87 1njj s THR 85 Ca 0.06 -0.57 0.07 0.00 -1.21 0.00 0.00 61.69 60.04 1njj s THR 85 Cb -0.03 -3.48 -0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1njj s THR 85 CO 0.08 -0.31 0.36 -0.83 -2.21 0.00 0.00 174.62 171.71 1njj s GLY 86 N -4.21 1.62 -0.10 6.08 0.00 0.11 -4.70 107.32 106.12 1njj s GLY 86 Ca 0.48 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1njj s GLY 86 CO 0.37 -1.46 -0.24 -1.36 0.00 0.00 0.00 173.10 170.42 1njj s PHE 87 N -2.21 2.56 -0.77 1.90 0.40 0.43 0.14 117.98 120.43 1njj s PHE 87 Ca 0.41 -1.08 -0.17 0.00 -0.60 0.00 0.00 56.93 55.49 1njj s PHE 87 Cb -0.08 -1.71 0.16 0.00 0.51 0.00 0.00 43.02 41.89 1njj s PHE 87 CO 0.29 -0.44 0.83 0.34 0.70 0.00 0.00 175.22 176.93 1njj s ASP 88 N 0.41 6.52 0.08 1.36 2.15 0.12 -1.76 116.67 125.54 1njj s ASP 88 Ca -0.17 -2.08 -0.17 0.00 0.43 0.00 0.00 52.55 50.56 1njj s ASP 88 Cb -0.18 -2.29 -0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1njj s ASP 88 CO 0.07 -0.89 0.52 0.00 -0.17 0.00 0.00 175.17 174.71 1njj n ALA 90 N 1.46 2.10 -3.51 0.00 0.00 -1.26 -1.84 120.51 117.46 1njj n ALA 90 Ca -0.10 -1.63 -0.09 0.00 0.00 0.00 0.00 53.44 51.63 1njj n ALA 90 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1njj n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1njj s SER 91 N -1.72 -0.25 0.35 0.00 1.04 -1.26 -4.70 113.70 107.17 1njj s SER 91 Ca 0.12 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 56.05 1njj s SER 91 Cb 0.11 0.64 0.65 0.00 0.10 0.00 0.00 66.02 67.53 1njj s SER 91 CO 0.01 -1.19 1.82 -0.55 0.98 0.00 0.00 173.24 174.31 1njj h ASN 92 N 2.11 0.17 -0.10 7.02 -1.07 -1.97 -2.51 115.58 119.24 1njj h ASN 92 Ca -0.24 -0.05 -0.23 0.00 0.07 0.00 0.00 56.30 55.84 1njj h ASN 92 Cb 1.26 -0.05 0.01 0.00 -2.07 0.00 0.00 38.32 37.48 1njj h ASN 92 CO 0.31 0.47 -0.84 0.71 0.07 0.00 0.00 177.43 178.15 1njj h THR 93 N 0.15 1.29 -0.87 6.14 1.35 -1.98 -1.62 112.91 117.37 1njj h THR 93 Ca 0.02 -2.05 -0.02 0.00 -0.55 0.00 0.00 66.41 63.82 1njj h THR 93 Cb 0.60 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 69.13 1njj h THR 93 CO 0.04 0.64 0.48 -0.33 -0.25 0.00 0.00 175.52 176.11 1njj h GLU 94 N 0.44 1.21 -0.38 4.72 5.08 -1.94 0.13 114.58 123.83 1njj h GLU 94 Ca -0.08 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1njj h GLU 94 Cb 1.48 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1njj h GLU 94 CO 0.17 0.88 0.05 0.82 -1.00 0.00 0.00 179.01 179.93 1njj h ILE 95 N 1.22 1.25 -0.65 3.13 2.04 -1.41 -0.42 117.51 122.67 1njj h ILE 95 Ca 0.31 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1njj h ILE 95 Cb 0.02 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1njj h ILE 95 CO -0.05 0.30 0.32 -0.61 0.00 0.00 0.00 178.15 178.12 1njj h GLN 96 N 0.49 0.91 0.31 2.37 4.15 -0.75 0.74 115.11 123.32 1njj h GLN 96 Ca 0.11 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1njj h GLN 96 Cb 0.39 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1njj h GLN 96 CO 0.01 0.69 -0.15 -0.09 -1.93 0.00 0.00 178.83 177.36 1njj h ARG 97 N 0.91 -0.40 -0.30 1.69 2.43 -0.44 -1.13 114.38 117.14 1njj h ARG 97 Ca 0.23 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1njj h ARG 97 Cb 0.07 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1njj h ARG 97 CO -0.03 -0.09 0.18 0.28 -1.51 0.00 0.00 179.97 178.80 1njj h VAL 98 N -0.73 1.04 -0.01 0.20 2.07 -0.92 -0.14 116.25 117.75 1njj h VAL 98 Ca -0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1njj h VAL 98 Cb 0.49 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1njj h VAL 98 CO 0.07 0.07 0.01 0.03 0.02 0.00 0.00 177.57 177.77 1njj h ARG 99 N 0.37 0.00 -0.03 1.57 2.47 -0.87 -2.20 114.38 115.69 1njj h ARG 99 Ca 0.12 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.76 1njj h ARG 99 Cb -0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1njj h ARG 99 CO -0.05 0.00 -0.35 0.78 0.56 0.00 0.00 179.97 180.91 1njj h GLY 100 N 0.00 0.07 -2.75 0.04 0.00 0.32 -2.88 103.07 97.87 1njj h GLY 100 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1njj h GLY 100 CO -0.00 0.05 0.13 0.29 0.00 0.00 0.00 176.54 177.01 1njj n ILE 101 N -4.11 1.87 -0.36 2.60 -5.35 -0.83 -4.87 119.36 108.30 1njj n ILE 101 Ca -0.02 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 1njj n ILE 101 Cb 0.40 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1njj n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1njj n GLY 102 N 0.08 1.73 3.73 3.28 0.00 -1.09 -5.02 105.19 107.90 1njj n GLY 102 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1njj n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1njj s VAL 103 N -3.16 2.36 0.36 1.61 1.01 -1.21 -4.97 120.40 116.40 1njj s VAL 103 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1njj s VAL 103 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1njj s VAL 103 CO 0.00 0.03 1.05 -2.16 0.00 0.00 0.00 175.10 174.02 1njj s PRO 104 N 0.57 4.34 0.33 2.72 0.04 -1.26 -4.44 135.00 137.30 1njj s PRO 104 Ca 0.68 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.40 1njj s PRO 104 Cb -0.46 -2.76 0.99 0.00 0.04 0.00 0.00 34.50 32.32 1njj s PRO 104 CO 0.37 0.01 1.64 -1.35 0.04 0.00 0.00 177.00 177.71 1njj h PRO 105 N 2.95 0.23 -0.71 0.56 0.11 -1.87 -1.04 132.00 132.24 1njj h PRO 105 Ca -0.48 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.78 1njj h PRO 105 Cb 1.21 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1njj h PRO 105 CO 0.64 0.15 0.49 0.93 -0.21 0.00 0.00 178.00 179.99 1njj h GLU 106 N 0.23 0.24 -0.13 1.05 3.07 -1.93 -0.20 114.58 116.91 1njj h GLU 106 Ca 0.69 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1njj h GLU 106 Cb 1.56 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 1njj h GLU 106 CO -0.66 0.16 0.00 1.63 -1.40 0.00 0.00 179.01 178.74 1njj n LYS 107 N -4.43 1.32 -4.72 2.33 5.02 -0.39 -4.83 118.16 112.46 1njj n LYS 107 Ca 0.14 -0.50 -0.32 0.00 -2.02 0.00 0.00 58.31 55.60 1njj n LYS 107 Cb 0.61 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 34.35 1njj n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1njj s ILE 108 N -1.83 3.21 -0.18 -0.18 1.01 -0.09 -0.43 121.20 122.72 1njj s ILE 108 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1njj s ILE 108 Cb 0.06 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.26 1njj s ILE 108 CO 0.09 0.50 -0.08 -0.63 0.00 0.00 0.00 174.94 174.82 1njj s ILE 109 N -0.84 1.35 -1.23 2.92 1.01 -0.72 -4.58 121.20 119.11 1njj s ILE 109 Ca 0.13 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 1njj s ILE 109 Cb -0.11 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.91 1njj s ILE 109 CO 0.03 0.15 1.76 -0.47 0.00 0.00 0.00 174.94 176.42 1njj s TYR 110 N 1.53 2.53 -0.65 3.97 6.14 -0.04 -2.14 117.35 128.69 1njj s TYR 110 Ca -0.00 -0.99 0.00 0.00 0.64 0.00 0.00 57.07 56.72 1njj s TYR 110 Cb -0.16 -4.56 0.00 0.00 0.42 0.00 0.00 41.96 37.67 1njj s TYR 110 CO -0.08 -1.68 0.68 0.00 0.64 0.00 0.00 175.55 175.11 1njj n ALA 111 N 10.00 2.51 -2.55 3.97 0.00 -0.77 -2.44 120.51 131.23 1njj n ALA 111 Ca 0.46 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 1njj n ALA 111 Cb 0.47 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 1njj n ALA 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1njj s ASN 112 N 0.35 6.17 0.10 0.00 3.04 -1.26 -4.81 114.94 118.53 1njj s ASN 112 Ca 0.00 -0.20 -0.34 0.00 0.04 0.00 0.00 52.86 52.36 1njj s ASN 112 Cb 0.00 -2.19 -0.15 0.00 -1.54 0.00 0.00 41.25 37.37 1njj s ASN 112 CO 0.00 -0.31 1.57 -0.65 -3.04 0.00 0.00 177.10 174.68 1njj h PRO 113 N 8.44 -0.82 -4.16 0.43 0.11 -1.87 -3.38 132.00 130.74 1njj h PRO 113 Ca -0.30 0.06 -0.75 0.00 0.11 0.00 0.00 66.00 65.11 1njj h PRO 113 Cb 1.15 0.19 -0.24 0.00 0.11 0.00 0.00 31.00 32.21 1njj h PRO 113 CO 0.68 -0.55 -0.16 0.00 -0.21 0.00 0.00 178.00 177.76 1njj s LYS 115 N 1.69 2.99 0.06 0.00 1.02 -1.26 -5.08 119.74 119.16 1njj s LYS 115 Ca 0.05 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 1njj s LYS 115 Cb -0.28 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1njj s LYS 115 CO 0.03 0.63 1.20 -1.14 -0.92 0.00 0.00 175.35 175.15 1njj s GLN 116 N -1.87 4.43 0.26 1.68 0.74 -1.26 -4.84 119.66 118.79 1njj s GLN 116 Ca 0.24 1.78 -0.07 0.00 0.05 0.00 0.00 55.36 57.36 1njj s GLN 116 Cb -0.12 -3.34 0.46 0.00 1.10 0.00 0.00 33.01 31.11 1njj s GLN 116 CO 0.15 -0.26 1.61 0.82 -0.55 0.00 0.00 175.29 177.06 1njj h ILE 117 N 4.49 0.21 0.00 -2.34 2.04 -1.98 0.69 117.51 120.62 1njj h ILE 117 Ca -0.42 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1njj h ILE 117 Cb 1.21 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1njj h ILE 117 CO 0.81 0.01 -0.02 0.77 0.00 0.00 0.00 178.15 179.72 1njj h SER 118 N 0.04 0.00 0.17 1.72 4.64 -1.98 0.82 113.55 118.96 1njj h SER 118 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1njj h SER 118 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1njj h SER 118 CO -0.79 0.02 -0.08 0.45 -0.87 0.00 0.00 176.83 175.55 1njj h HIS 119 N 0.00 -0.21 -1.06 4.77 3.86 -0.06 -1.62 115.15 120.82 1njj h HIS 119 Ca -0.00 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.49 1njj h HIS 119 Cb 0.03 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 28.47 1njj h HIS 119 CO 0.00 0.20 0.68 0.82 0.86 0.00 0.00 177.93 180.49 1njj h ILE 120 N -0.89 0.48 -0.63 2.45 2.04 -0.60 1.18 117.51 121.54 1njj h ILE 120 Ca -0.02 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1njj h ILE 120 Cb 0.51 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1njj h ILE 120 CO 0.04 0.07 0.09 -0.09 0.00 0.00 0.00 178.15 178.26 1njj h ARG 121 N 0.38 1.05 -0.44 2.37 2.43 -0.75 -2.18 114.38 117.24 1njj h ARG 121 Ca 0.62 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1njj h ARG 121 Cb 1.59 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 1njj h ARG 121 CO -0.33 0.98 0.07 -0.92 -1.51 0.00 0.00 179.97 178.27 1njj h TYR 122 N 0.97 0.77 -0.10 2.20 3.20 0.23 -1.87 116.97 122.37 1njj h TYR 122 Ca 0.19 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1njj h TYR 122 Cb 0.45 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1njj h TYR 122 CO 0.03 0.73 -0.10 0.00 -1.64 0.00 0.00 178.16 177.19 1njj h ALA 123 N 0.94 -0.02 -0.20 1.82 0.00 -0.83 -0.33 119.26 120.64 1njj h ALA 123 Ca 0.13 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1njj h ALA 123 Cb 0.38 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1njj h ALA 123 CO 0.01 -0.56 -0.26 -0.09 0.00 0.00 0.00 179.25 178.35 1njj h ARG 124 N -0.13 -0.28 0.00 0.00 2.43 -1.25 0.67 114.38 115.83 1njj h ARG 124 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1njj h ARG 124 Cb 0.23 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1njj h ARG 124 CO -0.18 -0.19 0.00 -0.44 -1.51 0.00 0.00 179.97 177.66 1njj h ASP 125 N -0.29 0.00 0.11 -3.80 3.45 -0.95 -1.71 116.42 113.23 1njj h ASP 125 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1njj h ASP 125 Cb 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1njj h ASP 125 CO -0.36 0.00 -0.46 -1.20 -1.57 0.00 0.00 179.24 175.65 1njj n SER 126 N -2.93 1.47 0.00 6.45 7.64 0.08 -4.95 113.62 121.37 1njj n SER 126 Ca -0.01 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1njj n SER 126 Cb 0.14 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1njj n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1njj n GLY 127 N 1.41 0.77 3.55 0.23 0.00 -0.46 -4.70 105.19 105.98 1njj n GLY 127 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1njj n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1njj s VAL 128 N -2.27 4.29 -1.64 1.61 1.01 -0.32 -4.58 120.40 118.50 1njj s VAL 128 Ca 0.00 0.58 0.18 0.00 0.00 0.00 0.00 61.98 62.74 1njj s VAL 128 Cb 0.00 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1njj s VAL 128 CO 0.00 -1.13 0.93 0.47 0.00 0.00 0.00 175.10 175.37 1njj n ASP 129 N 7.71 1.74 -4.49 3.32 8.00 -1.26 -4.10 116.55 127.47 1njj n ASP 129 Ca 0.05 -1.37 -0.37 0.00 0.71 0.00 0.00 54.79 53.81 1njj n ASP 129 Cb 0.48 0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 41.95 1njj n ASP 129 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1njj s VAL 130 N -2.10 4.53 0.07 2.53 1.01 -1.26 0.42 120.40 125.60 1njj s VAL 130 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1njj s VAL 130 Cb 0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1njj s VAL 130 CO 0.47 0.34 -0.03 -0.04 0.00 0.00 0.00 175.10 175.83 1njj s MET 131 N 1.51 0.71 0.44 2.72 -1.94 -0.87 -0.86 119.30 121.00 1njj s MET 131 Ca 0.06 -1.28 0.07 0.00 -1.71 0.00 0.00 55.69 52.84 1njj s MET 131 Cb -0.15 0.10 -0.01 0.00 2.01 0.00 0.00 34.83 36.78 1njj s MET 131 CO 0.05 -0.10 0.38 0.95 -0.01 0.00 0.00 175.02 176.28 1njj s THR 132 N -3.85 2.49 0.04 2.05 -4.23 -1.02 -0.56 115.64 110.55 1njj s THR 132 Ca 0.10 -1.38 -0.28 0.00 -1.18 0.00 0.00 61.69 58.96 1njj s THR 132 Cb 0.07 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 71.14 1njj s THR 132 CO -0.07 0.00 0.90 0.72 -0.54 0.00 0.00 174.62 175.63 1njj s PHE 133 N -2.53 -0.29 0.00 3.99 -0.12 -0.71 -4.35 117.98 113.97 1njj s PHE 133 Ca 0.46 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.46 1njj s PHE 133 Cb -0.03 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1njj s PHE 133 CO 0.27 -0.62 0.59 -0.40 -0.05 0.00 0.00 175.22 175.01 1njj n ASP 134 N -0.31 0.00 -3.56 1.98 3.85 -1.26 -1.06 116.55 116.19 1njj n ASP 134 Ca -0.08 -1.35 -0.14 0.00 -0.71 0.00 0.00 54.79 52.51 1njj n ASP 134 Cb 0.62 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 40.27 1njj n ASP 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1njj h VAL 136 N 2.72 0.91 0.00 0.00 2.07 -1.98 -2.74 116.25 117.22 1njj h VAL 136 Ca -0.31 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1njj h VAL 136 Cb 1.22 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1njj h VAL 136 CO 0.41 0.13 -0.02 -0.78 0.02 0.00 0.00 177.57 177.34 1njj h ASP 137 N 0.72 0.00 -0.48 0.57 3.58 -2.00 0.13 116.42 118.96 1njj h ASP 137 Ca 0.36 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.69 1njj h ASP 137 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1njj h ASP 137 CO -0.24 0.02 -0.18 -0.08 -2.88 0.00 0.00 179.24 175.88 1njj h GLU 138 N 0.00 0.98 -1.01 0.28 4.57 -1.86 -2.26 114.58 115.28 1njj h GLU 138 Ca -0.00 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 57.80 1njj h GLU 138 Cb 0.39 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 1njj h GLU 138 CO 0.00 1.07 0.67 -0.07 -1.18 0.00 0.00 179.01 179.50 1njj h LEU 139 N 0.85 1.15 -0.07 1.64 3.38 -0.78 0.33 115.31 121.81 1njj h LEU 139 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1njj h LEU 139 Cb 0.75 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1njj h LEU 139 CO 0.06 0.82 0.05 -0.33 0.09 0.00 0.00 178.44 179.13 1njj h GLU 140 N 1.35 0.10 -0.61 1.13 5.08 -0.92 0.16 114.58 120.87 1njj h GLU 140 Ca 0.38 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1njj h GLU 140 Cb -0.12 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1njj h GLU 140 CO -0.09 0.08 0.35 0.87 -1.00 0.00 0.00 179.01 179.22 1njj h LYS 141 N 0.09 0.66 0.05 2.33 1.57 -0.84 -2.49 116.57 117.94 1njj h LYS 141 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1njj h LYS 141 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1njj h LYS 141 CO -0.01 0.43 -0.02 0.28 -0.57 0.00 0.00 179.45 179.56 1njj h VAL 142 N 0.68 0.95 -0.97 0.50 2.07 -0.44 -1.34 116.25 117.70 1njj h VAL 142 Ca 0.26 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.96 1njj h VAL 142 Cb 0.10 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1njj h VAL 142 CO -0.14 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.02 1njj h ALA 143 N 0.88 1.59 0.00 1.67 0.00 -0.35 0.95 119.26 123.99 1njj h ALA 143 Ca -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1njj h ALA 143 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1njj h ALA 143 CO 0.01 -0.10 -0.38 0.87 0.00 0.00 0.00 179.25 179.66 1njj h LYS 144 N 0.70 0.00 0.00 0.00 6.56 -1.20 -3.36 116.57 119.26 1njj h LYS 144 Ca 0.56 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 60.06 1njj h LYS 144 Cb 0.89 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.53 1njj h LYS 144 CO -0.40 0.34 -1.34 2.41 -2.06 0.00 0.00 179.45 178.40 1njj n THR 145 N -3.17 0.35 -3.18 -0.16 -1.04 -0.44 -4.90 114.28 101.73 1njj n THR 145 Ca 0.02 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.65 1njj n THR 145 Cb 0.68 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 1njj n THR 145 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1njj n HIS 146 N -2.51 -0.99 0.06 -1.42 -0.00 0.32 -4.86 115.22 105.81 1njj n HIS 146 Ca -0.10 -3.21 -0.11 0.00 -0.00 0.00 0.00 57.72 54.30 1njj n HIS 146 Cb 0.63 0.09 -0.04 0.00 -0.00 0.00 0.00 29.99 30.67 1njj n HIS 146 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1njj h PRO 147 N 4.49 -0.33 -1.17 1.57 0.11 -1.66 -3.05 132.00 131.94 1njj h PRO 147 Ca 0.10 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1njj h PRO 147 Cb 0.91 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1njj h PRO 147 CO 0.40 -0.22 0.09 1.63 -0.21 0.00 0.00 178.00 179.69 1njj n LYS 148 N -5.35 1.17 -3.24 1.05 5.02 -1.26 -4.56 118.16 111.00 1njj n LYS 148 Ca -0.05 -0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 55.46 1njj n LYS 148 Cb 0.26 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1njj n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1njj s ALA 149 N -0.44 3.49 -0.32 7.82 0.00 -1.15 -5.02 121.76 126.14 1njj s ALA 149 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1njj s ALA 149 Cb 0.06 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1njj s ALA 149 CO 0.01 0.15 1.17 0.15 0.00 0.00 0.00 175.76 177.24 1njj s LYS 150 N -0.09 4.00 -0.13 0.00 1.02 0.17 -4.21 119.74 120.49 1njj s LYS 150 Ca 0.30 1.12 -0.05 0.00 0.02 0.00 0.00 55.97 57.36 1njj s LYS 150 Cb -0.18 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 1njj s LYS 150 CO 0.16 -1.01 0.05 -1.64 -0.92 0.00 0.00 175.35 171.99 1njj s MET 151 N 3.89 3.49 -0.19 1.68 -1.94 -0.31 -2.05 119.30 123.87 1njj s MET 151 Ca 0.50 -0.34 -0.04 0.00 -1.71 0.00 0.00 55.69 54.10 1njj s MET 151 Cb -0.14 -3.04 -0.02 0.00 2.01 0.00 0.00 34.83 33.64 1njj s MET 151 CO 0.19 0.53 -0.02 0.08 -0.01 0.00 0.00 175.02 175.79 1njj s VAL 152 N -0.36 3.89 -0.31 -6.03 1.01 0.28 0.01 120.40 118.88 1njj s VAL 152 Ca 0.09 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1njj s VAL 152 Cb -0.12 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1njj s VAL 152 CO 0.02 0.45 0.80 -0.22 0.00 0.00 0.00 175.10 176.15 1njj s LEU 153 N 0.80 4.08 -0.16 3.92 2.96 -0.38 -1.74 118.68 128.17 1njj s LEU 153 Ca -0.00 0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 1njj s LEU 153 Cb -0.14 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1njj s LEU 153 CO 0.02 -0.64 0.41 -0.60 -1.32 0.00 0.00 176.35 174.22 1njj s ARG 154 N 3.01 4.27 0.22 1.98 3.52 -0.22 -1.04 118.95 130.69 1njj s ARG 154 Ca 0.33 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 56.28 1njj s ARG 154 Cb -0.14 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1njj s ARG 154 CO 0.13 0.11 0.19 0.96 -0.81 0.00 0.00 175.30 175.88 1njj s ILE 155 N 0.82 4.57 0.19 4.11 -4.36 0.89 -1.36 121.20 126.06 1njj s ILE 155 Ca 0.22 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 1njj s ILE 155 Cb -0.14 -3.42 0.05 0.00 1.25 0.00 0.00 42.46 40.19 1njj s ILE 155 CO 0.08 -0.25 0.15 -1.54 0.24 0.00 0.00 174.94 173.62 1njj n SER 156 N -0.88 -1.43 0.00 4.36 3.41 -0.36 -4.43 113.62 114.30 1njj n SER 156 Ca -0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1njj n SER 156 Cb 0.57 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1njj n SER 156 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1njj n THR 157 N -2.97 0.00 0.00 6.66 -2.24 -1.26 -4.82 114.28 109.64 1njj n THR 157 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1njj n THR 157 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1njj n THR 157 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1njj n VAL 168 N -0.49 0.00 -0.11 2.28 3.14 -1.26 -5.12 118.33 116.77 1njj n VAL 168 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1njj n VAL 168 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 1njj n VAL 168 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1njj n LYS 169 N -0.28 0.69 -4.25 1.45 4.81 -1.26 -5.03 118.16 114.30 1njj n LYS 169 Ca 0.00 0.10 -0.15 0.00 -0.87 0.00 0.00 58.31 57.39 1njj n LYS 169 Cb 0.00 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 33.50 1njj n LYS 169 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1njj s PHE 170 N -2.44 1.28 0.00 5.64 2.99 -1.26 -5.08 117.98 119.11 1njj s PHE 170 Ca -0.25 -0.73 0.00 0.00 0.00 0.00 0.00 56.93 55.95 1njj s PHE 170 Cb 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 43.02 42.44 1njj s PHE 170 CO 0.56 0.10 0.00 0.41 -0.00 0.00 0.00 175.22 176.29 1njj n GLY 171 N -0.10 0.16 3.76 4.36 0.00 -1.26 -4.66 105.19 107.45 1njj n GLY 171 Ca -0.11 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1njj n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1njj s ALA 172 N 0.00 3.45 0.57 4.61 0.00 -0.46 -3.54 121.76 126.38 1njj s ALA 172 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1njj s ALA 172 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1njj s ALA 172 CO 0.00 -0.38 1.11 0.15 0.00 0.00 0.00 175.76 176.64 1njj s LYS 173 N -1.58 3.25 0.21 0.00 1.02 -1.26 -1.22 119.74 120.16 1njj s LYS 173 Ca 0.47 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 57.85 1njj s LYS 173 Cb -0.35 -2.00 0.15 0.00 -0.52 0.00 0.00 37.83 35.11 1njj s LYS 173 CO 0.46 -0.91 1.88 0.28 -0.92 0.00 0.00 175.35 176.14 1njj h VAL 174 N 0.87 1.19 -0.41 3.17 2.07 -1.95 -2.39 116.25 118.80 1njj h VAL 174 Ca -0.49 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1njj h VAL 174 Cb 1.25 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1njj h VAL 174 CO 0.56 0.18 0.30 -0.33 0.02 0.00 0.00 177.57 178.31 1njj h GLU 175 N 1.00 0.00 -0.02 1.57 5.08 -2.04 -0.57 114.58 119.60 1njj h GLU 175 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1njj h GLU 175 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1njj h GLU 175 CO -0.06 0.00 -0.14 -0.25 -1.00 0.00 0.00 179.01 177.55 1njj n ASP 176 N -4.38 2.29 -0.20 1.42 8.00 -0.92 -4.42 116.55 118.34 1njj n ASP 176 Ca 0.07 -1.68 -0.09 0.00 0.71 0.00 0.00 54.79 53.80 1njj n ASP 176 Cb 0.50 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.75 1njj n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1njj h ARG 178 N 0.92 -0.50 -0.90 0.00 2.43 -1.77 0.29 114.38 114.84 1njj h ARG 178 Ca 0.16 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1njj h ARG 178 Cb 0.55 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1njj h ARG 178 CO 0.03 -0.34 0.56 0.35 -1.51 0.00 0.00 179.97 179.06 1njj h PHE 179 N -0.52 1.02 -0.20 2.20 3.57 -1.82 -1.11 116.94 120.08 1njj h PHE 179 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1njj h PHE 179 Cb 0.45 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1njj h PHE 179 CO -0.12 0.47 0.10 0.82 -2.23 0.00 0.00 178.31 177.35 1njj h ILE 180 N 0.96 1.13 -0.27 1.41 2.04 -0.76 -1.99 117.51 120.04 1njj h ILE 180 Ca 0.42 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1njj h ILE 180 Cb 0.28 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1njj h ILE 180 CO -0.21 0.13 0.17 -0.07 0.00 0.00 0.00 178.15 178.17 1njj h LEU 181 N 0.20 0.31 -0.41 1.44 3.38 -0.43 -0.21 115.31 119.59 1njj h LEU 181 Ca 0.07 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1njj h LEU 181 Cb 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1njj h LEU 181 CO -0.01 0.23 -0.11 -0.33 0.09 0.00 0.00 178.44 178.31 1njj h GLU 182 N 0.36 -0.01 -0.46 1.13 5.08 -1.09 0.25 114.58 119.84 1njj h GLU 182 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1njj h GLU 182 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1njj h GLU 182 CO -0.02 -0.01 0.23 1.96 -1.00 0.00 0.00 179.01 180.18 1njj h GLN 183 N -0.01 0.63 -0.01 2.33 1.08 -0.95 0.55 115.11 118.74 1njj h GLN 183 Ca 0.20 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1njj h GLN 183 Cb 0.31 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1njj h GLN 183 CO -0.42 0.47 -0.43 0.00 -0.95 0.00 0.00 178.83 177.50 1njj h ALA 184 N 1.63 1.28 0.16 3.87 0.00 0.85 -0.33 119.26 126.72 1njj h ALA 184 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1njj h ALA 184 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1njj h ALA 184 CO -0.02 0.54 -0.08 -0.22 0.00 0.00 0.00 179.25 179.47 1njj h LYS 185 N 0.01 -0.21 0.00 0.00 1.63 0.14 0.24 116.57 118.38 1njj h LYS 185 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1njj h LYS 185 Cb 0.76 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1njj h LYS 185 CO 0.06 0.13 -0.00 0.87 -3.45 0.00 0.00 179.45 177.05 1njj h LYS 186 N -0.57 0.00 -0.09 1.90 1.57 -0.66 0.11 116.57 118.83 1njj h LYS 186 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1njj h LYS 186 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1njj h LYS 186 CO 0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.20 1njj n LEU 187 N -3.20 2.72 -3.63 2.94 4.77 -0.16 -4.96 117.00 115.48 1njj n LEU 187 Ca -0.03 -0.97 -0.24 0.00 -0.03 0.00 0.00 56.01 54.74 1njj n LEU 187 Cb 0.08 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1njj n LEU 187 CO 0.21 0.49 0.18 -3.20 -1.33 0.00 0.00 177.39 173.74 1njj n ASN 188 N 1.10 -5.06 -4.73 -1.43 5.15 0.40 -4.90 115.26 105.79 1njj n ASN 188 Ca 0.16 -0.61 -0.38 0.00 -0.60 0.00 0.00 54.58 53.15 1njj n ASN 188 Cb 0.54 -4.80 -0.06 0.00 -0.53 0.00 0.00 39.78 34.94 1njj n ASN 188 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1njj s ILE 189 N -3.34 5.13 -1.17 -1.44 -1.09 0.68 -4.97 121.20 114.99 1njj s ILE 189 Ca 0.47 1.05 -0.19 0.00 -2.23 0.00 0.00 60.65 59.74 1njj s ILE 189 Cb -0.21 -3.86 0.07 0.00 -1.58 0.00 0.00 42.46 36.89 1njj s ILE 189 CO 0.75 0.34 1.58 -0.62 -1.23 0.00 0.00 174.94 175.76 1njj s ASP 190 N 0.46 6.72 -0.41 3.58 2.15 -1.26 -4.75 116.67 123.15 1njj s ASP 190 Ca 0.28 -2.11 -0.29 0.00 0.43 0.00 0.00 52.55 50.86 1njj s ASP 190 Cb -0.16 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1njj s ASP 190 CO 0.12 -1.25 1.25 -0.69 -0.17 0.00 0.00 175.17 174.44 1njj s VAL 191 N 4.20 4.12 -1.64 1.11 1.01 -1.26 -1.16 120.40 126.77 1njj s VAL 191 Ca 0.49 1.17 0.19 0.00 0.00 0.00 0.00 61.98 63.83 1njj s VAL 191 Cb 0.02 -4.38 0.55 0.00 0.00 0.00 0.00 36.38 32.57 1njj s VAL 191 CO -0.00 -0.80 1.46 0.35 0.00 0.00 0.00 175.10 176.12 1njj n THR 192 N 6.74 1.03 -3.62 3.92 -2.24 0.10 -3.87 114.28 116.34 1njj n THR 192 Ca 0.14 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1njj n THR 192 Cb 0.48 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1njj n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njj n GLY 193 N 1.31 -1.31 3.22 3.38 0.00 -1.24 -1.31 105.19 109.24 1njj n GLY 193 Ca 0.21 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1njj n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1njj s VAL 194 N -3.00 1.16 0.17 1.61 1.01 -0.53 -1.25 120.40 119.57 1njj s VAL 194 Ca 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 61.98 60.03 1njj s VAL 194 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1njj s VAL 194 CO 0.00 -0.57 0.41 -0.94 0.00 0.00 0.00 175.10 174.00 1njj s SER 195 N -2.70 -0.14 0.33 3.32 1.04 -0.21 -1.14 113.70 114.20 1njj s SER 195 Ca 0.11 -0.58 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 1njj s SER 195 Cb -0.02 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1njj s SER 195 CO 0.01 -0.95 0.74 0.72 0.98 0.00 0.00 173.24 174.74 1njj s PHE 196 N -3.89 0.00 -0.26 5.02 -0.12 -1.00 -0.08 117.98 117.66 1njj s PHE 196 Ca 0.10 -0.55 -0.09 0.00 -0.05 0.00 0.00 56.93 56.33 1njj s PHE 196 Cb 0.01 0.73 0.11 0.00 -0.63 0.00 0.00 43.02 43.24 1njj s PHE 196 CO -0.04 -1.38 0.57 -1.58 -0.05 0.00 0.00 175.22 172.74 1njj s HIS 197 N -3.17 -1.14 -0.09 3.49 2.46 -1.26 -2.76 115.29 112.83 1njj s HIS 197 Ca 0.14 2.04 0.15 0.00 0.47 0.00 0.00 55.06 57.86 1njj s HIS 197 Cb -0.05 0.62 -0.21 0.00 -0.13 0.00 0.00 32.58 32.82 1njj s HIS 197 CO 0.09 -0.59 0.64 1.33 -2.47 0.00 0.00 174.74 173.74 1njj n VAL 198 N 5.34 1.42 -0.16 0.89 0.24 -1.26 -4.75 118.33 120.04 1njj n VAL 198 Ca -0.12 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1njj n VAL 198 Cb 0.50 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1njj n VAL 198 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1njj n GLY 199 N 1.52 -3.39 0.26 7.63 0.00 -1.25 -4.65 105.19 105.31 1njj n GLY 199 Ca -0.16 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.09 1njj n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1njj n SER 200 N -0.31 1.25 -1.64 1.61 3.41 -1.26 -4.42 113.62 112.26 1njj n SER 200 Ca 0.00 -1.00 -0.05 0.00 -0.26 0.00 0.00 58.87 57.55 1njj n SER 200 Cb 0.00 0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1njj n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1njj n GLY 201 N 1.40 3.00 3.75 5.00 0.00 -1.26 -4.88 105.19 112.20 1njj n GLY 201 Ca 0.09 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1njj n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1njj s SER 202 N 1.46 6.16 -0.18 1.61 0.01 -1.26 -4.93 113.70 116.56 1njj s SER 202 Ca 0.12 0.26 0.16 0.00 1.31 0.00 0.00 55.95 57.80 1njj s SER 202 Cb 0.08 -2.06 -0.23 0.00 0.21 0.00 0.00 66.02 64.03 1njj s SER 202 CO -0.00 0.23 0.07 1.07 0.41 0.00 0.00 173.24 175.02 1njj n THR 203 N 3.19 1.23 -4.85 1.44 5.66 -1.26 -4.78 114.28 114.91 1njj n THR 203 Ca -0.17 -0.77 -0.27 0.00 -3.05 0.00 0.00 64.05 59.79 1njj n THR 203 Cb 0.53 -0.50 -0.17 0.00 -1.55 0.00 0.00 70.33 68.64 1njj n THR 203 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1njj s ASP 204 N -5.23 2.29 0.02 1.09 3.68 -1.26 -4.78 116.67 112.48 1njj s ASP 204 Ca -0.09 -0.40 0.25 0.00 2.13 0.00 0.00 52.55 54.44 1njj s ASP 204 Cb 0.06 -0.99 1.04 0.00 -1.45 0.00 0.00 42.92 41.59 1njj s ASP 204 CO 0.75 0.10 1.79 0.00 0.13 0.00 0.00 175.17 177.94 1njj n ALA 205 N 3.60 2.13 -0.32 3.66 0.00 -1.26 -3.72 120.51 124.60 1njj n ALA 205 Ca -0.21 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1njj n ALA 205 Cb 0.52 -1.40 0.43 0.00 0.00 0.00 0.00 19.45 18.99 1njj n ALA 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1njj h SER 206 N 0.00 0.59 -1.02 0.00 4.64 -1.98 0.15 113.55 115.94 1njj h SER 206 Ca 0.00 0.09 0.28 0.00 -0.47 0.00 0.00 61.79 61.68 1njj h SER 206 Cb 0.44 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.39 1njj h SER 206 CO 0.00 0.17 0.60 0.74 -0.87 0.00 0.00 176.83 177.48 1njj h THR 207 N 0.56 0.45 -0.51 2.95 2.02 -2.00 0.63 112.91 117.01 1njj h THR 207 Ca 0.57 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 67.47 1njj h THR 207 Cb 1.18 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1njj h THR 207 CO -0.33 0.09 -0.14 -0.26 0.37 0.00 0.00 175.52 175.25 1njj h PHE 208 N 0.47 1.12 -0.36 3.16 0.04 -0.98 -1.54 116.94 118.85 1njj h PHE 208 Ca 0.67 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 61.18 1njj h PHE 208 Cb 1.42 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 1njj h PHE 208 CO -0.01 1.05 0.13 0.00 -0.60 0.00 0.00 178.31 178.88 1njj h ALA 209 N 0.95 0.47 -0.49 2.45 0.00 0.19 -2.05 119.26 120.78 1njj h ALA 209 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1njj h ALA 209 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1njj h ALA 209 CO 0.05 0.10 -0.20 0.37 0.00 0.00 0.00 179.25 179.57 1njj h GLN 210 N 0.44 0.99 -0.27 0.00 5.75 -0.90 -1.60 115.11 119.53 1njj h GLN 210 Ca 0.12 -0.41 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 1njj h GLN 210 Cb 0.23 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1njj h GLN 210 CO -0.01 1.09 -0.11 0.00 -2.65 0.00 0.00 178.83 177.15 1njj h ALA 211 N 0.90 1.32 -0.02 3.38 0.00 -1.21 -0.83 119.26 122.81 1njj h ALA 211 Ca 0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1njj h ALA 211 Cb 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1njj h ALA 211 CO 0.06 0.46 -0.91 0.82 0.00 0.00 0.00 179.25 179.68 1njj h ILE 212 N 0.41 1.39 -0.01 0.00 2.04 -1.18 -0.90 117.51 119.26 1njj h ILE 212 Ca 0.08 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.56 1njj h ILE 212 Cb 0.45 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1njj h ILE 212 CO 0.02 0.71 0.00 -1.28 0.00 0.00 0.00 178.15 177.61 1njj h SER 213 N 0.25 0.02 -0.88 1.72 0.87 -0.98 -2.33 113.55 112.21 1njj h SER 213 Ca -0.07 -0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1njj h SER 213 Cb 1.54 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.43 1njj h SER 213 CO 0.16 0.17 0.57 0.44 -0.53 0.00 0.00 176.83 177.64 1njj h ASP 214 N -0.14 0.83 0.07 6.23 3.45 -1.13 -1.07 116.42 124.66 1njj h ASP 214 Ca 0.00 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 1njj h ASP 214 Cb 0.16 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1njj h ASP 214 CO -0.00 0.51 -0.13 0.28 -1.57 0.00 0.00 179.24 178.33 1njj h SER 215 N 0.93 0.13 0.13 6.45 0.02 -0.70 -2.09 113.55 118.43 1njj h SER 215 Ca 0.39 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1njj h SER 215 Cb 0.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1njj h SER 215 CO -0.16 0.28 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.67 1njj h ARG 216 N 0.14 -0.17 -0.37 3.45 9.65 -0.69 0.62 114.38 127.01 1njj h ARG 216 Ca 0.03 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1njj h ARG 216 Cb 0.32 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.85 1njj h ARG 216 CO 0.02 0.15 -0.41 0.35 2.80 0.00 0.00 179.97 182.88 1njj h PHE 217 N -0.51 -1.18 -0.11 2.20 3.57 -1.16 0.24 116.94 120.00 1njj h PHE 217 Ca -0.02 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1njj h PHE 217 Cb 0.40 0.57 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1njj h PHE 217 CO 0.03 -0.43 -0.31 0.28 -2.23 0.00 0.00 178.31 175.65 1njj h VAL 218 N -0.33 1.26 -0.77 1.41 2.07 -1.41 -2.54 116.25 115.94 1njj h VAL 218 Ca 0.14 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1njj h VAL 218 Cb 0.58 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1njj h VAL 218 CO -0.55 0.37 0.50 0.15 0.02 0.00 0.00 177.57 178.06 1njj h PHE 219 N 0.18 0.98 -0.27 1.57 3.57 0.12 -1.87 116.94 121.22 1njj h PHE 219 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1njj h PHE 219 Cb 0.64 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1njj h PHE 219 CO 0.01 0.63 0.03 -0.44 -2.23 0.00 0.00 178.31 176.31 1njj h ASP 220 N 1.05 0.44 -0.52 0.41 3.32 -0.23 -2.16 116.42 118.72 1njj h ASP 220 Ca 0.28 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.13 1njj h ASP 220 Cb -0.10 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 1njj h ASP 220 CO -0.06 0.61 0.18 0.24 -1.72 0.00 0.00 179.24 178.49 1njj h MET 221 N 0.26 0.34 -0.46 3.56 2.86 -1.16 0.87 114.93 121.21 1njj h MET 221 Ca 0.08 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1njj h MET 221 Cb 0.36 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1njj h MET 221 CO 0.01 0.23 0.22 0.78 1.06 0.00 0.00 176.91 179.20 1njj h GLY 222 N 0.35 0.63 1.51 8.32 0.00 -1.19 0.23 103.07 112.92 1njj h GLY 222 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1njj h GLY 222 CO -0.27 0.09 -0.02 -0.84 0.00 0.00 0.00 176.54 175.50 1njj h THR 223 N 0.44 1.22 -0.43 4.70 2.02 -0.55 0.45 112.91 120.75 1njj h THR 223 Ca 0.20 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 1njj h THR 223 Cb 0.12 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1njj h THR 223 CO -0.15 0.31 -0.02 -0.08 0.37 0.00 0.00 175.52 175.94 1njj h GLU 224 N 0.57 0.72 -0.86 6.66 4.81 0.19 -2.61 114.58 124.06 1njj h GLU 224 Ca 0.12 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1njj h GLU 224 Cb 0.40 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 1njj h GLU 224 CO 0.02 0.74 0.14 1.28 -0.73 0.00 0.00 179.01 180.46 1njj n LEU 225 N -4.22 4.22 -0.26 1.64 7.99 -0.04 -4.85 117.00 121.47 1njj n LEU 225 Ca 0.02 -2.18 -0.03 0.00 -0.01 0.00 0.00 56.01 53.81 1njj n LEU 225 Cb 0.30 -0.64 -0.01 0.00 -0.11 0.00 0.00 43.42 42.96 1njj n LEU 225 CO 0.41 0.59 -0.03 0.61 -1.51 0.00 0.00 177.39 177.46 1njj n GLY 226 N 0.05 0.63 3.75 -0.72 0.00 -0.98 -5.00 105.19 102.92 1njj n GLY 226 Ca 0.23 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1njj n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1njj s PHE 227 N -2.00 3.70 -1.27 1.61 0.40 0.16 -4.98 117.98 115.60 1njj s PHE 227 Ca 0.00 1.30 -0.18 0.00 -0.60 0.00 0.00 56.93 57.45 1njj s PHE 227 Cb 0.00 -2.69 0.01 0.00 0.51 0.00 0.00 43.02 40.84 1njj s PHE 227 CO 0.00 0.31 1.97 -1.71 0.70 0.00 0.00 175.22 176.49 1njj n ASN 228 N 2.81 4.00 -4.57 1.36 5.15 -1.25 -3.54 115.26 119.21 1njj n ASN 228 Ca -0.05 -2.83 -0.42 0.00 -0.60 0.00 0.00 54.58 50.68 1njj n ASN 228 Cb 0.51 -1.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.10 1njj n ASN 228 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1njj s MET 229 N 4.24 3.43 -0.01 1.20 -1.94 -1.26 -4.33 119.30 120.63 1njj s MET 229 Ca 0.54 0.15 0.02 0.00 -1.71 0.00 0.00 55.69 54.68 1njj s MET 229 Cb 0.08 -4.06 0.03 0.00 2.01 0.00 0.00 34.83 32.89 1njj s MET 229 CO 0.03 -1.81 0.92 -2.39 -0.01 0.00 0.00 175.02 171.76 1njj n HIS 230 N 8.72 0.00 -4.42 -0.03 1.44 -0.91 -4.93 115.22 115.09 1njj n HIS 230 Ca 0.07 -0.11 -0.21 0.00 -2.01 0.00 0.00 57.72 55.46 1njj n HIS 230 Cb 0.49 -0.05 -0.16 0.00 0.12 0.00 0.00 29.99 30.39 1njj n HIS 230 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1njj s ILE 231 N -0.30 0.85 -0.14 0.61 1.01 -0.43 -1.60 121.20 121.19 1njj s ILE 231 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 1njj s ILE 231 Cb 0.03 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.76 1njj s ILE 231 CO 0.00 0.27 -0.08 -0.22 0.00 0.00 0.00 174.94 174.91 1njj s LEU 232 N 0.33 1.48 -0.28 2.97 2.96 -0.66 -1.45 118.68 124.02 1njj s LEU 232 Ca -0.06 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1njj s LEU 232 Cb -0.10 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1njj s LEU 232 CO 0.01 -0.13 0.07 -0.62 -1.32 0.00 0.00 176.35 174.35 1njj s ASP 233 N 1.63 5.06 -0.00 3.68 -1.08 -0.29 -0.23 116.67 125.42 1njj s ASP 233 Ca 0.03 -0.63 0.13 0.00 -0.52 0.00 0.00 52.55 51.56 1njj s ASP 233 Cb -0.14 -1.87 0.39 0.00 -1.46 0.00 0.00 42.92 39.84 1njj s ASP 233 CO -0.08 -0.16 1.32 2.30 0.52 0.00 0.00 175.17 179.07 1njj n ILE 234 N 4.86 0.62 -4.59 4.11 -5.35 0.52 -2.38 119.36 117.16 1njj n ILE 234 Ca -0.15 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1njj n ILE 234 Cb 0.48 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 1njj n ILE 234 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1njj n GLY 235 N 1.17 1.54 0.00 3.28 0.00 -1.11 -4.69 105.19 105.39 1njj n GLY 235 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1njj n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1njj n GLY 236 N 0.00 5.28 0.00 -0.02 0.00 -1.20 0.24 105.19 109.48 1njj n GLY 236 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1njj n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1njj n GLY 237 N 0.13 1.18 3.68 -0.02 0.00 -1.26 -3.96 105.19 104.93 1njj n GLY 237 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1njj n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1njj s PHE 238 N -2.00 3.43 0.43 1.61 0.40 -1.26 -4.37 117.98 116.22 1njj s PHE 238 Ca 0.00 1.03 -0.23 0.00 -0.60 0.00 0.00 56.93 57.13 1njj s PHE 238 Cb 0.00 -2.81 -0.11 0.00 0.51 0.00 0.00 43.02 40.62 1njj s PHE 238 CO 0.00 -0.10 0.90 -0.35 0.70 0.00 0.00 175.22 176.37 1njj n PRO 239 N 4.71 1.13 -0.04 0.24 -0.04 -1.26 -2.68 135.00 137.06 1njj n PRO 239 Ca -0.01 0.41 0.02 0.00 -0.04 0.00 0.00 63.50 63.88 1njj n PRO 239 Cb 0.50 -1.92 0.04 0.00 -0.04 0.00 0.00 33.50 32.08 1njj n PRO 239 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1njj n GLY 240 N 1.33 1.19 3.23 0.55 0.00 -1.26 -4.39 105.19 105.84 1njj n GLY 240 Ca 0.10 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1njj n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1njj s THR 241 N -0.73 1.31 -0.88 2.61 -4.23 -1.26 -3.11 115.64 109.35 1njj s THR 241 Ca 0.08 -1.59 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 1njj s THR 241 Cb 0.04 -1.41 0.24 0.00 1.34 0.00 0.00 72.50 72.72 1njj s THR 241 CO 0.06 -0.33 1.81 -2.11 -0.54 0.00 0.00 174.62 173.51 1njj n ARG 242 N 0.78 0.09 0.08 3.99 1.85 -1.26 -3.70 116.66 118.50 1njj n ARG 242 Ca -0.17 0.13 -0.08 0.00 -1.00 0.00 0.00 57.85 56.72 1njj n ARG 242 Cb 0.56 -1.62 0.02 0.00 -1.05 0.00 0.00 32.46 30.37 1njj n ARG 242 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1njj h ASP 243 N 0.00 0.27 -1.31 2.89 2.03 -1.98 -3.45 116.42 114.87 1njj h ASP 243 Ca 0.00 -0.20 -0.73 0.00 -0.73 0.00 0.00 57.03 55.37 1njj h ASP 243 Cb 0.53 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1njj h ASP 243 CO 0.00 0.97 1.05 0.00 -1.03 0.00 0.00 179.24 180.22 1njj n ALA 244 N -2.47 0.10 -0.33 4.15 0.00 -1.24 -4.84 120.51 115.88 1njj n ALA 244 Ca -0.03 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1njj n ALA 244 Cb 0.76 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 1njj n ALA 244 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1njj n PRO 245 N 6.15 -0.35 -2.18 0.00 -0.02 -1.26 -4.16 135.00 133.18 1njj n PRO 245 Ca 0.32 1.34 -0.42 0.00 -2.02 0.00 0.00 63.50 62.71 1njj n PRO 245 Cb 0.13 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1njj n PRO 245 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1njj s LEU 246 N -9.63 4.29 0.38 2.45 2.96 -1.26 -4.98 118.68 112.89 1njj s LEU 246 Ca -0.09 2.08 -0.21 0.00 -0.22 0.00 0.00 54.13 55.68 1njj s LEU 246 Cb 0.09 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.13 1njj s LEU 246 CO 0.49 -0.80 0.91 -0.75 -1.32 0.00 0.00 176.35 174.88 1njj s LYS 247 N 3.16 4.29 0.21 1.98 2.47 -1.26 -4.85 119.74 125.75 1njj s LYS 247 Ca 0.65 1.10 -0.09 0.00 -1.56 0.00 0.00 55.97 56.07 1njj s LYS 247 Cb -0.30 -2.40 0.22 0.00 -1.46 0.00 0.00 37.83 33.89 1njj s LYS 247 CO 0.25 0.09 1.84 0.35 0.16 0.00 0.00 175.35 178.04 1njj h PHE 248 N 2.34 0.81 0.00 4.03 3.57 -1.91 -2.47 116.94 123.32 1njj h PHE 248 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1njj h PHE 248 Cb 1.18 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1njj h PHE 248 CO 0.62 0.44 -0.10 0.93 -2.23 0.00 0.00 178.31 177.97 1njj h GLU 249 N 0.83 0.00 0.00 1.11 5.08 -1.99 0.23 114.58 119.85 1njj h GLU 249 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1njj h GLU 249 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1njj h GLU 249 CO -0.13 0.10 -0.34 1.49 -1.00 0.00 0.00 179.01 179.13 1njj h GLU 250 N 0.00 0.00 0.00 2.33 4.81 -1.84 -2.91 114.58 116.96 1njj h GLU 250 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1njj h GLU 250 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1njj h GLU 250 CO 0.01 0.00 -0.57 0.82 -0.73 0.00 0.00 179.01 178.54 1njj h ILE 251 N 0.00 1.34 -0.81 2.32 2.04 -0.89 -3.02 117.51 118.49 1njj h ILE 251 Ca 0.00 -2.23 0.11 0.00 1.00 0.00 0.00 64.86 63.74 1njj h ILE 251 Cb 0.86 2.76 -0.06 0.00 -0.74 0.00 0.00 36.82 39.64 1njj h ILE 251 CO 0.00 0.46 0.53 0.00 0.00 0.00 0.00 178.15 179.14 1njj h ALA 252 N -0.25 1.78 0.58 1.87 0.00 -0.70 0.13 119.26 122.67 1njj h ALA 252 Ca -0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1njj h ALA 252 Cb 1.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1njj h ALA 252 CO -0.10 0.04 -0.28 0.78 0.00 0.00 0.00 179.25 179.70 1njj h GLY 253 N 0.72 -0.81 1.80 0.00 0.00 -1.61 0.78 103.07 103.95 1njj h GLY 253 Ca 0.38 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 1njj h GLY 253 CO -0.15 -0.30 0.09 -2.08 0.00 0.00 0.00 176.54 174.10 1njj h VAL 254 N -0.80 1.08 0.10 4.60 2.07 -1.25 -1.73 116.25 120.32 1njj h VAL 254 Ca -0.08 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1njj h VAL 254 Cb 0.61 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1njj h VAL 254 CO 0.13 0.09 -0.05 0.40 0.02 0.00 0.00 177.57 178.16 1njj h ILE 255 N 0.27 1.13 -0.73 4.57 2.04 -0.72 -2.58 117.51 121.49 1njj h ILE 255 Ca 0.07 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 65.00 1njj h ILE 255 Cb 0.05 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1njj h ILE 255 CO -0.01 0.24 0.48 0.78 0.00 0.00 0.00 178.15 179.64 1njj h ASN 256 N -0.60 0.66 0.83 1.72 -0.26 -0.53 0.36 115.58 117.77 1njj h ASN 256 Ca -0.01 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1njj h ASN 256 Cb 0.49 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1njj h ASN 256 CO 0.02 0.42 -0.40 0.78 -1.06 0.00 0.00 177.43 177.19 1njj h ASN 257 N 0.75 -0.95 -0.22 5.81 4.21 -1.29 -1.83 115.58 122.06 1njj h ASN 257 Ca 0.32 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.87 1njj h ASN 257 Cb 0.29 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1njj h ASN 257 CO -0.11 -0.64 0.15 0.00 -1.29 0.00 0.00 177.43 175.54 1njj h ALA 258 N -1.41 1.86 0.00 -0.83 0.00 -1.18 0.18 119.26 117.88 1njj h ALA 258 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1njj h ALA 258 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1njj h ALA 258 CO 0.19 0.13 0.00 1.25 0.00 0.00 0.00 179.25 180.82 1njj h LEU 259 N 0.29 0.00 0.02 0.00 5.85 -0.12 -1.49 115.31 119.85 1njj h LEU 259 Ca 0.08 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.46 1njj h LEU 259 Cb -0.01 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1njj h LEU 259 CO -0.02 0.00 -2.12 1.21 -0.34 0.00 0.00 178.44 177.17 1njj n GLU 260 N -2.43 0.67 0.16 1.25 2.13 -0.04 -1.77 120.64 120.62 1njj n GLU 260 Ca 0.02 0.16 0.13 0.00 0.66 0.00 0.00 57.16 58.12 1njj n GLU 260 Cb 0.26 -1.64 0.30 0.00 0.27 0.00 0.00 31.44 30.63 1njj n GLU 260 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1njj h LYS 261 N 0.01 0.00 0.00 5.31 3.64 -1.06 -3.34 116.57 121.13 1njj h LYS 261 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1njj h LYS 261 Cb 2.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1njj h LYS 261 CO 0.04 0.00 -0.60 0.72 -2.27 0.00 0.00 179.45 177.33 1njj n HIS 262 N -2.64 0.00 -2.95 1.91 8.25 -0.58 -4.90 115.22 114.30 1njj n HIS 262 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 1njj n HIS 262 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1njj n HIS 262 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1njj n PHE 263 N -1.06 1.52 -1.48 4.41 3.01 -0.73 -4.92 117.46 118.21 1njj n PHE 263 Ca 0.00 -3.56 -0.38 0.00 1.01 0.00 0.00 57.45 54.51 1njj n PHE 263 Cb 0.10 -0.39 0.04 0.00 -0.01 0.00 0.00 39.48 39.21 1njj n PHE 263 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1njj n PRO 264 N 0.02 0.53 -1.31 -1.08 -0.04 -1.21 -4.65 135.00 127.26 1njj n PRO 264 Ca 0.24 0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 1njj n PRO 264 Cb 0.64 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1njj n PRO 264 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1njj n PRO 265 N -0.13 0.12 -3.47 0.54 -0.02 -1.26 -5.00 135.00 125.78 1njj n PRO 265 Ca 0.12 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1njj n PRO 265 Cb 0.47 -1.14 -0.05 0.00 -0.02 0.00 0.00 33.50 32.76 1njj n PRO 265 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1njj s ASP 266 N -1.02 -0.38 0.61 2.55 -1.08 -1.26 -5.04 116.67 111.05 1njj s ASP 266 Ca 0.60 0.56 0.38 0.00 -0.52 0.00 0.00 52.55 53.57 1njj s ASP 266 Cb -0.53 1.33 1.95 0.00 -1.46 0.00 0.00 42.92 44.21 1njj s ASP 266 CO 0.63 -0.08 2.22 -0.07 0.52 0.00 0.00 175.17 178.38 1njj h LEU 267 N 6.65 0.00 0.00 -1.34 3.38 -2.03 -1.21 115.31 120.76 1njj h LEU 267 Ca -0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 1njj h LEU 267 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1njj h LEU 267 CO 0.13 0.02 -0.96 0.11 0.09 0.00 0.00 178.44 177.83 1njj h LYS 268 N 0.00 0.00 -6.79 1.13 1.57 -1.96 -3.45 116.57 107.08 1njj h LYS 268 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1njj h LYS 268 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1njj h LYS 268 CO 0.00 0.87 0.29 -1.17 -0.57 0.00 0.00 179.45 178.87 1njj s LEU 269 N -6.61 4.38 -0.07 2.94 2.96 -0.46 -4.81 118.68 117.02 1njj s LEU 269 Ca 0.01 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 1njj s LEU 269 Cb 0.09 -3.85 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1njj s LEU 269 CO 0.81 -0.01 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.90 1njj s THR 270 N -1.53 0.61 -0.16 3.68 2.01 -0.63 -4.79 115.64 114.82 1njj s THR 270 Ca 0.47 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 1njj s THR 270 Cb -0.19 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1njj s THR 270 CO 0.24 0.27 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.75 1njj s ILE 271 N 1.41 3.59 0.29 1.82 1.01 -1.26 -1.66 121.20 126.39 1njj s ILE 271 Ca -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1njj s ILE 271 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1njj s ILE 271 CO -0.03 0.48 0.10 0.68 0.00 0.00 0.00 174.94 176.17 1njj s VAL 272 N 0.61 0.64 0.13 2.92 -7.23 0.67 -1.02 120.40 117.13 1njj s VAL 272 Ca -0.04 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1njj s VAL 272 Cb -0.15 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1njj s VAL 272 CO 0.03 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 174.96 1njj s ALA 273 N -3.62 0.43 -0.66 1.32 0.00 -0.44 -0.35 121.76 118.43 1njj s ALA 273 Ca 0.36 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1njj s ALA 273 Cb 0.07 0.78 0.27 0.00 0.00 0.00 0.00 23.12 24.24 1njj s ALA 273 CO 0.15 -0.54 0.83 0.39 0.00 0.00 0.00 175.76 176.59 1njj n GLU 274 N -0.12 2.77 -2.52 0.00 1.02 0.64 -0.28 120.64 122.17 1njj n GLU 274 Ca -0.08 -4.70 -0.41 0.00 -0.02 0.00 0.00 57.16 51.96 1njj n GLU 274 Cb 0.63 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1njj n GLU 274 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1njj s PRO 275 N -2.65 4.60 0.00 3.49 0.04 -1.16 -3.26 135.00 136.05 1njj s PRO 275 Ca 0.41 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 1njj s PRO 275 Cb 0.16 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.42 1njj s PRO 275 CO -0.02 0.08 -0.00 0.41 0.04 0.00 0.00 177.00 177.51 1njj n GLY 276 N 2.04 0.01 0.17 0.56 0.00 -1.26 -1.27 105.19 105.44 1njj n GLY 276 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1njj n GLY 276 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1njj h ARG 277 N -0.01 0.00 -0.64 1.61 0.11 -1.92 -3.22 114.38 110.32 1njj h ARG 277 Ca 0.00 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.21 1njj h ARG 277 Cb 0.01 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.98 1njj h ARG 277 CO 0.00 0.45 0.05 -0.92 0.10 0.00 0.00 179.97 179.65 1njj h TYR 278 N 0.00 0.05 0.00 4.08 3.20 -1.71 -1.82 116.97 120.77 1njj h TYR 278 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1njj h TYR 278 Cb 0.85 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1njj h TYR 278 CO 0.00 -0.13 0.00 1.88 -1.64 0.00 0.00 178.16 178.27 1njj h TYR 279 N 0.16 0.00 0.00 -3.82 -1.99 -1.88 -3.42 116.97 106.03 1njj h TYR 279 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 1njj h TYR 279 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1njj h TYR 279 CO -0.33 0.00 -0.14 1.33 -0.00 0.00 0.00 178.16 179.02 1njj n VAL 280 N -2.61 0.00 -0.09 -2.88 0.24 -0.96 -4.60 118.33 107.43 1njj n VAL 280 Ca 0.04 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 1njj n VAL 280 Cb 0.45 0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1njj n VAL 280 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1njj h ALA 281 N 0.00 -0.38 0.00 2.33 0.00 -1.58 -1.88 119.26 117.75 1njj h ALA 281 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1njj h ALA 281 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1njj h ALA 281 CO 0.00 -0.83 0.00 -1.13 0.00 0.00 0.00 179.25 177.29 1njj n SER 282 N -5.42 0.00 0.11 0.00 3.41 -1.18 -1.95 113.62 108.60 1njj n SER 282 Ca -0.01 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 1njj n SER 282 Cb 0.35 -0.42 0.41 0.00 -0.26 0.00 0.00 64.21 64.29 1njj n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1njj n ALA 283 N -1.42 2.21 -2.82 7.33 0.00 -0.71 -4.59 120.51 120.50 1njj n ALA 283 Ca 0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 1njj n ALA 283 Cb 0.29 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1njj n ALA 283 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1njj s PHE 284 N -3.13 2.93 -0.12 0.00 0.40 -1.23 -0.51 117.98 116.32 1njj s PHE 284 Ca 0.10 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1njj s PHE 284 Cb 0.12 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1njj s PHE 284 CO 0.58 0.07 -0.13 0.99 0.70 0.00 0.00 175.22 177.42 1njj s THR 285 N -0.12 1.40 -0.17 0.64 2.01 -0.66 -1.42 115.64 117.32 1njj s THR 285 Ca 0.01 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1njj s THR 285 Cb -0.13 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1njj s THR 285 CO 0.03 0.43 0.18 -0.22 -0.69 0.00 0.00 174.62 174.34 1njj s LEU 286 N 1.24 4.25 -0.29 4.42 2.96 0.22 -0.95 118.68 130.53 1njj s LEU 286 Ca -0.02 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1njj s LEU 286 Cb -0.14 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1njj s LEU 286 CO -0.05 0.20 0.03 0.00 -1.32 0.00 0.00 176.35 175.21 1njj s ALA 287 N 0.12 2.92 0.08 5.97 0.00 0.01 0.10 121.76 130.96 1njj s ALA 287 Ca 0.12 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.62 1njj s ALA 287 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1njj s ALA 287 CO 0.01 -0.97 -0.10 0.14 0.00 0.00 0.00 175.76 174.84 1njj s VAL 288 N 1.40 3.38 -0.20 0.00 -7.23 0.85 -1.50 120.40 117.10 1njj s VAL 288 Ca 0.00 -1.16 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1njj s VAL 288 Cb -0.18 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1njj s VAL 288 CO -0.00 0.19 0.13 0.21 -0.31 0.00 0.00 175.10 175.33 1njj s ASN 289 N -1.97 6.21 -0.14 4.85 3.04 -1.26 0.24 114.94 125.91 1njj s ASN 289 Ca 0.20 0.23 -0.29 0.00 0.04 0.00 0.00 52.86 53.04 1njj s ASN 289 Cb -0.11 -2.09 -0.04 0.00 -1.54 0.00 0.00 41.25 37.47 1njj s ASN 289 CO 0.12 0.17 1.63 -0.69 -3.04 0.00 0.00 177.10 175.29 1njj s VAL 290 N 0.39 3.66 -0.55 -5.21 1.01 -0.05 -2.96 120.40 116.69 1njj s VAL 290 Ca 0.08 0.77 0.20 0.00 0.00 0.00 0.00 61.98 63.03 1njj s VAL 290 Cb -0.11 -3.58 -0.26 0.00 0.00 0.00 0.00 36.38 32.42 1njj s VAL 290 CO -0.02 -0.16 0.68 2.30 0.00 0.00 0.00 175.10 177.90 1njj n ILE 291 N 5.94 0.00 -3.53 2.22 -5.35 0.21 -0.23 119.36 118.62 1njj n ILE 291 Ca 0.18 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 1njj n ILE 291 Cb 0.44 0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 38.88 1njj n ILE 291 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1njj s ALA 292 N -3.11 -1.83 0.15 -1.28 0.00 -1.12 -4.89 121.76 109.68 1njj s ALA 292 Ca 0.01 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1njj s ALA 292 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1njj s ALA 292 CO 0.83 -0.42 0.07 0.21 0.00 0.00 0.00 175.76 176.45 1njj s LYS 293 N -1.60 1.01 -0.20 0.00 2.20 -1.26 -0.75 119.74 119.13 1njj s LYS 293 Ca -0.04 -1.49 -0.16 0.00 -0.36 0.00 0.00 55.97 53.91 1njj s LYS 293 Cb -0.00 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.57 1njj s LYS 293 CO 0.03 -0.28 0.52 0.15 -0.36 0.00 0.00 175.35 175.41 1njj s LYS 294 N -4.06 0.58 0.20 4.03 1.02 -1.05 -5.01 119.74 115.44 1njj s LYS 294 Ca 0.27 0.81 0.08 0.00 0.02 0.00 0.00 55.97 57.15 1njj s LYS 294 Cb 0.07 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1njj s LYS 294 CO 0.04 -0.10 -0.03 0.08 -0.92 0.00 0.00 175.35 174.42 1njj s VAL 295 N 0.70 3.49 0.00 3.17 1.01 -1.26 -2.66 120.40 124.85 1njj s VAL 295 Ca -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1njj s VAL 295 Cb -0.05 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1njj s VAL 295 CO -0.05 -0.17 0.00 1.07 0.00 0.00 0.00 175.10 175.95 1njj n THR 296 N -0.24 0.00 -1.36 3.92 5.66 -0.44 -5.01 114.28 116.82 1njj n THR 296 Ca -0.09 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.53 1njj n THR 296 Cb 0.56 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.38 1njj n THR 296 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1njj n SER 309 N 0.00 -1.61 -2.01 1.09 3.41 -1.26 -0.34 113.62 112.91 1njj n SER 309 Ca 0.00 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.19 1njj n SER 309 Cb 0.00 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 62.79 1njj n SER 309 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1njj n ASN 310 N 0.61 -0.45 -4.47 4.04 5.15 0.65 -4.81 115.26 115.98 1njj n ASN 310 Ca 0.10 -1.98 -0.41 0.00 -0.60 0.00 0.00 54.58 51.70 1njj n ASN 310 Cb 0.49 0.94 -0.11 0.00 -0.53 0.00 0.00 39.78 40.57 1njj n ASN 310 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1njj s ALA 311 N -2.45 3.43 0.00 5.20 0.00 -1.26 -3.96 121.76 122.72 1njj s ALA 311 Ca 0.17 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1njj s ALA 311 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1njj s ALA 311 CO 0.12 -1.15 0.00 0.94 0.00 0.00 0.00 175.76 175.67 1njj n GLN 312 N 5.08 0.00 -4.31 0.00 7.27 -1.26 -5.10 117.38 119.06 1njj n GLN 312 Ca -0.12 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.70 1njj n GLN 312 Cb 0.48 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.01 1njj n GLN 312 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1njj s SER 313 N 0.00 2.69 0.44 1.69 1.04 0.54 -4.00 113.70 116.11 1njj s SER 313 Ca 0.00 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.78 1njj s SER 313 Cb 0.00 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 1njj s SER 313 CO 0.00 0.07 0.07 -0.36 0.98 0.00 0.00 173.24 174.00 1njj s PHE 314 N -1.20 2.35 -0.11 5.02 0.40 -0.71 -1.33 117.98 122.40 1njj s PHE 314 Ca 0.08 -0.72 -0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1njj s PHE 314 Cb -0.10 -1.79 0.06 0.00 0.51 0.00 0.00 43.02 41.70 1njj s PHE 314 CO 0.05 0.29 0.24 -1.64 0.70 0.00 0.00 175.22 174.86 1njj s MET 315 N -3.82 0.15 0.08 0.44 -1.94 -1.09 -3.06 119.30 110.06 1njj s MET 315 Ca 0.30 0.65 0.07 0.00 -1.71 0.00 0.00 55.69 55.00 1njj s MET 315 Cb 0.06 -0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 1njj s MET 315 CO 0.16 -0.25 -0.15 0.71 -0.01 0.00 0.00 175.02 175.48 1njj s TYR 316 N 2.02 2.63 -0.14 -0.03 1.51 0.26 -2.52 117.35 121.08 1njj s TYR 316 Ca -0.02 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1njj s TYR 316 Cb -0.12 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1njj s TYR 316 CO -0.08 0.35 -0.19 0.71 -1.11 0.00 0.00 175.55 175.23 1njj s TYR 317 N -1.08 2.71 0.25 2.71 1.51 0.07 0.19 117.35 123.71 1njj s TYR 317 Ca 0.18 -1.16 0.11 0.00 -1.01 0.00 0.00 57.07 55.19 1njj s TYR 317 Cb -0.11 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1njj s TYR 317 CO 0.09 -0.52 -0.15 0.14 -1.11 0.00 0.00 175.55 174.01 1njj s VAL 318 N 0.75 2.79 -0.09 0.71 -7.23 0.29 0.68 120.40 118.29 1njj s VAL 318 Ca -0.08 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 57.95 1njj s VAL 318 Cb -0.16 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1njj s VAL 318 CO 0.00 -0.31 2.38 -0.46 -0.31 0.00 0.00 175.10 176.40 1njj n ASN 319 N -0.46 5.63 -3.63 4.85 6.94 -1.15 -2.07 115.26 125.37 1njj n ASN 319 Ca -0.07 -2.61 -0.07 0.00 -0.02 0.00 0.00 54.58 51.81 1njj n ASN 319 Cb 0.58 -1.18 -0.06 0.00 -2.36 0.00 0.00 39.78 36.76 1njj n ASN 319 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1njj s ASP 320 N 1.52 -0.25 0.00 0.53 3.68 -1.26 -4.65 116.67 116.24 1njj s ASP 320 Ca 0.24 0.41 0.00 0.00 2.13 0.00 0.00 52.55 55.33 1njj s ASP 320 Cb 0.14 0.39 0.00 0.00 -1.45 0.00 0.00 42.92 42.00 1njj s ASP 320 CO -0.02 -0.14 0.00 0.61 0.13 0.00 0.00 175.17 175.76 1njj n GLY 321 N 1.43 1.73 0.65 2.66 0.00 -1.26 -4.40 105.19 106.00 1njj n GLY 321 Ca -0.09 -0.71 0.49 0.00 0.00 0.00 0.00 46.02 45.71 1njj n GLY 321 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1njj h VAL 322 N 0.15 0.05 -0.20 1.61 -1.51 -1.88 0.97 116.25 115.45 1njj h VAL 322 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.44 1njj h VAL 322 Cb 0.00 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.19 1njj h VAL 322 CO 0.00 0.00 0.03 -1.22 -1.23 0.00 0.00 177.57 175.15 1njj n TYR 323 N -4.13 0.69 -0.08 5.19 4.02 -1.26 -2.70 117.16 118.89 1njj n TYR 323 Ca 0.42 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1njj n TYR 323 Cb 1.85 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 40.90 1njj n TYR 323 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1njj n GLY 324 N 0.16 4.04 0.52 2.72 0.00 0.33 -4.96 105.19 108.01 1njj n GLY 324 Ca 0.10 -0.29 0.28 0.00 0.00 0.00 0.00 46.02 46.11 1njj n GLY 324 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1njj h SER 325 N 0.00 0.00 -0.56 1.61 0.02 -1.72 0.80 113.55 113.70 1njj h SER 325 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1njj h SER 325 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1njj h SER 325 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1njj n PHE 326 N -3.29 1.29 0.30 3.45 3.01 -1.05 -4.12 117.46 117.04 1njj n PHE 326 Ca 0.22 -0.51 0.19 0.00 1.01 0.00 0.00 57.45 58.37 1njj n PHE 326 Cb 1.48 -0.22 1.00 0.00 -0.01 0.00 0.00 39.48 41.73 1njj n PHE 326 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1njj h ASN 327 N 3.52 0.00 0.28 4.37 7.08 0.84 -1.08 115.58 130.60 1njj h ASN 327 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1njj h ASN 327 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1njj h ASN 327 CO 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.55 1njj h ILE 329 N 0.00 1.53 0.03 0.00 2.04 -1.41 -0.47 117.51 119.24 1njj h ILE 329 Ca 0.00 -2.56 -0.38 0.00 1.00 0.00 0.00 64.86 62.92 1njj h ILE 329 Cb 0.14 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1njj h ILE 329 CO 0.00 0.73 -2.33 0.18 0.00 0.00 0.00 178.15 176.73 1njj n LEU 330 N -3.65 2.82 0.07 1.44 4.77 -0.53 -3.92 117.00 118.00 1njj n LEU 330 Ca -0.01 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1njj n LEU 330 Cb 0.72 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1njj n LEU 330 CO 0.44 0.89 -0.28 1.88 -1.33 0.00 0.00 177.39 178.99 1njj h TYR 331 N -0.04 0.43 -0.09 -1.77 0.99 -0.92 -3.40 116.97 112.17 1njj h TYR 331 Ca -0.54 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 59.88 1njj h TYR 331 Cb 1.91 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 39.63 1njj h TYR 331 CO 0.04 1.34 0.00 -3.47 -0.00 0.00 0.00 178.16 176.07 1njj n ASP 332 N -3.45 2.50 -0.85 3.88 4.64 -0.33 -4.98 116.55 117.96 1njj n ASP 332 Ca -0.15 -2.47 -0.11 0.00 -1.38 0.00 0.00 54.79 50.69 1njj n ASP 332 Cb 1.04 -0.24 -0.05 0.00 -1.04 0.00 0.00 41.12 40.83 1njj n ASP 332 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1njj n HIS 333 N -0.63 0.00 -1.78 -0.67 8.25 -0.93 -4.94 115.22 114.52 1njj n HIS 333 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 1njj n HIS 333 Cb 0.48 -2.43 -0.01 0.00 1.12 0.00 0.00 29.99 29.15 1njj n HIS 333 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1njj s ALA 334 N -2.15 3.68 -0.22 -1.41 0.00 -0.36 -4.97 121.76 116.34 1njj s ALA 334 Ca 0.00 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.55 1njj s ALA 334 Cb 0.00 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.53 1njj s ALA 334 CO 0.00 -1.02 -0.13 0.08 0.00 0.00 0.00 175.76 174.69 1njj s VAL 335 N -0.43 1.94 0.29 0.00 1.01 -1.26 -4.48 120.40 117.47 1njj s VAL 335 Ca 0.59 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1njj s VAL 335 Cb -0.47 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1njj s VAL 335 CO 0.54 0.20 0.30 0.68 0.00 0.00 0.00 175.10 176.82 1njj s VAL 336 N 1.26 4.20 -0.20 2.92 -7.23 -1.26 -5.12 120.40 114.97 1njj s VAL 336 Ca -0.02 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1njj s VAL 336 Cb -0.17 -3.40 0.05 0.00 0.56 0.00 0.00 36.38 33.42 1njj s VAL 336 CO -0.08 -0.25 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.24 1njj s ARG 337 N -3.97 1.81 0.31 4.82 0.52 -1.26 -4.98 118.95 116.19 1njj s ARG 337 Ca 0.38 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1njj s ARG 337 Cb -0.08 -2.40 -0.10 0.00 0.52 0.00 0.00 34.95 32.90 1njj s ARG 337 CO 0.27 -0.48 1.27 -1.25 0.02 0.00 0.00 175.30 175.14 1njj s PRO 338 N 1.44 4.41 -0.18 3.54 0.04 -1.26 -4.49 135.00 138.50 1njj s PRO 338 Ca -0.02 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1njj s PRO 338 Cb -0.17 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1njj s PRO 338 CO -0.08 -0.12 0.07 -1.17 0.04 0.00 0.00 177.00 175.74 1njj s LEU 339 N -1.52 0.63 0.28 -3.56 2.96 0.98 -4.95 118.68 113.50 1njj s LEU 339 Ca 0.49 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 1njj s LEU 339 Cb -0.38 -0.36 -0.13 0.00 0.50 0.00 0.00 46.19 45.82 1njj s LEU 339 CO 0.49 -0.33 1.36 -2.65 -1.32 0.00 0.00 176.35 173.90 1njj n PRO 340 N 5.20 2.07 0.11 0.98 -0.02 -1.26 0.10 135.00 142.17 1njj n PRO 340 Ca -0.08 0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 1njj n PRO 340 Cb 0.48 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 1njj n PRO 340 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1njj h GLN 341 N 3.64 0.39 -6.55 -0.52 -0.00 -1.92 -3.46 115.11 106.69 1njj h GLN 341 Ca -0.45 -0.60 -0.58 0.00 -0.00 0.00 0.00 58.65 57.01 1njj h GLN 341 Cb 1.28 0.21 0.16 0.00 -0.00 0.00 0.00 27.48 29.13 1njj h GLN 341 CO 0.71 1.27 -0.21 0.54 -0.00 0.00 0.00 178.83 181.14 1njj n ARG 342 N -3.64 0.73 -2.30 0.06 1.74 -1.26 -4.86 116.66 107.13 1njj n ARG 342 Ca -0.10 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 1njj n ARG 342 Cb 1.01 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1njj n ARG 342 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1njj s GLU 343 N -2.10 4.36 -0.33 5.56 -1.05 -1.26 -4.90 118.70 118.98 1njj s GLU 343 Ca 0.68 1.91 -0.35 0.00 -0.15 0.00 0.00 54.97 57.06 1njj s GLU 343 Cb -0.49 -3.37 -0.11 0.00 -0.44 0.00 0.00 34.13 29.73 1njj s GLU 343 CO 0.54 -0.39 2.17 -2.30 0.95 0.00 0.00 175.26 176.23 1njj n PRO 344 N 4.28 1.19 -2.13 -4.83 -0.02 -1.26 -4.93 135.00 127.30 1njj n PRO 344 Ca 0.11 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1njj n PRO 344 Cb 0.44 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1njj n PRO 344 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1njj s ILE 345 N 7.17 2.74 0.00 4.25 1.09 -1.26 -4.97 121.20 130.22 1njj s ILE 345 Ca 1.08 0.74 0.00 0.00 -1.10 0.00 0.00 60.65 61.37 1njj s ILE 345 Cb -0.82 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.11 1njj s ILE 345 CO 0.48 0.18 0.42 -2.65 -0.10 0.00 0.00 174.94 173.27 1njj n PRO 346 N 0.80 0.00 -2.26 2.79 -0.02 -1.26 -3.19 135.00 131.86 1njj n PRO 346 Ca -0.00 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 1njj n PRO 346 Cb 0.42 -0.84 0.02 0.00 -0.02 0.00 0.00 33.50 33.08 1njj n PRO 346 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1njj n ASN 347 N -0.93 6.35 -4.73 2.55 3.02 -1.26 -5.02 115.26 115.24 1njj n ASN 347 Ca 0.00 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.37 1njj n ASN 347 Cb 0.00 -0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 38.29 1njj n ASN 347 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1njj s GLU 348 N -3.88 4.55 0.41 3.52 2.12 -1.19 -5.02 118.70 119.21 1njj s GLU 348 Ca 0.49 1.21 -0.25 0.00 0.36 0.00 0.00 54.97 56.78 1njj s GLU 348 Cb 0.39 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 31.30 1njj s GLU 348 CO -0.29 0.16 1.23 0.21 -0.54 0.00 0.00 175.26 176.03 1njj s LYS 349 N 0.30 3.96 0.02 4.30 2.20 -1.26 -4.80 119.74 124.47 1njj s LYS 349 Ca 0.43 1.98 0.09 0.00 -0.36 0.00 0.00 55.97 58.11 1njj s LYS 349 Cb -0.21 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1njj s LYS 349 CO 0.25 -0.44 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.02 1njj s LEU 350 N -2.55 2.13 0.10 5.43 1.02 -1.26 -4.28 118.68 119.26 1njj s LEU 350 Ca 0.58 -0.55 0.05 0.00 0.02 0.00 0.00 54.13 54.23 1njj s LEU 350 Cb -0.34 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1njj s LEU 350 CO 0.43 0.28 -0.14 -0.31 0.02 0.00 0.00 176.35 176.63 1njj s TYR 351 N -0.74 1.29 0.16 0.29 1.51 -0.14 0.24 117.35 119.96 1njj s TYR 351 Ca 0.11 -0.53 -0.32 0.00 -1.01 0.00 0.00 57.07 55.33 1njj s TYR 351 Cb -0.10 -0.70 -0.11 0.00 -0.11 0.00 0.00 41.96 40.95 1njj s TYR 351 CO 0.01 0.09 1.67 -1.25 -1.11 0.00 0.00 175.55 174.96 1njj s PRO 352 N -2.28 4.17 0.10 -1.71 0.04 -1.25 -1.82 135.00 132.24 1njj s PRO 352 Ca 0.04 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.56 1njj s PRO 352 Cb -0.07 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 1njj s PRO 352 CO 0.02 -0.71 0.02 0.43 0.04 0.00 0.00 177.00 176.80 1njj n SER 353 N 4.41 1.53 -3.63 6.66 7.64 -0.12 -1.74 113.62 128.36 1njj n SER 353 Ca 0.15 -1.48 -0.12 0.00 1.01 0.00 0.00 58.87 58.43 1njj n SER 353 Cb 0.37 0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1njj n SER 353 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1njj s SER 354 N -1.57 -0.64 0.20 6.43 1.04 -1.17 -2.02 113.70 115.97 1njj s SER 354 Ca 0.03 1.22 0.08 0.00 0.48 0.00 0.00 55.95 57.76 1njj s SER 354 Cb 0.00 1.23 -0.04 0.00 0.10 0.00 0.00 66.02 67.31 1njj s SER 354 CO 0.02 -0.23 -0.02 -0.69 0.98 0.00 0.00 173.24 173.30 1njj s VAL 355 N 0.27 3.55 0.01 5.02 1.01 -0.97 0.90 120.40 130.19 1njj s VAL 355 Ca 0.01 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 1njj s VAL 355 Cb -0.05 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1njj s VAL 355 CO -0.01 -0.17 0.09 0.26 0.00 0.00 0.00 175.10 175.26 1njj s TRP 356 N -1.86 0.12 0.68 5.22 0.52 0.13 -2.39 118.94 121.37 1njj s TRP 356 Ca 0.28 -0.29 -0.11 0.00 0.02 0.00 0.00 56.10 56.00 1njj s TRP 356 Cb -0.09 -0.10 0.00 0.00 -1.15 0.00 0.00 33.47 32.14 1njj s TRP 356 CO 0.18 -0.27 1.06 0.20 0.02 0.00 0.00 176.95 178.14 1njj s GLY 357 N -1.49 1.67 0.00 0.98 0.00 -0.09 -0.55 107.32 107.83 1njj s GLY 357 Ca -0.14 0.05 0.16 0.00 0.00 0.00 0.00 44.72 44.79 1njj s GLY 357 CO 0.00 0.35 1.42 -1.55 0.00 0.00 0.00 173.10 173.32 1njj n PRO 358 N -3.07 0.39 -3.15 2.90 -0.04 -0.88 -4.72 135.00 126.43 1njj n PRO 358 Ca 0.07 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1njj n PRO 358 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1njj n PRO 358 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1njj s THR 359 N -2.24 4.67 -1.16 0.52 2.01 -1.26 -4.97 115.64 113.21 1njj s THR 359 Ca 0.21 0.98 0.10 0.00 0.31 0.00 0.00 61.69 63.29 1njj s THR 359 Cb 0.11 -3.65 0.12 0.00 0.01 0.00 0.00 72.50 69.08 1njj s THR 359 CO 0.21 -0.11 1.28 0.00 -0.69 0.00 0.00 174.62 175.31 1njj s ASP 361 N -2.84 6.95 0.00 0.00 -1.08 -1.26 -4.88 116.67 113.55 1njj s ASP 361 Ca 0.07 1.88 0.16 0.00 -0.52 0.00 0.00 52.55 54.13 1njj s ASP 361 Cb 0.07 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.86 1njj s ASP 361 CO 0.17 -0.69 1.39 0.61 0.52 0.00 0.00 175.17 177.17 1njj n GLY 362 N 3.55 -0.61 0.05 2.66 0.00 -1.26 -1.23 105.19 108.35 1njj n GLY 362 Ca 0.13 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1njj n GLY 362 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1njj n LEU 363 N -1.11 0.46 -3.47 0.99 7.94 -1.26 -4.57 117.00 115.98 1njj n LEU 363 Ca 0.10 0.10 -0.36 0.00 -1.11 0.00 0.00 56.01 54.74 1njj n LEU 363 Cb 0.08 -0.04 -0.03 0.00 0.53 0.00 0.00 43.42 43.96 1njj n LEU 363 CO 0.10 -0.05 2.36 -0.67 -1.11 0.00 0.00 177.39 178.02 1njj n ASP 364 N -2.33 3.92 -4.41 1.96 -0.08 -0.37 -4.84 116.55 110.41 1njj n ASP 364 Ca -0.01 -2.58 -0.33 0.00 -1.51 0.00 0.00 54.79 50.36 1njj n ASP 364 Cb 0.53 -1.21 -0.14 0.00 2.34 0.00 0.00 41.12 42.64 1njj n ASP 364 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1njj s GLN 365 N 4.03 3.27 -0.24 -0.67 0.74 -1.26 -0.92 119.66 124.62 1njj s GLN 365 Ca 0.51 -0.66 -0.18 0.00 0.05 0.00 0.00 55.36 55.08 1njj s GLN 365 Cb 0.13 -2.63 -0.15 0.00 1.10 0.00 0.00 33.01 31.46 1njj s GLN 365 CO 0.03 0.30 -0.07 -0.89 -0.55 0.00 0.00 175.29 174.10 1njj n ILE 366 N 3.29 1.53 -4.68 -2.34 5.41 -1.00 -4.83 119.36 116.74 1njj n ILE 366 Ca -0.18 -0.18 -0.26 0.00 1.00 0.00 0.00 62.75 63.14 1njj n ILE 366 Cb 0.53 -1.99 -0.14 0.00 -0.71 0.00 0.00 39.64 37.33 1njj n ILE 366 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1njj s VAL 367 N -2.44 1.68 -0.06 1.39 1.01 -1.11 -4.79 120.40 116.08 1njj s VAL 367 Ca -0.33 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1njj s VAL 367 Cb 0.10 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1njj s VAL 367 CO 0.53 0.23 -0.08 -0.08 0.00 0.00 0.00 175.10 175.70 1njj h GLU 368 N 4.92 0.00 -2.12 2.72 4.57 -1.86 -2.57 114.58 120.24 1njj h GLU 368 Ca -0.42 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 57.36 1njj h GLU 368 Cb 1.16 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 29.42 1njj h GLU 368 CO 0.44 0.00 -0.70 0.50 -1.18 0.00 0.00 179.01 178.07 1njj s ARG 369 N -1.56 0.53 -0.07 1.92 3.52 -1.21 -4.14 118.95 117.95 1njj s ARG 369 Ca -0.06 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 1njj s ARG 369 Cb 0.01 -0.81 0.01 0.00 -1.56 0.00 0.00 34.95 32.59 1njj s ARG 369 CO 0.10 -1.15 -0.16 -0.47 -0.81 0.00 0.00 175.30 172.80 1njj s TYR 370 N 1.62 1.76 -0.15 5.12 5.04 -0.86 -4.82 117.35 125.06 1njj s TYR 370 Ca 0.15 -0.64 -0.29 0.00 -2.44 0.00 0.00 57.07 53.85 1njj s TYR 370 Cb -0.16 -1.23 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 1njj s TYR 370 CO -0.11 -0.28 1.44 0.71 -1.34 0.00 0.00 175.55 175.97 1njj s TYR 371 N 0.44 2.45 0.12 4.97 1.51 -1.26 -0.94 117.35 124.64 1njj s TYR 371 Ca -0.13 0.67 0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1njj s TYR 371 Cb -0.15 -3.74 -0.04 0.00 -0.11 0.00 0.00 41.96 37.91 1njj s TYR 371 CO 0.05 -2.56 -0.04 -0.51 -1.11 0.00 0.00 175.55 171.38 1njj s LEU 372 N 4.02 2.35 0.76 -1.29 1.43 -0.76 -4.85 118.68 120.35 1njj s LEU 372 Ca 0.63 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1njj s LEU 372 Cb -0.25 -0.05 0.05 0.00 0.03 0.00 0.00 46.19 45.97 1njj s LEU 372 CO 0.22 -0.51 1.08 -2.16 0.23 0.00 0.00 176.35 175.21 1njj s PRO 373 N -3.87 2.36 0.11 1.29 0.04 -1.26 -0.97 135.00 132.70 1njj s PRO 373 Ca 0.16 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1njj s PRO 373 Cb 0.06 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1njj s PRO 373 CO -0.02 -1.46 1.60 -2.00 0.04 0.00 0.00 177.00 175.16 1njj s GLU 374 N -5.11 4.21 0.46 4.56 2.12 -1.26 -4.86 118.70 118.82 1njj s GLU 374 Ca 0.60 2.32 0.08 0.00 0.36 0.00 0.00 54.97 58.33 1njj s GLU 374 Cb -0.14 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1njj s GLU 374 CO 0.55 -0.66 0.50 -1.64 -0.54 0.00 0.00 175.26 173.47 1njj s MET 375 N 1.92 2.56 -0.01 4.30 -1.94 -1.26 -5.13 119.30 119.74 1njj s MET 375 Ca 0.72 -1.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1njj s MET 375 Cb -0.41 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1njj s MET 375 CO 0.32 -0.36 -0.02 -0.65 -0.01 0.00 0.00 175.02 174.29 1njj s GLN 376 N -4.30 0.26 0.14 2.03 -1.52 -1.26 -5.09 119.66 109.93 1njj s GLN 376 Ca 0.51 -0.07 -0.33 0.00 -1.95 0.00 0.00 55.36 53.52 1njj s GLN 376 Cb -0.06 -0.29 -0.17 0.00 -0.22 0.00 0.00 33.01 32.27 1njj s GLN 376 CO 0.30 0.02 0.96 0.28 -0.25 0.00 0.00 175.29 176.61 1njj n VAL 377 N 3.25 1.00 0.00 1.09 0.31 -1.26 -0.32 118.33 122.39 1njj n VAL 377 Ca -0.16 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1njj n VAL 377 Cb 0.57 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1njj n VAL 377 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1njj n GLY 378 N 1.84 2.63 3.84 2.92 0.00 0.67 -5.01 105.19 112.09 1njj n GLY 378 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1njj n GLY 378 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1njj s GLU 379 N -0.87 4.11 0.33 1.61 2.02 0.56 -4.76 118.70 121.70 1njj s GLU 379 Ca 0.00 0.80 -0.10 0.00 0.02 0.00 0.00 54.97 55.69 1njj s GLU 379 Cb 0.00 -2.49 -0.07 0.00 0.10 0.00 0.00 34.13 31.67 1njj s GLU 379 CO 0.00 0.18 0.68 -1.58 0.02 0.00 0.00 175.26 174.55 1njj s TRP 380 N -1.91 3.44 -0.02 1.61 0.52 -1.26 -0.87 118.94 120.45 1njj s TRP 380 Ca 0.53 0.96 0.04 0.00 0.02 0.00 0.00 56.10 57.65 1njj s TRP 380 Cb -0.12 -2.36 -0.00 0.00 -1.15 0.00 0.00 33.47 29.84 1njj s TRP 380 CO 0.18 0.06 -0.12 -0.51 0.02 0.00 0.00 176.95 176.57 1njj s LEU 381 N -3.43 1.93 0.11 2.99 1.43 0.14 -3.46 118.68 118.39 1njj s LEU 381 Ca 0.50 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1njj s LEU 381 Cb -0.11 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1njj s LEU 381 CO 0.26 0.13 -0.11 -0.76 0.23 0.00 0.00 176.35 176.10 1njj s LEU 382 N -0.08 3.00 -0.12 1.79 1.43 0.11 -0.10 118.68 124.71 1njj s LEU 382 Ca 0.01 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1njj s LEU 382 Cb -0.07 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.39 1njj s LEU 382 CO 0.00 0.17 -0.00 -0.36 0.23 0.00 0.00 176.35 176.39 1njj s PHE 383 N -1.24 0.93 0.38 0.29 0.40 0.12 -0.02 117.98 118.83 1njj s PHE 383 Ca 0.21 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1njj s PHE 383 Cb -0.11 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 1njj s PHE 383 CO 0.13 -0.45 0.58 -1.21 0.70 0.00 0.00 175.22 174.97 1njj s GLU 384 N 1.89 3.29 -1.00 0.44 2.02 -1.26 0.71 118.70 124.78 1njj s GLU 384 Ca 0.03 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 1njj s GLU 384 Cb -0.14 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.38 1njj s GLU 384 CO -0.07 0.00 0.87 -0.25 0.02 0.00 0.00 175.26 175.83 1njj n ASP 385 N -1.86 -5.59 -2.08 -0.19 8.00 -0.92 -4.86 116.55 109.04 1njj n ASP 385 Ca -0.02 -0.65 -0.08 0.00 0.71 0.00 0.00 54.79 54.76 1njj n ASP 385 Cb 0.57 -4.87 0.06 0.00 -0.02 0.00 0.00 41.12 36.85 1njj n ASP 385 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1njj n MET 386 N -3.24 2.18 -0.00 -1.24 2.81 -0.50 -4.77 117.12 112.35 1njj n MET 386 Ca -0.10 -3.53 0.08 0.00 -1.81 0.00 0.00 57.70 52.34 1njj n MET 386 Cb 0.62 -1.65 -0.12 0.00 -0.71 0.00 0.00 33.22 31.37 1njj n MET 386 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1njj n GLY 387 N -0.56 -0.70 3.55 3.03 0.00 -0.82 -4.73 105.19 104.96 1njj n GLY 387 Ca 0.22 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1njj n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1njj s ALA 388 N -2.89 3.50 -1.16 4.61 0.00 -1.26 -4.52 121.76 120.04 1njj s ALA 388 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 1njj s ALA 388 Cb 0.12 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1njj s ALA 388 CO 0.71 -1.02 0.84 0.66 0.00 0.00 0.00 175.76 176.96 1njj n TYR 389 N 5.33 -2.15 0.00 0.00 4.02 0.11 -4.93 117.16 119.53 1njj n TYR 389 Ca -0.10 0.77 0.00 0.00 -0.01 0.00 0.00 57.90 58.56 1njj n TYR 389 Cb 0.50 -4.17 0.00 0.00 -0.02 0.00 0.00 39.34 35.65 1njj n TYR 389 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1njj n THR 390 N -3.85 0.00 -3.82 -0.72 -2.24 -1.26 -4.31 114.28 98.07 1njj n THR 390 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1njj n THR 390 Cb 0.64 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1njj n THR 390 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1njj n VAL 391 N -0.41 0.00 0.00 2.28 0.24 -1.26 -4.15 118.33 115.03 1njj n VAL 391 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1njj n VAL 391 Cb 0.02 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1njj n VAL 391 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1njj n PHE 400 N 0.00 0.00 -4.28 6.34 3.72 -1.26 -4.46 117.46 117.52 1njj n PHE 400 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1njj n PHE 400 Cb 0.00 -0.35 -0.10 0.00 -0.94 0.00 0.00 39.48 38.09 1njj n PHE 400 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1njj s GLN 401 N 2.47 2.17 5.62 -1.08 0.74 -1.26 -4.74 119.66 123.59 1njj s GLN 401 Ca 0.00 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.42 1njj s GLN 401 Cb 0.00 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.79 1njj s GLN 401 CO 0.00 0.52 0.00 0.45 -0.55 0.00 0.00 175.29 175.71 1njj n SER 402 N 0.85 0.00 -4.73 6.67 2.88 -1.26 -4.59 113.62 113.44 1njj n SER 402 Ca -0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1njj n SER 402 Cb 0.52 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.07 1njj n SER 402 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1njj s PRO 403 N 0.00 2.25 0.20 -1.46 0.02 -1.26 -4.96 135.00 129.79 1njj s PRO 403 Ca 0.00 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 1njj s PRO 403 Cb 0.00 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 1njj s PRO 403 CO 0.00 -1.72 0.91 0.99 -0.33 0.00 0.00 177.00 176.85 1njj s THR 404 N -2.11 4.20 -0.18 0.99 2.01 -1.25 -4.81 115.64 114.49 1njj s THR 404 Ca 0.72 2.02 -0.07 0.00 0.31 0.00 0.00 61.69 64.67 1njj s THR 404 Cb -0.27 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1njj s THR 404 CO 0.45 0.47 0.06 -0.63 -0.69 0.00 0.00 174.62 174.28 1njj s ILE 405 N -0.96 4.74 -0.11 1.82 1.01 -1.26 -0.86 121.20 125.58 1njj s ILE 405 Ca 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1njj s ILE 405 Cb -0.25 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1njj s ILE 405 CO 0.31 0.47 -0.10 -0.31 0.00 0.00 0.00 174.94 175.30 1njj s TYR 406 N 0.34 2.87 -0.09 3.97 1.51 0.12 -4.94 117.35 121.12 1njj s TYR 406 Ca 0.03 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1njj s TYR 406 Cb -0.12 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1njj s TYR 406 CO 0.00 0.01 0.04 0.71 -1.11 0.00 0.00 175.55 175.20 1njj s TYR 407 N -0.07 3.28 0.02 2.71 1.51 -1.26 -0.50 117.35 123.04 1njj s TYR 407 Ca -0.01 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 1njj s TYR 407 Cb -0.14 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1njj s TYR 407 CO 0.03 0.55 -0.14 0.54 -1.11 0.00 0.00 175.55 175.42 1njj s VAL 408 N -0.93 1.07 0.00 0.71 0.11 0.43 -4.93 120.40 116.86 1njj s VAL 408 Ca 0.14 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 1njj s VAL 408 Cb -0.12 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1njj s VAL 408 CO 0.03 0.13 0.48 1.33 -3.33 0.00 0.00 175.10 173.74