#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 1.41 0.00 -0.44 2.02 -1.99 0.43 112.91 114.34 1njj h THR 21 Ca 0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1njj h THR 21 Cb 0.00 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1njj h THR 21 CO 0.00 0.47 0.12 0.54 0.37 0.00 0.00 175.52 177.02 1njj n ARG 22 N -4.66 0.00 0.00 6.66 1.74 -1.26 -2.76 116.66 116.38 1njj n ARG 22 Ca -0.08 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1njj n ARG 22 Cb 0.37 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1njj n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1njj n ASP 23 N -1.16 0.23 0.00 0.55 8.00 -1.19 -4.55 116.55 118.42 1njj n ASP 23 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1njj n ASP 23 Cb 0.12 0.03 0.28 0.00 -0.02 0.00 0.00 41.12 41.53 1njj n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1njj n ALA 24 N -0.49 1.62 0.08 2.24 0.00 0.15 -0.45 120.51 123.66 1njj n ALA 24 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1njj n ALA 24 Cb 0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 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 0.59 -4.51 0.00 4.07 -1.78 -3.29 115.31 110.38 1njj h LEU 25 Ca 0.00 -0.85 -0.59 0.00 0.08 0.00 0.00 57.88 56.51 1njj h LEU 25 Cb 0.21 -0.19 -0.22 0.00 1.08 0.00 0.00 40.66 41.54 1njj h LEU 25 CO 0.00 1.71 0.69 0.00 -1.08 0.00 0.00 178.44 179.76 1njj n LYS 27 N 0.12 0.00 0.00 0.00 5.02 -0.79 -4.84 118.16 117.67 1njj n LYS 27 Ca 0.50 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.92 1njj n LYS 27 Cb 0.46 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.85 1njj n LYS 27 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1njj n LYS 28 N -3.34 1.54 -2.10 1.97 2.85 -1.25 -3.75 118.16 114.09 1njj n LYS 28 Ca 0.00 -1.01 -0.39 0.00 -1.05 0.00 0.00 58.31 55.87 1njj n LYS 28 Cb 0.00 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1njj n LYS 28 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1njj n ILE 29 N 0.15 5.17 -2.48 0.58 5.41 -1.22 -5.12 119.36 121.85 1njj n ILE 29 Ca 0.16 -4.60 -0.01 0.00 1.00 0.00 0.00 62.75 59.30 1njj n ILE 29 Cb 0.40 -1.84 0.02 0.00 -0.71 0.00 0.00 39.64 37.51 1njj n ILE 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1njj n SER 30 N 1.05 0.15 -2.62 4.38 3.41 -1.25 -5.01 113.62 113.72 1njj n SER 30 Ca 0.57 -2.05 -0.08 0.00 -0.26 0.00 0.00 58.87 57.05 1njj n SER 30 Cb 0.28 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.28 2.90 3.78 5.00 0.00 -1.26 -5.15 105.19 110.19 1njj n GLY 37 Ca -0.07 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.62 6.65 0.65 1.61 1.01 -1.26 -4.45 116.67 117.27 1njj s ASP 38 Ca 0.33 2.10 -0.17 0.00 0.71 0.00 0.00 52.55 55.52 1njj s ASP 38 Cb 0.37 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1njj s ASP 38 CO -0.02 -0.57 1.21 -2.16 0.21 0.00 0.00 175.17 173.84 1njj s PRO 39 N -2.50 2.64 0.05 8.23 0.04 -1.26 -4.88 135.00 137.31 1njj s PRO 39 Ca 0.58 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1njj s PRO 39 Cb -0.24 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1njj s PRO 39 CO 0.30 -1.46 0.25 -0.59 0.04 0.00 0.00 177.00 175.53 1njj s PHE 40 N -1.76 -0.01 -0.10 0.56 -0.12 -0.56 -3.96 117.98 112.03 1njj s PHE 40 Ca 0.76 -0.19 -0.04 0.00 -0.05 0.00 0.00 56.93 57.41 1njj s PHE 40 Cb -0.30 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1njj s PHE 40 CO 0.38 -0.48 0.06 -0.06 -0.05 0.00 0.00 175.22 175.08 1njj s PHE 41 N -2.70 3.36 -0.26 3.49 2.99 0.10 -0.88 117.98 124.08 1njj s PHE 41 Ca -0.04 0.34 0.01 0.00 0.00 0.00 0.00 56.93 57.24 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 -0.04 0.58 -0.08 0.08 -0.00 0.00 0.00 175.22 175.76 1njj s VAL 42 N -0.93 2.47 -0.25 -0.44 1.01 -0.15 0.53 120.40 122.64 1njj s VAL 42 Ca 0.14 -1.41 -0.08 0.00 0.00 0.00 0.00 61.98 60.63 1njj s VAL 42 Cb -0.12 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1njj s VAL 42 CO 0.03 0.04 0.09 0.00 0.00 0.00 0.00 175.10 175.26 1njj s ALA 43 N 1.19 3.24 -0.88 5.51 0.00 0.16 -1.60 121.76 129.38 1njj s ALA 43 Ca -0.05 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 1njj s ALA 43 Cb -0.19 -2.13 0.16 0.00 0.00 0.00 0.00 23.12 20.97 1njj s ALA 43 CO -0.05 -0.43 0.98 0.34 0.00 0.00 0.00 175.76 176.60 1njj s ASP 44 N 1.52 6.67 0.36 0.00 2.15 0.42 0.09 116.67 127.87 1njj s ASP 44 Ca 0.06 -2.28 0.10 0.00 0.43 0.00 0.00 52.55 50.86 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 0.05 -0.88 1.84 -0.07 -0.17 0.00 0.00 175.17 175.94 1njj h LEU 45 N 9.39 0.64 -2.06 -1.34 3.38 -1.43 0.25 115.31 124.15 1njj h LEU 45 Ca 0.13 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 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 0.18 1.23 0.09 0.00 0.00 178.44 181.19 1njj h GLY 46 N 0.65 0.00 2.00 0.83 0.00 -1.85 0.15 103.07 104.86 1njj h GLY 46 Ca 0.49 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 -0.07 -1.80 0.00 0.00 0.00 176.54 174.43 1njj h ASP 47 N 0.00 0.00 0.04 0.19 3.58 -1.29 -1.70 116.42 117.24 1njj h ASP 47 Ca 0.11 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1njj h ASP 47 Cb 0.46 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1njj h ASP 47 CO -0.00 0.07 -0.25 0.40 -2.88 0.00 0.00 179.24 176.58 1njj h ILE 48 N 0.00 1.68 -0.72 2.25 2.04 -0.78 -2.38 117.51 119.60 1njj h ILE 48 Ca -0.00 -2.31 0.13 0.00 1.00 0.00 0.00 64.86 63.68 1njj h ILE 48 Cb 0.48 3.23 -0.05 0.00 -0.74 0.00 0.00 36.82 39.74 1njj h ILE 48 CO 0.01 0.62 0.48 0.58 0.00 0.00 0.00 178.15 179.84 1njj h VAL 49 N -0.75 0.84 -0.05 1.67 2.07 -1.16 0.14 116.25 119.01 1njj h VAL 49 Ca -0.04 -0.16 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 1njj h VAL 49 Cb 1.15 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1njj h VAL 49 CO 0.05 0.08 -0.80 0.03 0.02 0.00 0.00 177.57 176.95 1njj h ARG 50 N 0.46 0.39 -0.65 1.57 3.08 -1.35 -2.73 114.38 115.15 1njj h ARG 50 Ca 0.35 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1njj h ARG 50 Cb 0.72 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1njj h ARG 50 CO -0.11 1.01 0.24 0.87 -1.07 0.00 0.00 179.97 180.90 1njj h LYS 51 N 0.25 0.97 0.35 0.04 1.79 -0.23 -2.52 116.57 117.23 1njj h LYS 51 Ca -0.04 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 1njj h LYS 51 Cb 1.40 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1njj h LYS 51 CO 0.14 0.81 -0.17 1.25 -1.08 0.00 0.00 179.45 180.39 1njj h HIS 52 N 0.95 -0.44 -0.94 -1.35 2.76 -1.11 -2.17 115.15 112.85 1njj h HIS 52 Ca 0.22 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.58 1njj h HIS 52 Cb 0.21 0.15 -0.11 0.00 1.55 0.00 0.00 27.41 29.21 1njj h HIS 52 CO 0.02 -0.15 0.51 0.93 -1.30 0.00 0.00 177.93 177.94 1njj h GLU 53 N -0.70 0.58 0.00 5.26 4.39 -1.38 0.63 114.58 123.36 1njj h GLU 53 Ca -0.05 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1njj h GLU 53 Cb 0.49 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1njj h GLU 53 CO 0.08 0.38 -0.27 1.15 -1.16 0.00 0.00 179.01 179.19 1njj h THR 54 N 0.60 0.86 0.10 1.13 2.02 -1.32 -2.30 112.91 114.00 1njj h THR 54 Ca 0.56 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1njj h THR 54 Cb 0.96 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1njj h THR 54 CO -0.44 0.27 -0.05 -0.25 0.37 0.00 0.00 175.52 175.42 1njj h TRP 55 N 0.00 -0.13 -0.01 3.16 2.91 0.82 -1.54 115.95 121.17 1njj h TRP 55 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 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 0.27 0.87 -1.03 0.00 0.00 178.44 178.87 1njj h LYS 56 N -0.94 0.00 0.01 2.65 1.57 -0.84 0.20 116.57 119.22 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 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1njj h LYS 56 CO 0.02 0.00 -1.36 1.17 -0.57 0.00 0.00 179.45 178.71 1njj n LYS 57 N -2.94 0.58 0.16 3.15 3.00 -0.87 -3.48 118.16 117.75 1njj n LYS 57 Ca -0.02 0.55 0.12 0.00 -0.00 0.00 0.00 58.31 58.96 1njj n LYS 57 Cb 0.33 -1.74 0.26 0.00 0.00 0.00 0.00 35.03 33.88 1njj n LYS 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1njj n LEU 59 N -2.68 -0.62 0.12 0.00 4.77 0.64 -4.72 117.00 114.50 1njj n LEU 59 Ca 0.04 -4.33 0.03 0.00 -0.03 0.00 0.00 56.01 51.73 1njj n LEU 59 Cb 0.48 0.68 0.42 0.00 -2.33 0.00 0.00 43.42 42.67 1njj n LEU 59 CO 0.33 2.03 0.95 1.55 -1.33 0.00 0.00 177.39 180.92 1njj h PRO 60 N 4.17 0.26 0.00 3.23 0.13 -1.71 -2.90 132.00 135.17 1njj h PRO 60 Ca 0.04 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1njj h PRO 60 Cb 0.92 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1njj h PRO 60 CO 0.41 0.33 -0.10 0.00 -0.23 0.00 0.00 178.00 178.42 1njj h ARG 61 N 0.25 0.00 -4.94 0.86 3.08 -1.94 -3.45 114.38 108.25 1njj h ARG 61 Ca 0.06 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.47 1njj h ARG 61 Cb 0.27 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.15 1njj h ARG 61 CO 0.01 0.00 -0.50 0.08 -1.07 0.00 0.00 179.97 178.49 1njj s VAL 62 N -3.15 5.31 -0.10 2.04 1.01 -1.10 -4.33 120.40 120.08 1njj s VAL 62 Ca 0.09 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 1njj s VAL 62 Cb 0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1njj s VAL 62 CO 0.64 0.26 0.69 -0.89 0.00 0.00 0.00 175.10 175.79 1njj s THR 63 N 1.69 5.04 0.01 3.92 2.01 -0.25 -4.89 115.64 123.17 1njj s THR 63 Ca 0.08 1.39 -0.25 0.00 0.31 0.00 0.00 61.69 63.21 1njj s THR 63 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1njj s THR 63 CO 0.10 0.21 0.76 -2.16 -0.69 0.00 0.00 174.62 172.85 1njj s PRO 64 N 1.09 4.48 -0.31 4.92 0.04 -1.26 -1.33 135.00 142.64 1njj s PRO 64 Ca 0.35 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1njj s PRO 64 Cb -0.17 -3.39 0.08 0.00 0.04 0.00 0.00 34.50 31.05 1njj s PRO 64 CO 0.16 0.20 -0.01 -0.06 0.04 0.00 0.00 177.00 177.32 1njj s PHE 65 N 0.27 3.48 -0.04 0.56 0.40 0.38 0.22 117.98 123.26 1njj s PHE 65 Ca 0.39 -2.53 -0.30 0.00 -0.60 0.00 0.00 56.93 53.90 1njj s PHE 65 Cb -0.20 -2.44 -0.07 0.00 0.51 0.00 0.00 43.02 40.82 1njj s PHE 65 CO 0.22 -0.90 1.81 -0.47 0.70 0.00 0.00 175.22 176.57 1njj s TYR 66 N 1.05 1.66 -0.97 0.36 5.04 0.41 -3.00 117.35 121.90 1njj s TYR 66 Ca 0.01 -0.01 -0.24 0.00 -2.44 0.00 0.00 57.07 54.38 1njj s TYR 66 Cb -0.20 -4.05 -0.07 0.00 0.35 0.00 0.00 41.96 37.99 1njj s TYR 66 CO -0.06 -4.46 2.00 0.00 -1.34 0.00 0.00 175.55 171.70 1njj s ALA 67 N 4.58 1.55 0.53 3.97 0.00 -0.38 0.04 121.76 132.04 1njj s ALA 67 Ca 0.81 -1.60 0.42 0.00 0.00 0.00 0.00 51.96 51.59 1njj s ALA 67 Cb -0.36 -4.60 1.61 0.00 0.00 0.00 0.00 23.12 19.78 1njj s ALA 67 CO 0.34 -5.13 1.67 0.28 0.00 0.00 0.00 175.76 172.92 1njj h VAL 68 N 7.01 0.18 -0.22 0.00 2.07 -1.82 -0.36 116.25 123.11 1njj h VAL 68 Ca 0.11 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1njj h VAL 68 Cb 0.99 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1njj h VAL 68 CO 1.18 0.00 0.18 0.07 0.02 0.00 0.00 177.57 179.02 1njj h LYS 69 N 0.03 0.00 -0.56 1.57 2.10 -1.87 -2.70 116.57 115.13 1njj h LYS 69 Ca 0.78 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.36 1njj h LYS 69 Cb 3.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 34.32 1njj h LYS 69 CO -0.08 0.00 0.07 0.00 -2.00 0.00 0.00 179.45 177.44 1njj s ASN 71 N -6.58 -0.56 -0.40 0.00 3.04 -1.03 0.15 114.94 109.56 1njj s ASN 71 Ca -0.10 0.42 0.06 0.00 0.04 0.00 0.00 52.86 53.28 1njj s ASN 71 Cb 0.15 1.50 0.71 0.00 -1.54 0.00 0.00 41.25 42.06 1njj s ASN 71 CO 0.82 -0.11 1.88 -0.90 -3.04 0.00 0.00 177.10 175.76 1njj n ASP 72 N 5.37 4.23 -4.77 -4.21 3.85 -1.19 -4.82 116.55 115.01 1njj n ASP 72 Ca -0.07 -3.45 -0.41 0.00 -0.71 0.00 0.00 54.79 50.15 1njj n ASP 72 Cb 0.53 -0.80 -0.01 0.00 -1.35 0.00 0.00 41.12 39.49 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 -1.18 6.46 0.17 -1.12 -1.08 -1.26 -4.85 116.67 113.80 1njj s ASP 73 Ca 0.56 2.95 -0.15 0.00 -0.52 0.00 0.00 52.55 55.40 1njj s ASP 73 Cb 0.47 -2.66 0.12 0.00 -1.46 0.00 0.00 42.92 39.38 1njj s ASP 73 CO 0.12 -0.79 1.73 -0.25 0.52 0.00 0.00 175.17 176.50 1njj h TRP 74 N 3.23 0.14 -0.16 -5.34 2.91 -1.99 -0.49 115.95 114.24 1njj h TRP 74 Ca -0.50 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.44 1njj h TRP 74 Cb 1.23 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.87 1njj h TRP 74 CO 0.54 0.01 -0.37 0.00 -1.03 0.00 0.00 178.44 177.60 1njj h ARG 75 N 0.22 0.35 -0.44 2.65 -0.00 -1.98 -0.30 114.38 114.87 1njj h ARG 75 Ca 0.20 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.98 59.48 1njj h ARG 75 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 1njj h ARG 75 CO -0.26 0.67 0.12 0.28 0.00 0.00 0.00 179.97 180.78 1njj h VAL 76 N 0.30 1.23 -0.15 2.04 2.07 -1.74 0.16 116.25 120.17 1njj h VAL 76 Ca 0.03 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1njj h VAL 76 Cb 0.79 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1njj h VAL 76 CO 0.06 0.28 -0.08 -0.07 0.02 0.00 0.00 177.57 177.78 1njj h LEU 77 N 0.58 0.32 -0.87 2.57 3.38 -0.90 -1.84 115.31 118.56 1njj h LEU 77 Ca 0.14 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1njj h LEU 77 Cb 0.31 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1njj h LEU 77 CO 0.00 0.68 0.56 1.23 0.09 0.00 0.00 178.44 181.00 1njj h GLY 78 N -0.03 1.23 0.94 0.83 0.00 -0.96 0.24 103.07 105.33 1njj h GLY 78 Ca 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1njj h GLY 78 CO 0.02 0.46 0.11 -0.84 0.00 0.00 0.00 176.54 176.30 1njj h THR 79 N 1.18 1.11 -0.51 4.70 2.02 -0.65 -0.37 112.91 120.40 1njj h THR 79 Ca 0.32 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1njj h THR 79 Cb -0.11 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1njj h THR 79 CO -0.07 0.11 0.05 -0.07 0.37 0.00 0.00 175.52 175.92 1njj h LEU 80 N 0.22 0.78 0.48 2.58 3.38 -0.90 -1.99 115.31 119.87 1njj h LEU 80 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1njj h LEU 80 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1njj h LEU 80 CO -0.01 0.81 -0.23 0.00 0.09 0.00 0.00 178.44 179.10 1njj h ALA 81 N 1.28 -0.65 -0.70 1.53 0.00 -0.10 -1.99 119.26 118.63 1njj h ALA 81 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1njj h ALA 81 Cb 0.39 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1njj h ALA 81 CO 0.01 -0.86 0.47 0.00 0.00 0.00 0.00 179.25 178.87 1njj h ALA 82 N -0.13 2.09 0.00 0.00 0.00 -0.89 0.36 119.26 120.70 1njj h ALA 82 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1njj h ALA 82 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1njj h ALA 82 CO 0.11 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1njj n LEU 83 N -4.47 0.00 -1.31 0.00 4.77 -0.76 -4.84 117.00 110.38 1njj n LEU 83 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 1njj n LEU 83 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1njj n LEU 83 CO 0.33 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.96 1njj n GLY 84 N 0.31 0.08 3.96 -0.72 0.00 0.13 -5.04 105.19 103.92 1njj n GLY 84 Ca 0.08 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.68 4.07 0.31 2.61 -1.32 -0.79 -4.98 115.64 112.86 1njj s THR 85 Ca 0.08 -0.60 0.07 0.00 -1.21 0.00 0.00 61.69 60.03 1njj s THR 85 Cb -0.04 -3.48 -0.02 0.00 -1.51 0.00 0.00 72.50 67.45 1njj s THR 85 CO 0.10 -0.31 0.38 -0.83 -2.21 0.00 0.00 174.62 171.76 1njj s GLY 86 N -4.20 1.57 -0.11 6.08 0.00 0.13 -4.70 107.32 106.10 1njj s GLY 86 Ca 0.47 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1njj s GLY 86 CO 0.36 -1.42 -0.23 -1.36 0.00 0.00 0.00 173.10 170.45 1njj s PHE 87 N -2.18 2.58 -0.76 1.90 0.40 0.46 0.15 117.98 120.53 1njj s PHE 87 Ca 0.41 -1.07 -0.17 0.00 -0.60 0.00 0.00 56.93 55.50 1njj s PHE 87 Cb -0.08 -1.73 0.15 0.00 0.51 0.00 0.00 43.02 41.88 1njj s PHE 87 CO 0.29 -0.43 0.83 0.34 0.70 0.00 0.00 175.22 176.94 1njj s ASP 88 N 0.39 6.51 0.08 1.36 2.15 0.11 -1.74 116.67 125.53 1njj s ASP 88 Ca -0.17 -2.07 -0.17 0.00 0.43 0.00 0.00 52.55 50.57 1njj s ASP 88 Cb -0.18 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1njj s ASP 88 CO 0.08 -0.89 0.53 0.00 -0.17 0.00 0.00 175.17 174.71 1njj n ALA 90 N 1.44 2.07 -3.52 0.00 0.00 -1.26 -1.84 120.51 117.40 1njj n ALA 90 Ca -0.10 -1.52 -0.09 0.00 0.00 0.00 0.00 53.44 51.74 1njj n ALA 90 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.59 -0.25 0.34 0.00 1.04 -1.26 -4.70 113.70 107.28 1njj s SER 91 Ca 0.10 -0.59 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1njj s SER 91 Cb 0.09 0.64 0.62 0.00 0.10 0.00 0.00 66.02 67.48 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 0.28 -0.14 7.02 -1.07 -1.97 -2.48 115.58 119.33 1njj h ASN 92 Ca -0.25 -0.08 -0.20 0.00 0.07 0.00 0.00 56.30 55.84 1njj h ASN 92 Cb 1.26 -0.07 0.01 0.00 -2.07 0.00 0.00 38.32 37.44 1njj h ASN 92 CO 0.31 0.52 -0.70 0.71 0.07 0.00 0.00 177.43 178.34 1njj h THR 93 N 0.26 1.30 -0.84 6.14 1.35 -1.98 -1.49 112.91 117.65 1njj h THR 93 Ca 0.04 -1.93 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1njj h THR 93 Cb 0.55 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 1njj h THR 93 CO 0.04 0.60 0.47 -0.33 -0.25 0.00 0.00 175.52 176.05 1njj h GLU 94 N 0.43 1.16 -0.32 4.72 5.08 -1.94 0.14 114.58 123.86 1njj h GLU 94 Ca -0.05 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1njj h GLU 94 Cb 1.33 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1njj h GLU 94 CO 0.14 0.84 0.04 0.82 -1.00 0.00 0.00 179.01 179.86 1njj h ILE 95 N 1.17 1.24 -0.76 3.13 2.04 -1.38 -0.55 117.51 122.39 1njj h ILE 95 Ca 0.30 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1njj h ILE 95 Cb 0.01 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1njj h ILE 95 CO -0.05 0.28 0.48 -0.61 0.00 0.00 0.00 178.15 178.25 1njj h GLN 96 N 0.35 1.02 0.36 2.37 4.15 -0.67 0.11 115.11 122.79 1njj h GLN 96 Ca 0.09 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1njj h GLN 96 Cb 0.37 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1njj h GLN 96 CO 0.01 0.70 -0.17 -0.09 -1.93 0.00 0.00 178.83 177.35 1njj h ARG 97 N 1.04 -0.46 -0.27 1.69 2.43 -0.42 -0.96 114.38 117.43 1njj h ARG 97 Ca 0.28 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1njj h ARG 97 Cb -0.07 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1njj h ARG 97 CO -0.06 -0.16 0.14 0.28 -1.51 0.00 0.00 179.97 178.67 1njj h VAL 98 N -0.77 1.01 -0.03 0.20 2.07 -0.91 0.00 116.25 117.82 1njj h VAL 98 Ca -0.05 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1njj h VAL 98 Cb 0.51 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1njj h VAL 98 CO 0.08 0.06 0.03 0.03 0.02 0.00 0.00 177.57 177.79 1njj h ARG 99 N 0.30 0.00 -0.05 1.57 2.47 -0.79 -2.20 114.38 115.69 1njj h ARG 99 Ca 0.11 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 1njj h ARG 99 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1njj h ARG 99 CO -0.07 0.00 -0.34 0.78 0.56 0.00 0.00 179.97 180.91 1njj h GLY 100 N 0.00 0.10 -2.67 0.04 0.00 0.45 -2.89 103.07 98.10 1njj h GLY 100 Ca 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1njj h GLY 100 CO -0.00 0.07 0.12 0.29 0.00 0.00 0.00 176.54 177.02 1njj n ILE 101 N -4.12 1.79 -0.33 2.60 -5.35 -0.83 -4.87 119.36 108.25 1njj n ILE 101 Ca -0.02 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 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 0.11 1.75 3.73 3.28 0.00 -1.09 -5.02 105.19 107.95 1njj n GLY 102 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.12 2.29 0.35 1.61 1.01 -1.21 -4.97 120.40 116.36 1njj s VAL 103 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1njj s VAL 103 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1njj s VAL 103 CO 0.00 0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.00 1njj s PRO 104 N 0.55 4.40 0.33 2.72 0.04 -1.26 -4.45 135.00 137.33 1njj s PRO 104 Ca 0.68 1.56 0.12 0.00 0.04 0.00 0.00 61.00 63.40 1njj s PRO 104 Cb -0.46 -2.79 1.03 0.00 0.04 0.00 0.00 34.50 32.31 1njj s PRO 104 CO 0.37 0.06 1.64 -1.35 0.04 0.00 0.00 177.00 177.76 1njj h PRO 105 N 3.04 0.21 -0.65 0.56 0.11 -1.87 -0.79 132.00 132.62 1njj h PRO 105 Ca -0.47 -0.01 0.15 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 32.24 1njj h PRO 105 CO 0.64 0.14 0.45 0.93 -0.21 0.00 0.00 178.00 179.95 1njj h GLU 106 N 0.22 0.21 -0.16 1.05 3.07 -1.93 -0.36 114.58 116.69 1njj h GLU 106 Ca 0.71 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 1njj h GLU 106 Cb 1.62 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1njj h GLU 106 CO -0.67 0.14 0.00 1.63 -1.40 0.00 0.00 179.01 178.71 1njj n LYS 107 N -4.43 1.37 -4.69 2.33 5.02 -0.30 -4.83 118.16 112.63 1njj n LYS 107 Ca 0.12 -0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 55.52 1njj n LYS 107 Cb 0.57 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.79 3.21 -0.18 -0.18 1.01 -0.15 -0.40 121.20 122.72 1njj s ILE 108 Ca 0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1njj s ILE 108 Cb 0.06 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1njj s ILE 108 CO 0.09 0.47 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 1njj s ILE 109 N -0.86 1.30 -1.22 2.92 1.01 -0.71 -4.59 121.20 119.04 1njj s ILE 109 Ca 0.14 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 1njj s ILE 109 Cb -0.11 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1njj s ILE 109 CO 0.04 0.13 1.76 -0.47 0.00 0.00 0.00 174.94 176.40 1njj s TYR 110 N 1.55 2.50 -0.52 3.97 6.14 -0.12 -2.09 117.35 128.77 1njj s TYR 110 Ca -0.00 -0.92 0.01 0.00 0.64 0.00 0.00 57.07 56.79 1njj s TYR 110 Cb -0.16 -4.53 0.05 0.00 0.42 0.00 0.00 41.96 37.74 1njj s TYR 110 CO -0.08 -1.67 0.80 0.00 0.64 0.00 0.00 175.55 175.24 1njj n ALA 111 N 10.19 2.63 -2.55 3.97 0.00 -0.77 -2.44 120.51 131.54 1njj n ALA 111 Ca 0.46 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 1njj n ALA 111 Cb 0.47 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 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 0.38 6.15 0.10 0.00 3.04 -1.26 -4.80 114.94 118.54 1njj s ASN 112 Ca 0.03 -0.20 -0.34 0.00 0.04 0.00 0.00 52.86 52.40 1njj s ASN 112 Cb 0.03 -2.18 -0.14 0.00 -1.54 0.00 0.00 41.25 37.42 1njj s ASN 112 CO 0.01 -0.28 1.58 -0.65 -3.04 0.00 0.00 177.10 174.72 1njj h PRO 113 N 8.43 -0.81 -4.13 0.43 0.11 -1.87 -3.38 132.00 130.79 1njj h PRO 113 Ca -0.31 0.05 -0.76 0.00 0.11 0.00 0.00 66.00 65.10 1njj h PRO 113 Cb 1.15 0.18 -0.24 0.00 0.11 0.00 0.00 31.00 32.21 1njj h PRO 113 CO 0.66 -0.54 -0.19 0.00 -0.21 0.00 0.00 178.00 177.72 1njj s LYS 115 N 1.65 2.98 0.07 0.00 1.02 -1.26 -5.08 119.74 119.11 1njj s LYS 115 Ca 0.04 -0.53 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 1njj s LYS 115 Cb -0.29 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1njj s LYS 115 CO 0.03 0.64 1.24 -1.14 -0.92 0.00 0.00 175.35 175.20 1njj s GLN 116 N -1.69 4.40 0.26 1.68 0.74 -1.26 -4.84 119.66 118.96 1njj s GLN 116 Ca 0.22 1.84 -0.07 0.00 0.05 0.00 0.00 55.36 57.39 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 0.13 -0.31 1.60 0.82 -0.55 0.00 0.00 175.29 176.98 1njj h ILE 117 N 4.49 0.19 0.00 -2.34 2.04 -1.98 0.70 117.51 120.61 1njj h ILE 117 Ca -0.41 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1njj h ILE 117 Cb 1.21 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1njj h ILE 117 CO 0.83 0.01 -0.01 0.77 0.00 0.00 0.00 178.15 179.74 1njj h SER 118 N 0.03 0.00 0.16 1.72 4.64 -1.98 0.10 113.55 118.22 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 -0.82 0.01 -0.07 0.45 -0.87 0.00 0.00 176.83 175.53 1njj h HIS 119 N 0.00 -0.19 -1.05 4.77 3.86 -0.04 -1.54 115.15 120.96 1njj h HIS 119 Ca -0.00 -0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.48 1njj h HIS 119 Cb 0.02 0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.46 1njj h HIS 119 CO 0.00 0.25 0.68 0.82 0.86 0.00 0.00 177.93 180.54 1njj h ILE 120 N -0.86 0.51 -0.58 2.45 2.04 -0.54 1.21 117.51 121.74 1njj h ILE 120 Ca -0.02 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1njj h ILE 120 Cb 0.53 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1njj h ILE 120 CO 0.04 0.06 -0.01 -0.09 0.00 0.00 0.00 178.15 178.15 1njj h ARG 121 N 0.35 1.03 -0.43 2.37 2.43 -0.69 -2.26 114.38 117.18 1njj h ARG 121 Ca 0.59 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1njj h ARG 121 Cb 1.58 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 1njj h ARG 121 CO -0.27 1.02 0.08 -0.92 -1.51 0.00 0.00 179.97 178.37 1njj h TYR 122 N 0.92 0.75 -0.14 2.20 3.20 0.24 -1.95 116.97 122.21 1njj h TYR 122 Ca 0.16 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1njj h TYR 122 Cb 0.56 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1njj h TYR 122 CO 0.04 0.72 -0.10 0.00 -1.64 0.00 0.00 178.16 177.18 1njj h ALA 123 N 0.94 0.01 -0.20 1.82 0.00 -0.83 -0.38 119.26 120.62 1njj h ALA 123 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1njj h ALA 123 Cb 0.37 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1njj h ALA 123 CO 0.01 -0.55 -0.25 -0.09 0.00 0.00 0.00 179.25 178.37 1njj h ARG 124 N -0.11 -0.27 0.00 0.00 2.43 -1.26 0.57 114.38 115.75 1njj h ARG 124 Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1njj h ARG 124 Cb 0.23 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1njj h ARG 124 CO -0.20 -0.18 0.00 -0.44 -1.51 0.00 0.00 179.97 177.64 1njj h ASP 125 N -0.28 0.00 0.08 -3.80 3.45 -0.97 -1.76 116.42 113.15 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 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1njj h ASP 125 CO -0.36 0.00 -0.43 -1.20 -1.57 0.00 0.00 179.24 175.68 1njj n SER 126 N -2.90 1.59 0.00 6.45 7.64 0.04 -4.95 113.62 121.49 1njj n SER 126 Ca -0.01 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1njj n SER 126 Cb 0.15 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.40 0.76 3.55 0.23 0.00 -0.50 -4.70 105.19 105.92 1njj n GLY 127 Ca 0.10 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 4.28 -1.74 1.61 1.01 -0.31 -4.58 120.40 118.39 1njj s VAL 128 Ca 0.00 0.57 0.19 0.00 0.00 0.00 0.00 61.98 62.74 1njj s VAL 128 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1njj s VAL 128 CO 0.00 -1.14 0.96 0.47 0.00 0.00 0.00 175.10 175.38 1njj n ASP 129 N 7.74 1.84 -4.47 3.32 8.00 -1.26 -4.10 116.55 127.61 1njj n ASP 129 Ca 0.05 -1.42 -0.37 0.00 0.71 0.00 0.00 54.79 53.76 1njj n ASP 129 Cb 0.48 0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 41.91 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 4.46 0.06 2.53 1.01 -1.26 0.41 120.40 125.53 1njj s VAL 130 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1njj s VAL 130 Cb 0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1njj s VAL 130 CO 0.46 0.33 -0.04 -0.04 0.00 0.00 0.00 175.10 175.81 1njj s MET 131 N 1.59 0.67 0.44 2.72 -1.94 -0.87 -0.95 119.30 120.95 1njj s MET 131 Ca 0.06 -1.21 0.08 0.00 -1.71 0.00 0.00 55.69 52.91 1njj s MET 131 Cb -0.15 0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.72 1njj s MET 131 CO 0.05 -0.07 0.41 0.95 -0.01 0.00 0.00 175.02 176.35 1njj s THR 132 N -3.59 2.57 0.06 2.05 -4.23 -1.02 -0.54 115.64 110.93 1njj s THR 132 Ca 0.07 -1.32 -0.27 0.00 -1.18 0.00 0.00 61.69 58.99 1njj s THR 132 Cb 0.05 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 71.10 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 -2.50 -0.28 0.00 3.99 -0.12 -0.60 -4.34 117.98 114.13 1njj s PHE 133 Ca 0.48 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1njj s PHE 133 Cb -0.04 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1njj s PHE 133 CO 0.28 -0.66 0.55 -0.40 -0.05 0.00 0.00 175.22 174.95 1njj n ASP 134 N -0.33 0.00 -3.56 1.98 3.85 -1.26 -0.14 116.55 117.09 1njj n ASP 134 Ca -0.08 -1.30 -0.14 0.00 -0.71 0.00 0.00 54.79 52.55 1njj n ASP 134 Cb 0.62 -0.06 -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 2.75 0.69 -0.88 0.00 2.07 -1.98 -2.85 116.25 116.05 1njj h VAL 136 Ca -0.31 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.31 1njj h VAL 136 Cb 1.21 0.57 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 1njj h VAL 136 CO 0.41 0.02 -0.35 -0.67 0.02 0.00 0.00 177.57 177.00 1njj n ASP 137 N -5.19 -0.58 -0.32 0.57 -0.08 -1.26 0.15 116.55 109.84 1njj n ASP 137 Ca 0.03 1.54 0.01 0.00 -1.51 0.00 0.00 54.79 54.87 1njj n ASP 137 Cb 0.22 -0.35 0.15 0.00 2.34 0.00 0.00 41.12 43.47 1njj n ASP 137 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1njj h GLU 138 N 0.00 0.98 -1.00 -0.67 4.57 -1.87 -1.24 114.58 115.35 1njj h GLU 138 Ca 0.30 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1njj h GLU 138 Cb 0.52 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 1njj h GLU 138 CO -0.88 0.65 0.66 -0.07 -1.18 0.00 0.00 179.01 178.19 1njj h LEU 139 N 1.01 1.14 -0.08 1.64 3.38 -0.31 0.48 115.31 122.57 1njj h LEU 139 Ca 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1njj h LEU 139 Cb 0.17 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1njj h LEU 139 CO -0.17 0.83 0.05 -0.33 0.09 0.00 0.00 178.44 178.90 1njj h GLU 140 N 1.35 0.10 -0.63 1.13 5.08 -0.27 0.16 114.58 121.51 1njj h GLU 140 Ca 0.37 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1njj h GLU 140 Cb -0.15 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1njj h GLU 140 CO -0.08 0.09 0.38 0.87 -1.00 0.00 0.00 179.01 179.26 1njj h LYS 141 N 0.09 0.71 0.03 2.33 1.57 -0.71 -2.47 116.57 118.11 1njj h LYS 141 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1njj h LYS 141 Cb 0.01 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1njj h LYS 141 CO -0.01 0.47 -0.01 0.28 -0.57 0.00 0.00 179.45 179.61 1njj h VAL 142 N 0.73 0.99 -1.00 0.50 2.07 -0.43 -1.37 116.25 117.73 1njj h VAL 142 Ca 0.26 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.93 1njj h VAL 142 Cb 0.07 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 1njj h VAL 142 CO -0.13 0.01 0.61 0.00 0.02 0.00 0.00 177.57 178.09 1njj h ALA 143 N 0.92 1.71 0.00 1.67 0.00 -0.32 0.88 119.26 124.12 1njj h ALA 143 Ca -0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1njj h ALA 143 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1njj h ALA 143 CO 0.01 -0.07 -0.47 0.87 0.00 0.00 0.00 179.25 179.59 1njj h LYS 144 N 0.76 0.00 0.00 0.00 6.56 -1.21 -3.37 116.57 119.31 1njj h LYS 144 Ca 0.56 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 60.05 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 -0.35 0.37 -1.38 2.41 -2.06 0.00 0.00 179.45 178.44 1njj n THR 145 N -3.16 0.39 -3.21 -0.16 -1.04 -0.45 -4.90 114.28 101.74 1njj n THR 145 Ca 0.02 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 1njj n THR 145 Cb 0.70 -0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.57 -0.88 0.08 -1.42 -0.00 0.29 -4.87 115.22 105.85 1njj n HIS 146 Ca -0.11 -3.28 -0.12 0.00 -0.00 0.00 0.00 57.72 54.21 1njj n HIS 146 Cb 0.64 0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.62 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 4.54 -0.41 -1.20 1.57 0.11 -1.68 -3.04 132.00 131.89 1njj h PRO 147 Ca 0.12 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1njj h PRO 147 Cb 0.91 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1njj h PRO 147 CO 0.41 -0.28 0.08 1.63 -0.21 0.00 0.00 178.00 179.63 1njj n LYS 148 N -5.38 1.14 -3.24 1.05 5.02 -1.26 -4.57 118.16 110.93 1njj n LYS 148 Ca -0.06 -0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 55.52 1njj n LYS 148 Cb 0.29 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.36 3.50 -0.30 7.82 0.00 -1.15 -5.02 121.76 126.24 1njj s ALA 149 Ca 0.06 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1njj s ALA 149 Cb 0.05 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.47 1njj s ALA 149 CO 0.01 0.16 1.17 0.15 0.00 0.00 0.00 175.76 177.26 1njj s LYS 150 N -0.14 4.02 -0.13 0.00 1.02 0.17 -4.21 119.74 120.46 1njj s LYS 150 Ca 0.30 1.18 -0.05 0.00 0.02 0.00 0.00 55.97 57.42 1njj s LYS 150 Cb -0.18 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 1njj s LYS 150 CO 0.16 -0.97 0.04 -1.64 -0.92 0.00 0.00 175.35 172.01 1njj s MET 151 N 3.84 3.47 -0.19 1.68 -1.94 -0.28 -2.04 119.30 123.84 1njj s MET 151 Ca 0.50 -0.36 -0.05 0.00 -1.71 0.00 0.00 55.69 54.08 1njj s MET 151 Cb -0.14 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 1njj s MET 151 CO 0.18 0.51 -0.01 0.08 -0.01 0.00 0.00 175.02 175.77 1njj s VAL 152 N -0.33 3.90 -0.22 -6.03 1.01 0.30 0.03 120.40 119.07 1njj s VAL 152 Ca 0.08 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1njj s VAL 152 Cb -0.12 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1njj s VAL 152 CO 0.02 0.45 0.77 -0.22 0.00 0.00 0.00 175.10 176.12 1njj s LEU 153 N 0.81 4.11 -0.13 3.92 2.96 -0.62 -1.56 118.68 128.17 1njj s LEU 153 Ca -0.00 1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.74 1njj s LEU 153 Cb -0.14 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1njj s LEU 153 CO 0.02 -0.43 0.42 -0.60 -1.32 0.00 0.00 176.35 174.44 1njj s ARG 154 N 2.48 4.32 0.31 1.98 3.52 0.80 -1.05 118.95 131.31 1njj s ARG 154 Ca 0.34 0.35 0.08 0.00 -0.13 0.00 0.00 55.73 56.36 1njj s ARG 154 Cb -0.16 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1njj s ARG 154 CO 0.09 0.18 0.23 0.96 -0.81 0.00 0.00 175.30 175.95 1njj s ILE 155 N 0.58 3.64 0.62 4.11 -4.36 0.49 -1.29 121.20 124.99 1njj s ILE 155 Ca 0.23 -1.46 -0.16 0.00 -0.26 0.00 0.00 60.65 59.00 1njj s ILE 155 Cb -0.14 -3.18 -0.02 0.00 1.25 0.00 0.00 42.46 40.37 1njj s ILE 155 CO 0.08 -0.22 1.11 -0.55 0.24 0.00 0.00 174.94 175.60 1njj s SER 156 N -3.92 5.34 0.00 4.36 0.15 0.46 -4.46 113.70 115.63 1njj s SER 156 Ca 0.38 2.05 0.00 0.00 0.70 0.00 0.00 55.95 59.08 1njj s SER 156 Cb -0.06 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1njj s SER 156 CO 0.25 -1.47 0.00 0.35 1.20 0.00 0.00 173.24 173.57 1njj n THR 157 N -2.04 0.00 -0.10 6.45 -2.24 -1.26 -4.95 114.28 110.15 1njj n THR 157 Ca 0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.74 1njj n THR 157 Cb 0.52 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.60 1.11 -0.24 2.28 3.14 -1.26 -5.11 118.33 116.65 1njj n VAL 168 Ca 0.00 -0.40 -0.02 0.00 -2.96 0.00 0.00 64.34 60.96 1njj n VAL 168 Cb 0.31 -1.30 0.16 0.00 -1.06 0.00 0.00 33.84 31.94 1njj n VAL 168 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1njj h LYS 169 N -0.15 1.07 -4.64 1.45 3.64 -2.06 -3.46 116.57 112.43 1njj h LYS 169 Ca -0.45 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 58.57 1njj h LYS 169 Cb 1.63 -0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 33.09 1njj h LYS 169 CO -0.12 0.80 -0.70 -0.06 -2.27 0.00 0.00 179.45 177.11 1njj s PHE 170 N -5.65 0.87 0.00 1.91 2.99 -1.26 -5.06 117.98 111.78 1njj s PHE 170 Ca -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 56.93 55.91 1njj s PHE 170 Cb 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 43.02 42.68 1njj s PHE 170 CO 0.81 -0.16 0.00 0.41 -0.00 0.00 0.00 175.22 176.28 1njj n GLY 171 N 0.01 0.19 3.76 4.36 0.00 -1.26 -4.72 105.19 107.53 1njj n GLY 171 Ca -0.12 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 3.43 0.57 4.61 0.00 -0.41 -3.69 121.76 126.28 1njj s ALA 172 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1njj s ALA 172 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1njj s ALA 172 CO 0.00 -0.35 1.10 0.15 0.00 0.00 0.00 175.76 176.66 1njj s LYS 173 N -1.60 3.25 0.21 0.00 1.02 -1.26 -0.40 119.74 120.95 1njj s LYS 173 Ca 0.46 1.47 -0.10 0.00 0.02 0.00 0.00 55.97 57.82 1njj s LYS 173 Cb -0.35 -2.00 0.16 0.00 -0.52 0.00 0.00 37.83 35.11 1njj s LYS 173 CO 0.45 -0.90 1.87 0.28 -0.92 0.00 0.00 175.35 176.13 1njj h VAL 174 N 0.82 1.21 -0.45 3.17 2.07 -1.94 -2.41 116.25 118.71 1njj h VAL 174 Ca -0.49 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 66.74 1njj h VAL 174 Cb 1.25 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1njj h VAL 174 CO 0.56 0.21 0.32 -0.33 0.02 0.00 0.00 177.57 178.35 1njj h GLU 175 N 1.04 0.04 -0.02 1.57 5.08 -2.04 -0.60 114.58 119.65 1njj h GLU 175 Ca 0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1njj h GLU 175 Cb -0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1njj h GLU 175 CO -0.06 0.03 -0.14 -0.25 -1.00 0.00 0.00 179.01 177.60 1njj n ASP 176 N -4.42 2.22 -0.19 1.42 8.00 -0.93 -4.42 116.55 118.23 1njj n ASP 176 Ca 0.08 -1.65 -0.10 0.00 0.71 0.00 0.00 54.79 53.83 1njj n ASP 176 Cb 0.50 0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.89 -0.46 -0.87 0.00 2.43 -1.77 0.28 114.38 114.87 1njj h ARG 178 Ca 0.15 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1njj h ARG 178 Cb 0.58 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 1njj h ARG 178 CO 0.03 -0.31 0.53 0.35 -1.51 0.00 0.00 179.97 179.06 1njj h PHE 179 N -0.48 0.97 -0.19 2.20 3.57 -1.82 -1.00 116.94 120.18 1njj h PHE 179 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1njj h PHE 179 Cb 0.44 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1njj h PHE 179 CO -0.15 0.44 0.10 0.82 -2.23 0.00 0.00 178.31 177.29 1njj h ILE 180 N 0.91 1.13 -0.32 1.41 2.04 -0.78 -1.93 117.51 119.97 1njj h ILE 180 Ca 0.40 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1njj h ILE 180 Cb 0.29 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1njj h ILE 180 CO -0.21 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.20 1njj h LEU 181 N 0.19 0.38 -0.39 1.44 3.38 -0.46 -0.33 115.31 119.52 1njj h LEU 181 Ca 0.07 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1njj h LEU 181 Cb 0.11 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1njj h LEU 181 CO -0.01 0.29 -0.09 -0.33 0.09 0.00 0.00 178.44 178.39 1njj h GLU 182 N 0.43 0.01 -0.51 1.13 5.08 -1.06 0.24 114.58 119.91 1njj h GLU 182 Ca 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1njj h GLU 182 Cb -0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1njj h GLU 182 CO -0.02 0.00 0.29 1.96 -1.00 0.00 0.00 179.01 180.24 1njj h GLN 183 N 0.01 0.69 -0.01 2.33 1.08 -0.94 0.64 115.11 118.91 1njj h GLN 183 Ca 0.19 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1njj h GLN 183 Cb 0.28 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1njj h GLN 183 CO -0.40 0.50 -0.42 0.00 -0.95 0.00 0.00 178.83 177.56 1njj h ALA 184 N 1.62 1.29 0.17 3.87 0.00 0.74 -0.18 119.26 126.77 1njj h ALA 184 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1njj h ALA 184 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1njj h ALA 184 CO -0.03 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.45 1njj h LYS 185 N 0.02 -0.22 0.00 0.00 1.63 0.15 0.21 116.57 118.36 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 0.75 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1njj h LYS 185 CO 0.06 0.11 -0.00 0.87 -3.45 0.00 0.00 179.45 177.04 1njj h LYS 186 N -0.57 0.00 -0.07 1.90 1.57 -0.62 0.12 116.57 118.91 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 -3.19 2.67 -3.62 2.94 4.77 -0.11 -4.96 117.00 115.49 1njj n LEU 187 Ca -0.03 -0.93 -0.24 0.00 -0.03 0.00 0.00 56.01 54.79 1njj n LEU 187 Cb 0.08 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1njj n LEU 187 CO 0.21 0.46 0.19 -3.20 -1.33 0.00 0.00 177.39 173.73 1njj n ASN 188 N 1.07 -5.21 -4.73 -1.43 5.15 0.42 -4.90 115.26 105.63 1njj n ASN 188 Ca 0.16 -0.60 -0.38 0.00 -0.60 0.00 0.00 54.58 53.15 1njj n ASN 188 Cb 0.54 -4.84 -0.06 0.00 -0.53 0.00 0.00 39.78 34.89 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 5.14 -1.17 -1.44 -1.09 0.57 -4.97 121.20 114.90 1njj s ILE 189 Ca 0.48 1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 59.73 1njj s ILE 189 Cb -0.22 -3.85 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 0.49 6.71 -0.42 3.58 2.15 -1.26 -4.76 116.67 123.17 1njj s ASP 190 Ca 0.28 -2.08 -0.29 0.00 0.43 0.00 0.00 52.55 50.89 1njj s ASP 190 Cb -0.16 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 1njj s ASP 190 CO 0.12 -1.27 1.24 -0.69 -0.17 0.00 0.00 175.17 174.39 1njj s VAL 191 N 4.29 4.14 -1.62 1.11 1.01 -1.26 -1.13 120.40 126.94 1njj s VAL 191 Ca 0.49 1.20 0.19 0.00 0.00 0.00 0.00 61.98 63.86 1njj s VAL 191 Cb 0.02 -4.40 0.56 0.00 0.00 0.00 0.00 36.38 32.56 1njj s VAL 191 CO -0.00 -0.80 1.47 0.35 0.00 0.00 0.00 175.10 176.12 1njj n THR 192 N 6.72 1.07 -3.63 3.92 -2.24 0.11 -3.86 114.28 116.37 1njj n THR 192 Ca 0.14 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1njj n THR 192 Cb 0.48 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.30 -1.29 3.22 3.38 0.00 -1.24 -1.35 105.19 109.21 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 1.13 0.18 1.61 1.01 -0.54 -1.60 120.40 119.20 1njj s VAL 194 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.08 1njj s VAL 194 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1njj s VAL 194 CO 0.00 -0.55 0.41 -0.94 0.00 0.00 0.00 175.10 174.02 1njj s SER 195 N -2.62 -0.13 0.32 3.32 1.04 -0.22 -1.11 113.70 114.31 1njj s SER 195 Ca 0.09 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 55.71 1njj s SER 195 Cb -0.02 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1njj s SER 195 CO 0.01 -0.97 0.76 0.72 0.98 0.00 0.00 173.24 174.74 1njj s PHE 196 N -3.91 -0.05 -0.26 5.02 -0.12 -1.00 -0.38 117.98 117.29 1njj s PHE 196 Ca 0.12 -0.51 -0.09 0.00 -0.05 0.00 0.00 56.93 56.40 1njj s PHE 196 Cb 0.01 0.77 0.11 0.00 -0.63 0.00 0.00 43.02 43.28 1njj s PHE 196 CO -0.03 -1.38 0.57 -1.58 -0.05 0.00 0.00 175.22 172.76 1njj s HIS 197 N -3.17 -1.13 -0.08 3.49 2.46 -1.26 -2.76 115.29 112.83 1njj s HIS 197 Ca 0.13 2.03 0.15 0.00 0.47 0.00 0.00 55.06 57.84 1njj s HIS 197 Cb -0.05 0.62 -0.21 0.00 -0.13 0.00 0.00 32.58 32.81 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 5.33 1.43 -0.04 0.89 0.24 -1.26 -4.64 118.33 120.27 1njj n VAL 198 Ca -0.12 -0.77 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 32.00 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 -3.52 0.27 7.63 0.00 -1.26 -4.64 105.19 105.20 1njj n GLY 199 Ca -0.16 -1.89 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 -0.37 1.26 -1.69 1.61 3.41 -1.26 -4.41 113.62 112.17 1njj n SER 200 Ca 0.00 -1.01 -0.07 0.00 -0.26 0.00 0.00 58.87 57.53 1njj n SER 200 Cb 0.00 0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.39 3.10 3.75 5.00 0.00 -1.26 -4.88 105.19 112.29 1njj n GLY 201 Ca 0.10 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 1.37 6.14 -0.18 1.61 0.01 -1.26 -4.93 113.70 116.45 1njj s SER 202 Ca 0.16 0.25 0.16 0.00 1.31 0.00 0.00 55.95 57.83 1njj s SER 202 Cb 0.11 -2.05 -0.22 0.00 0.21 0.00 0.00 66.02 64.07 1njj s SER 202 CO -0.01 0.23 0.06 1.07 0.41 0.00 0.00 173.24 175.01 1njj n THR 203 N 3.17 1.23 -4.80 1.44 5.66 -1.26 -4.78 114.28 114.93 1njj n THR 203 Ca -0.17 -0.76 -0.27 0.00 -3.05 0.00 0.00 64.05 59.80 1njj n THR 203 Cb 0.53 -0.52 -0.17 0.00 -1.55 0.00 0.00 70.33 68.62 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 -5.21 2.20 0.01 1.09 3.68 -1.26 -4.80 116.67 112.39 1njj s ASP 204 Ca -0.09 -0.38 0.24 0.00 2.13 0.00 0.00 52.55 54.45 1njj s ASP 204 Cb 0.05 -0.94 1.02 0.00 -1.45 0.00 0.00 42.92 41.61 1njj s ASP 204 CO 0.74 0.09 1.77 0.00 0.13 0.00 0.00 175.17 177.90 1njj n ALA 205 N 3.61 2.10 -0.33 3.66 0.00 -1.26 -3.70 120.51 124.60 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 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 19.00 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 0.61 -1.02 0.00 4.64 -1.98 0.16 113.55 115.95 1njj h SER 206 Ca 0.00 0.09 0.28 0.00 -0.47 0.00 0.00 61.79 61.69 1njj h SER 206 Cb 0.43 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.38 1njj h SER 206 CO 0.00 0.17 0.61 0.74 -0.87 0.00 0.00 176.83 177.49 1njj h THR 207 N 0.57 0.45 -0.50 2.95 2.02 -2.00 0.68 112.91 117.07 1njj h THR 207 Ca 0.58 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 67.48 1njj h THR 207 Cb 1.18 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1njj h THR 207 CO -0.34 0.08 -0.16 -0.26 0.37 0.00 0.00 175.52 175.21 1njj h PHE 208 N 0.46 1.12 -0.34 3.16 0.04 -0.97 -1.52 116.94 118.90 1njj h PHE 208 Ca 0.67 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 61.17 1njj h PHE 208 Cb 1.45 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 1njj h PHE 208 CO -0.01 1.06 0.13 0.00 -0.60 0.00 0.00 178.31 178.90 1njj h ALA 209 N 0.93 0.44 -0.51 2.45 0.00 0.29 -2.00 119.26 120.86 1njj h ALA 209 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1njj h ALA 209 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1njj h ALA 209 CO 0.06 0.05 -0.17 0.37 0.00 0.00 0.00 179.25 179.56 1njj h GLN 210 N 0.40 1.02 -0.30 0.00 5.75 -0.92 -1.55 115.11 119.51 1njj h GLN 210 Ca 0.11 -0.41 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 1njj h GLN 210 Cb 0.20 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1njj h GLN 210 CO -0.01 1.10 -0.08 0.00 -2.65 0.00 0.00 178.83 177.19 1njj h ALA 211 N 0.90 1.32 -0.03 3.38 0.00 -1.20 -0.85 119.26 122.77 1njj h ALA 211 Ca 0.12 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1njj h ALA 211 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1njj h ALA 211 CO 0.06 0.46 -0.88 0.82 0.00 0.00 0.00 179.25 179.70 1njj h ILE 212 N 0.45 1.38 0.05 0.00 2.04 -1.17 -0.86 117.51 119.40 1njj h ILE 212 Ca 0.09 -2.33 -0.00 0.00 1.00 0.00 0.00 64.86 63.62 1njj h ILE 212 Cb 0.42 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1njj h ILE 212 CO 0.02 0.70 -0.02 -1.28 0.00 0.00 0.00 178.15 177.57 1njj h SER 213 N 0.27 -0.06 -0.90 1.72 0.87 -0.97 -2.34 113.55 112.15 1njj h SER 213 Ca -0.07 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.45 1njj h SER 213 Cb 1.51 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.42 1njj h SER 213 CO 0.16 0.09 0.58 0.44 -0.53 0.00 0.00 176.83 177.57 1njj h ASP 214 N -0.21 0.83 -0.04 6.23 3.45 -1.13 -0.93 116.42 124.61 1njj h ASP 214 Ca -0.01 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1njj h ASP 214 Cb 0.19 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1njj h ASP 214 CO 0.01 0.49 -0.07 0.28 -1.57 0.00 0.00 179.24 178.38 1njj h SER 215 N 0.92 0.24 0.17 6.45 0.02 -0.71 -2.10 113.55 118.54 1njj h SER 215 Ca 0.41 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1njj h SER 215 Cb 0.37 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1njj h SER 215 CO -0.18 0.36 -0.08 -0.09 -1.14 0.00 0.00 176.83 175.70 1njj h ARG 216 N 0.26 -0.21 -0.38 3.45 9.65 -0.66 0.90 114.38 127.39 1njj h ARG 216 Ca 0.06 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1njj h ARG 216 Cb 0.30 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.84 1njj h ARG 216 CO 0.01 0.07 -0.42 0.35 2.80 0.00 0.00 179.97 182.79 1njj h PHE 217 N -0.50 -1.21 -0.05 2.20 3.57 -1.16 0.21 116.94 120.01 1njj h PHE 217 Ca -0.02 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1njj h PHE 217 Cb 0.38 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1njj h PHE 217 CO 0.01 -0.44 -0.35 0.28 -2.23 0.00 0.00 178.31 175.59 1njj h VAL 218 N -0.34 1.26 -0.76 1.41 2.07 -1.40 -2.51 116.25 115.99 1njj h VAL 218 Ca 0.13 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1njj h VAL 218 Cb 0.58 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1njj h VAL 218 CO -0.55 0.37 0.46 0.15 0.02 0.00 0.00 177.57 178.01 1njj h PHE 219 N 0.08 1.00 -0.22 1.57 3.57 0.14 -2.01 116.94 121.06 1njj h PHE 219 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1njj h PHE 219 Cb 0.65 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1njj h PHE 219 CO 0.00 0.67 0.02 -0.44 -2.23 0.00 0.00 178.31 176.34 1njj h ASP 220 N 1.04 0.36 -0.51 0.41 3.32 -0.28 -2.20 116.42 118.56 1njj h ASP 220 Ca 0.27 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1njj h ASP 220 Cb -0.03 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 1njj h ASP 220 CO -0.05 0.55 0.13 0.24 -1.72 0.00 0.00 179.24 178.39 1njj h MET 221 N 0.17 0.27 -0.55 3.56 2.86 -1.23 0.94 114.93 120.94 1njj h MET 221 Ca 0.07 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1njj h MET 221 Cb 0.35 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1njj h MET 221 CO 0.01 0.18 0.30 0.78 1.06 0.00 0.00 176.91 179.23 1njj h GLY 222 N 0.28 0.79 1.59 8.32 0.00 -1.22 0.52 103.07 113.35 1njj h GLY 222 Ca 0.26 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1njj h GLY 222 CO -0.31 0.14 -0.16 -0.84 0.00 0.00 0.00 176.54 175.37 1njj h THR 223 N 0.57 1.24 -0.44 4.70 2.02 -0.53 0.52 112.91 120.98 1njj h THR 223 Ca 0.24 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 1njj h THR 223 Cb 0.13 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1njj h THR 223 CO -0.16 0.35 -0.06 -0.08 0.37 0.00 0.00 175.52 175.95 1njj h GLU 224 N 0.45 0.76 -0.87 6.66 4.81 0.21 -2.71 114.58 123.90 1njj h GLU 224 Ca 0.08 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 1njj h GLU 224 Cb 0.54 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 1njj h GLU 224 CO 0.03 0.81 0.14 1.28 -0.73 0.00 0.00 179.01 180.54 1njj n LEU 225 N -4.19 4.11 -0.19 1.64 7.99 0.06 -4.85 117.00 121.57 1njj n LEU 225 Ca 0.02 -2.12 -0.03 0.00 -0.01 0.00 0.00 56.01 53.87 1njj n LEU 225 Cb 0.33 -0.63 -0.01 0.00 -0.11 0.00 0.00 43.42 43.00 1njj n LEU 225 CO 0.42 0.59 -0.02 0.61 -1.51 0.00 0.00 177.39 177.47 1njj n GLY 226 N 0.05 0.57 3.75 -0.72 0.00 -1.02 -5.00 105.19 102.82 1njj n GLY 226 Ca 0.22 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.95 3.72 -1.29 1.61 0.40 0.18 -4.98 117.98 115.68 1njj s PHE 227 Ca 0.00 1.37 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 1njj s PHE 227 Cb 0.00 -2.73 0.01 0.00 0.51 0.00 0.00 43.02 40.81 1njj s PHE 227 CO 0.00 0.32 1.99 -1.71 0.70 0.00 0.00 175.22 176.52 1njj n ASN 228 N 2.72 3.99 -4.57 1.36 5.15 -1.25 -3.54 115.26 119.11 1njj n ASN 228 Ca -0.04 -2.83 -0.42 0.00 -0.60 0.00 0.00 54.58 50.68 1njj n ASN 228 Cb 0.50 -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 4.10 3.41 -0.01 1.20 -1.94 -1.26 -4.34 119.30 120.46 1njj s MET 229 Ca 0.53 0.22 0.01 0.00 -1.71 0.00 0.00 55.69 54.74 1njj s MET 229 Cb 0.09 -4.07 0.02 0.00 2.01 0.00 0.00 34.83 32.88 1njj s MET 229 CO 0.02 -1.82 0.90 -2.39 -0.01 0.00 0.00 175.02 171.71 1njj n HIS 230 N 8.88 0.00 -4.45 -0.03 1.44 -0.92 -4.93 115.22 115.21 1njj n HIS 230 Ca 0.09 -0.08 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 1njj n HIS 230 Cb 0.49 -0.05 -0.16 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.23 0.87 -0.13 0.61 1.01 -0.46 -1.59 121.20 121.28 1njj s ILE 231 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1njj s ILE 231 Cb 0.02 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.74 1njj s ILE 231 CO 0.00 0.27 -0.07 -0.22 0.00 0.00 0.00 174.94 174.92 1njj s LEU 232 N 0.25 1.37 -0.28 2.97 2.96 -0.67 -1.46 118.68 123.81 1njj s LEU 232 Ca -0.05 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1njj s LEU 232 Cb -0.10 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1njj s LEU 232 CO 0.01 -0.14 0.06 -0.62 -1.32 0.00 0.00 176.35 174.34 1njj s ASP 233 N 1.67 5.02 0.00 3.68 -1.08 -0.27 -0.27 116.67 125.41 1njj s ASP 233 Ca 0.03 -0.64 0.14 0.00 -0.52 0.00 0.00 52.55 51.56 1njj s ASP 233 Cb -0.14 -1.86 0.40 0.00 -1.46 0.00 0.00 42.92 39.87 1njj s ASP 233 CO -0.08 -0.16 1.34 2.30 0.52 0.00 0.00 175.17 179.09 1njj n ILE 234 N 4.85 0.59 -4.59 4.11 -5.35 0.44 -2.36 119.36 117.05 1njj n ILE 234 Ca -0.15 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1njj n ILE 234 Cb 0.48 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 1.21 1.73 0.00 3.28 0.00 -1.11 -4.69 105.19 105.61 1njj n GLY 235 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 5.22 0.00 -0.02 0.00 -1.21 0.25 105.19 109.43 1njj n GLY 236 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 1.11 3.75 -0.02 0.00 -1.26 -3.97 105.19 104.79 1njj n GLY 237 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 3.62 0.27 1.61 0.40 -1.26 -4.36 117.98 116.26 1njj s PHE 238 Ca 0.00 1.12 -0.26 0.00 -0.60 0.00 0.00 56.93 57.19 1njj s PHE 238 Cb 0.00 -2.62 -0.16 0.00 0.51 0.00 0.00 43.02 40.75 1njj s PHE 238 CO 0.00 0.26 0.37 -2.30 0.70 0.00 0.00 175.22 174.25 1njj n PRO 239 N 3.16 0.01 -0.00 0.24 -0.02 -1.26 -2.79 135.00 134.34 1njj n PRO 239 Ca -0.06 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1njj n PRO 239 Cb 0.51 -1.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1njj n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1njj n GLY 240 N 2.11 0.53 3.42 -1.23 0.00 -1.26 -4.04 105.19 104.72 1njj n GLY 240 Ca 0.16 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.47 2.31 -1.89 2.61 -4.23 -1.26 -3.38 115.64 108.33 1njj s THR 241 Ca 0.00 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1njj s THR 241 Cb 0.00 -2.10 0.17 0.00 1.34 0.00 0.00 72.50 71.92 1njj s THR 241 CO 0.00 -0.13 1.11 0.54 -0.54 0.00 0.00 174.62 175.60 1njj n ARG 242 N 0.29 1.49 0.00 3.99 1.74 -1.26 -2.99 116.66 119.92 1njj n ARG 242 Ca -0.13 -0.70 0.10 0.00 -0.77 0.00 0.00 57.85 56.36 1njj n ARG 242 Cb 0.56 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.75 1njj n ARG 242 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1njj n ASP 243 N 0.07 1.07 -4.74 0.55 8.00 -1.26 -4.95 116.55 115.29 1njj n ASP 243 Ca 0.06 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 1njj n ASP 243 Cb 0.19 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.09 1njj n ASP 243 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1njj s ALA 244 N -2.93 3.51 0.06 2.24 0.00 -1.16 -4.94 121.76 118.54 1njj s ALA 244 Ca 0.10 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 1njj s ALA 244 Cb 0.16 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 1njj s ALA 244 CO 0.81 -0.51 1.57 -1.35 0.00 0.00 0.00 175.76 176.28 1njj h PRO 245 N 5.35 -0.32 -6.51 0.00 0.11 -1.92 -3.39 132.00 125.31 1njj h PRO 245 Ca -0.45 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.12 1njj h PRO 245 Cb 1.21 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1njj h PRO 245 CO 0.77 -0.13 0.96 -1.17 -0.21 0.00 0.00 178.00 178.22 1njj s LEU 246 N -9.93 3.73 0.46 2.35 2.96 -1.26 -5.00 118.68 111.99 1njj s LEU 246 Ca -0.15 0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 54.39 1njj s LEU 246 Cb 0.04 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 1njj s LEU 246 CO 0.63 -1.19 1.08 -0.75 -1.32 0.00 0.00 176.35 174.80 1njj s LYS 247 N 4.37 3.84 0.22 1.98 2.47 -1.26 -4.80 119.74 126.56 1njj s LYS 247 Ca 0.53 1.54 -0.09 0.00 -1.56 0.00 0.00 55.97 56.39 1njj s LYS 247 Cb -0.12 -2.29 0.20 0.00 -1.46 0.00 0.00 37.83 34.16 1njj s LYS 247 CO 0.27 -0.43 1.86 0.35 0.16 0.00 0.00 175.35 177.56 1njj h PHE 248 N 1.91 0.91 0.00 4.03 3.57 -1.94 -2.48 116.94 122.94 1njj h PHE 248 Ca -0.49 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1njj h PHE 248 Cb 1.23 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1njj h PHE 248 CO 0.55 0.53 -0.09 0.93 -2.23 0.00 0.00 178.31 178.00 1njj h GLU 249 N 0.95 0.00 0.00 1.11 5.08 -1.99 0.23 114.58 119.97 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 -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1njj h GLU 249 CO -0.10 0.09 -0.34 1.49 -1.00 0.00 0.00 179.01 179.15 1njj h GLU 250 N 0.00 0.00 0.00 2.33 4.81 -1.83 -2.93 114.58 116.96 1njj h GLU 250 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1njj h GLU 250 Cb 0.57 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 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 1.33 -0.78 2.32 2.04 -0.91 -3.02 117.51 118.48 1njj h ILE 251 Ca 0.00 -2.21 0.11 0.00 1.00 0.00 0.00 64.86 63.75 1njj h ILE 251 Cb 0.86 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 39.61 1njj h ILE 251 CO 0.00 0.45 0.51 0.00 0.00 0.00 0.00 178.15 179.11 1njj h ALA 252 N -0.26 1.83 0.55 1.87 0.00 -0.68 0.23 119.26 122.80 1njj h ALA 252 Ca -0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1njj h ALA 252 Cb 1.10 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1njj h ALA 252 CO -0.09 -0.00 -0.26 0.78 0.00 0.00 0.00 179.25 179.67 1njj h GLY 253 N 0.66 -0.77 1.77 0.00 0.00 -1.61 0.79 103.07 103.91 1njj h GLY 253 Ca 0.36 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 1njj h GLY 253 CO -0.14 -0.28 0.09 -2.08 0.00 0.00 0.00 176.54 174.14 1njj h VAL 254 N -0.79 1.09 0.09 4.60 2.07 -1.24 -1.79 116.25 120.28 1njj h VAL 254 Ca -0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1njj h VAL 254 Cb 0.59 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1njj h VAL 254 CO 0.12 0.10 -0.04 0.40 0.02 0.00 0.00 177.57 178.17 1njj h ILE 255 N 0.31 1.14 -0.69 4.57 2.04 -0.72 -2.60 117.51 121.55 1njj h ILE 255 Ca 0.08 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1njj h ILE 255 Cb 0.06 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1njj h ILE 255 CO -0.01 0.23 0.45 0.78 0.00 0.00 0.00 178.15 179.60 1njj h ASN 256 N -0.57 0.62 0.82 1.72 -0.26 -0.53 0.34 115.58 117.72 1njj h ASN 256 Ca -0.01 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1njj h ASN 256 Cb 0.47 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1njj h ASN 256 CO 0.02 0.40 -0.40 0.78 -1.06 0.00 0.00 177.43 177.17 1njj h ASN 257 N 0.70 -0.94 -0.30 5.81 4.21 -1.30 -1.91 115.58 121.86 1njj h ASN 257 Ca 0.30 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.85 1njj h ASN 257 Cb 0.27 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1njj h ASN 257 CO -0.10 -0.62 0.20 0.00 -1.29 0.00 0.00 177.43 175.62 1njj h ALA 258 N -1.39 1.81 0.00 -0.83 0.00 -1.19 0.08 119.26 117.75 1njj h ALA 258 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1njj h ALA 258 Cb 0.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1njj h ALA 258 CO 0.19 0.17 0.00 1.25 0.00 0.00 0.00 179.25 180.85 1njj h LEU 259 N 0.38 0.00 0.02 0.00 5.85 -0.18 -1.22 115.31 120.16 1njj h LEU 259 Ca 0.11 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.49 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 -2.10 1.21 -0.34 0.00 0.00 178.44 177.18 1njj n GLU 260 N -2.53 0.67 0.17 1.25 2.13 -0.07 -1.62 120.64 120.64 1njj n GLU 260 Ca 0.01 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.12 1njj n GLU 260 Cb 0.25 -1.65 0.28 0.00 0.27 0.00 0.00 31.44 30.59 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 -1.01 -3.34 116.57 121.19 1njj h LYS 261 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 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 -0.64 0.72 -2.27 0.00 0.00 179.45 177.30 1njj n HIS 262 N -2.70 0.00 -2.96 1.91 8.25 -0.49 -4.90 115.22 114.33 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 31.58 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 -1.13 1.58 -1.49 4.41 3.01 -0.64 -4.92 117.46 118.28 1njj n PHE 263 Ca 0.00 -3.59 -0.38 0.00 1.01 0.00 0.00 57.45 54.49 1njj n PHE 263 Cb 0.11 -0.39 0.04 0.00 -0.01 0.00 0.00 39.48 39.22 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 0.56 -1.30 -1.08 -0.04 -1.21 -4.65 135.00 127.29 1njj n PRO 264 Ca 0.25 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.53 1njj n PRO 264 Cb 0.63 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.20 0.11 -3.47 0.54 -0.02 -1.26 -5.00 135.00 125.69 1njj n PRO 265 Ca 0.12 0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1njj n PRO 265 Cb 0.48 -1.13 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 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 -0.35 0.61 2.55 -1.08 -1.26 -5.04 116.67 111.07 1njj s ASP 266 Ca 0.60 0.52 0.38 0.00 -0.52 0.00 0.00 52.55 53.52 1njj s ASP 266 Cb -0.52 1.30 1.94 0.00 -1.46 0.00 0.00 42.92 44.17 1njj s ASP 266 CO 0.63 -0.08 2.21 -0.07 0.52 0.00 0.00 175.17 178.39 1njj h LEU 267 N 6.56 0.00 0.00 -1.34 3.38 -2.03 -1.23 115.31 120.65 1njj h LEU 267 Ca -0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 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 0.14 0.02 -0.89 0.11 0.09 0.00 0.00 178.44 177.91 1njj h LYS 268 N 0.00 0.00 -6.75 1.13 1.57 -1.96 -3.45 116.57 107.11 1njj h LYS 268 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1njj h LYS 268 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1njj h LYS 268 CO 0.00 0.77 0.26 -1.17 -0.57 0.00 0.00 179.45 178.75 1njj s LEU 269 N -6.55 4.39 -0.06 2.94 2.96 -0.47 -4.80 118.68 117.09 1njj s LEU 269 Ca 0.02 1.71 -0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1njj s LEU 269 Cb 0.09 -3.79 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1njj s LEU 269 CO 0.79 0.01 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.91 1njj s THR 270 N -1.51 0.56 -0.16 3.68 2.01 -0.62 -4.79 115.64 114.81 1njj s THR 270 Ca 0.46 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 1njj s THR 270 Cb -0.19 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1njj s THR 270 CO 0.24 0.26 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.74 1njj s ILE 271 N 1.42 3.57 0.28 1.82 1.01 -1.26 -1.67 121.20 126.36 1njj s ILE 271 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1njj s ILE 271 Cb -0.13 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1njj s ILE 271 CO -0.03 0.49 0.11 0.68 0.00 0.00 0.00 174.94 176.19 1njj s VAL 272 N 0.52 0.56 0.15 2.92 -7.23 0.62 -1.09 120.40 116.84 1njj s VAL 272 Ca -0.05 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1njj s VAL 272 Cb -0.15 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1njj s VAL 272 CO 0.03 0.00 0.17 0.00 -0.31 0.00 0.00 175.10 174.99 1njj s ALA 273 N -3.68 0.45 -0.63 1.32 0.00 -0.44 -0.42 121.76 118.36 1njj s ALA 273 Ca 0.37 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1njj s ALA 273 Cb 0.07 0.87 0.27 0.00 0.00 0.00 0.00 23.12 24.33 1njj s ALA 273 CO 0.15 -0.57 0.80 0.39 0.00 0.00 0.00 175.76 176.53 1njj n GLU 274 N -0.15 2.72 -2.47 0.00 1.02 0.71 -0.47 120.64 121.99 1njj n GLU 274 Ca -0.06 -4.72 -0.41 0.00 -0.02 0.00 0.00 57.16 51.95 1njj n GLU 274 Cb 0.63 -2.26 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 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 -2.72 4.58 0.01 3.49 0.04 -1.16 -3.33 135.00 135.91 1njj s PRO 275 Ca 0.42 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 1njj s PRO 275 Cb 0.18 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.47 1njj s PRO 275 CO -0.04 0.06 -0.00 0.41 0.04 0.00 0.00 177.00 177.47 1njj n GLY 276 N 1.90 0.03 0.17 0.56 0.00 -1.26 -1.25 105.19 105.33 1njj n GLY 276 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.68 1.61 0.11 -1.92 -3.22 114.38 110.28 1njj h ARG 277 Ca 0.00 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.22 1njj h ARG 277 Cb 0.01 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.99 1njj h ARG 277 CO 0.00 0.48 0.12 -0.92 0.10 0.00 0.00 179.97 179.75 1njj h TYR 278 N 0.00 0.18 0.00 4.08 3.20 -1.66 -1.69 116.97 121.08 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 0.89 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1njj h TYR 278 CO 0.00 -0.09 0.00 1.88 -1.64 0.00 0.00 178.16 178.31 1njj h TYR 279 N 0.23 0.00 0.00 -3.82 -1.99 -1.86 -3.42 116.97 106.11 1njj h TYR 279 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1njj h TYR 279 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1njj h TYR 279 CO -0.28 0.00 -0.18 1.33 -0.00 0.00 0.00 178.16 179.02 1njj n VAL 280 N -2.67 0.00 -0.13 -2.88 0.24 -0.94 -4.59 118.33 107.37 1njj n VAL 280 Ca 0.05 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1njj n VAL 280 Cb 0.46 0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.41 0.00 2.33 0.00 -1.57 -1.86 119.26 117.75 1njj h ALA 281 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1njj h ALA 281 Cb 0.00 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1njj h ALA 281 CO 0.00 -0.85 0.00 -1.13 0.00 0.00 0.00 179.25 177.27 1njj n SER 282 N -5.41 0.00 0.12 0.00 3.41 -1.22 -1.92 113.62 108.59 1njj n SER 282 Ca -0.00 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1njj n SER 282 Cb 0.35 -0.48 0.41 0.00 -0.26 0.00 0.00 64.21 64.23 1njj n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1njj h ALA 283 N 2.95 1.00 -3.43 7.33 0.00 -1.65 -3.42 119.26 122.05 1njj h ALA 283 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1njj h ALA 283 Cb 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.01 1njj h ALA 283 CO 0.00 0.00 -0.69 -0.06 0.00 0.00 0.00 179.25 178.50 1njj s PHE 284 N -3.15 2.96 -0.13 0.00 0.40 -1.23 -0.44 117.98 116.39 1njj s PHE 284 Ca 0.09 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1njj s PHE 284 Cb 0.11 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1njj s PHE 284 CO 0.57 0.06 -0.14 0.99 0.70 0.00 0.00 175.22 177.41 1njj s THR 285 N -0.05 1.47 -0.16 0.64 2.01 -0.62 -1.47 115.64 117.45 1njj s THR 285 Ca 0.00 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1njj s THR 285 Cb -0.13 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1njj s THR 285 CO 0.03 0.44 0.21 -0.22 -0.69 0.00 0.00 174.62 174.39 1njj s LEU 286 N 1.34 4.26 -0.28 4.42 2.96 0.23 -0.98 118.68 130.64 1njj s LEU 286 Ca 0.01 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1njj s LEU 286 Cb -0.13 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1njj s LEU 286 CO -0.07 0.19 0.01 0.00 -1.32 0.00 0.00 176.35 175.16 1njj s ALA 287 N 0.12 2.87 0.08 5.97 0.00 -0.06 0.18 121.76 130.92 1njj s ALA 287 Ca 0.13 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.63 1njj s ALA 287 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1njj s ALA 287 CO 0.02 -0.96 -0.09 0.14 0.00 0.00 0.00 175.76 174.87 1njj s VAL 288 N 1.38 3.44 -0.20 0.00 -7.23 0.87 -1.49 120.40 117.17 1njj s VAL 288 Ca -0.00 -1.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1njj s VAL 288 Cb -0.17 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1njj s VAL 288 CO -0.01 0.18 0.13 0.21 -0.31 0.00 0.00 175.10 175.29 1njj s ASN 289 N -2.02 6.17 -0.14 4.85 3.04 -1.26 0.27 114.94 125.85 1njj s ASN 289 Ca 0.21 0.22 -0.29 0.00 0.04 0.00 0.00 52.86 53.03 1njj s ASN 289 Cb -0.11 -2.08 -0.04 0.00 -1.54 0.00 0.00 41.25 37.48 1njj s ASN 289 CO 0.12 0.18 1.64 -0.69 -3.04 0.00 0.00 177.10 175.31 1njj s VAL 290 N 0.38 3.65 -0.25 -5.21 1.01 -0.08 -2.93 120.40 116.96 1njj s VAL 290 Ca 0.08 0.76 0.20 0.00 0.00 0.00 0.00 61.98 63.02 1njj s VAL 290 Cb -0.11 -3.58 -0.29 0.00 0.00 0.00 0.00 36.38 32.40 1njj s VAL 290 CO -0.02 -0.16 0.55 2.30 0.00 0.00 0.00 175.10 177.76 1njj n ILE 291 N 5.96 0.00 -3.56 2.22 -5.35 0.22 -0.25 119.36 118.60 1njj n ILE 291 Ca 0.18 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1njj n ILE 291 Cb 0.44 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.57 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 -3.28 -1.33 0.06 -1.28 0.00 -1.12 -4.89 121.76 109.92 1njj s ALA 292 Ca -0.04 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 1njj s ALA 292 Cb 0.14 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1njj s ALA 292 CO 0.84 -0.56 0.06 0.21 0.00 0.00 0.00 175.76 176.31 1njj s LYS 293 N -2.79 0.66 -0.10 0.00 2.20 -1.26 -1.52 119.74 116.92 1njj s LYS 293 Ca -0.03 -1.01 -0.16 0.00 -0.36 0.00 0.00 55.97 54.41 1njj s LYS 293 Cb -0.00 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1njj s LYS 293 CO -0.05 -0.16 0.41 0.15 -0.36 0.00 0.00 175.35 175.35 1njj s LYS 294 N -3.48 0.60 0.49 4.03 1.02 -0.99 -5.03 119.74 116.39 1njj s LYS 294 Ca 0.03 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.36 1njj s LYS 294 Cb 0.04 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1njj s LYS 294 CO -0.09 -0.12 0.12 0.08 -0.92 0.00 0.00 175.35 174.42 1njj s VAL 295 N -0.39 1.52 0.00 3.17 1.01 -1.26 -2.13 120.40 122.32 1njj s VAL 295 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1njj s VAL 295 Cb -0.03 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1njj s VAL 295 CO 0.03 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.48 1njj n THR 296 N -1.34 0.00 -3.63 3.92 -2.24 -1.26 -4.97 114.28 104.76 1njj n THR 296 Ca -0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 1njj n THR 296 Cb 0.66 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1njj n THR 296 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1njj s GLN 312 N -0.31 3.38 0.06 -0.78 2.00 -1.26 -4.98 119.66 117.77 1njj s GLN 312 Ca 0.00 -0.70 -0.15 0.00 -2.00 0.00 0.00 55.36 52.52 1njj s GLN 312 Cb 0.00 -3.61 0.02 0.00 0.80 0.00 0.00 33.01 30.22 1njj s GLN 312 CO 0.00 -0.42 0.34 0.45 -0.50 0.00 0.00 175.29 175.16 1njj s SER 313 N 1.64 -0.16 0.21 6.67 0.15 -1.26 -4.40 113.70 116.54 1njj s SER 313 Ca 0.05 -0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.57 1njj s SER 313 Cb -0.17 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1njj s SER 313 CO 0.07 -0.68 -0.16 -0.36 1.20 0.00 0.00 173.24 173.31 1njj s PHE 314 N -2.89 1.82 -0.04 3.44 0.40 -0.37 -4.56 117.98 115.77 1njj s PHE 314 Ca -0.03 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1njj s PHE 314 Cb 0.00 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.71 1njj s PHE 314 CO -0.05 0.41 -0.06 -1.64 0.70 0.00 0.00 175.22 174.58 1njj s MET 315 N -3.51 0.94 0.06 0.44 -1.94 -0.90 -2.34 119.30 112.05 1njj s MET 315 Ca 0.23 -0.16 0.09 0.00 -1.71 0.00 0.00 55.69 54.14 1njj s MET 315 Cb -0.02 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 1njj s MET 315 CO 0.08 -0.05 -0.24 0.71 -0.01 0.00 0.00 175.02 175.51 1njj s TYR 316 N 0.80 2.09 -0.15 -0.03 1.51 0.24 -2.34 117.35 119.47 1njj s TYR 316 Ca -0.12 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1njj s TYR 316 Cb -0.14 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1njj s TYR 316 CO 0.01 0.16 -0.19 0.71 -1.11 0.00 0.00 175.55 175.13 1njj s TYR 317 N -0.88 2.72 0.26 2.71 1.51 -0.57 0.28 117.35 123.38 1njj s TYR 317 Ca 0.10 -1.17 0.11 0.00 -1.01 0.00 0.00 57.07 55.10 1njj s TYR 317 Cb -0.10 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1njj s TYR 317 CO 0.03 -0.53 -0.13 0.14 -1.11 0.00 0.00 175.55 173.95 1njj s VAL 318 N 0.79 2.85 -0.08 0.71 -7.23 0.36 0.69 120.40 118.48 1njj s VAL 318 Ca -0.07 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 57.95 1njj s VAL 318 Cb -0.16 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1njj s VAL 318 CO -0.00 -0.34 2.14 -0.46 -0.31 0.00 0.00 175.10 176.12 1njj n ASN 319 N -0.58 5.63 -3.62 4.85 6.94 -1.15 -2.07 115.26 125.27 1njj n ASN 319 Ca -0.07 -2.59 -0.08 0.00 -0.02 0.00 0.00 54.58 51.83 1njj n ASN 319 Cb 0.59 -1.14 -0.06 0.00 -2.36 0.00 0.00 39.78 36.81 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 1.54 -0.30 0.00 0.53 3.68 -1.26 -4.66 116.67 116.20 1njj s ASP 320 Ca 0.13 0.46 0.00 0.00 2.13 0.00 0.00 52.55 55.28 1njj s ASP 320 Cb 0.09 0.43 0.00 0.00 -1.45 0.00 0.00 42.92 41.99 1njj s ASP 320 CO -0.01 -0.18 0.00 0.61 0.13 0.00 0.00 175.17 175.72 1njj n GLY 321 N 1.34 1.55 0.66 2.66 0.00 -1.26 -4.39 105.19 105.75 1njj n GLY 321 Ca -0.10 -0.70 0.50 0.00 0.00 0.00 0.00 46.02 45.73 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 0.19 0.02 -0.21 1.61 -1.51 -1.88 1.01 116.25 115.48 1njj h VAL 322 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1njj h VAL 322 Cb 0.00 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.17 1njj h VAL 322 CO 0.00 0.00 0.02 -1.22 -1.23 0.00 0.00 177.57 175.15 1njj n TYR 323 N -4.10 0.73 -0.17 5.19 4.02 -1.26 -2.79 117.16 118.78 1njj n TYR 323 Ca 0.43 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1njj n TYR 323 Cb 1.91 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 40.96 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 0.18 4.04 0.59 2.72 0.00 0.35 -4.96 105.19 108.10 1njj n GLY 324 Ca 0.10 -0.33 0.36 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.52 1.61 0.02 -1.71 0.84 113.55 113.80 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 -3.45 1.26 0.27 3.45 3.01 -1.08 -4.10 117.46 116.83 1njj n PHE 326 Ca 0.30 -0.49 0.16 0.00 1.01 0.00 0.00 57.45 58.43 1njj n PHE 326 Cb 1.68 -0.24 0.82 0.00 -0.01 0.00 0.00 39.48 41.74 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 3.28 0.00 0.34 4.37 7.08 0.91 -1.10 115.58 130.46 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 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.57 1njj h ILE 329 N 0.00 1.52 0.03 0.00 2.04 -1.42 -0.37 117.51 119.31 1njj h ILE 329 Ca 0.00 -2.61 -0.38 0.00 1.00 0.00 0.00 64.86 62.86 1njj h ILE 329 Cb 0.17 2.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 1njj h ILE 329 CO 0.00 0.74 -2.37 0.18 0.00 0.00 0.00 178.15 176.70 1njj n LEU 330 N -3.61 2.90 0.06 1.44 4.77 -0.62 -3.91 117.00 118.03 1njj n LEU 330 Ca -0.01 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1njj n LEU 330 Cb 0.74 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1njj n LEU 330 CO 0.44 0.92 -0.31 1.88 -1.33 0.00 0.00 177.39 178.98 1njj h TYR 331 N 0.01 0.40 -0.08 -1.77 0.99 -0.90 -3.40 116.97 112.22 1njj h TYR 331 Ca -0.55 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 59.89 1njj h TYR 331 Cb 1.93 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 39.64 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 -3.43 2.54 -1.03 3.88 4.64 -0.44 -4.98 116.55 117.72 1njj n ASP 332 Ca -0.15 -2.56 -0.13 0.00 -1.38 0.00 0.00 54.79 50.56 1njj n ASP 332 Cb 1.04 -0.27 -0.06 0.00 -1.04 0.00 0.00 41.12 40.79 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 -0.72 0.00 -1.83 -0.67 8.25 -0.96 -4.93 115.22 114.36 1njj n HIS 333 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 1njj n HIS 333 Cb 0.51 -2.71 -0.01 0.00 1.12 0.00 0.00 29.99 28.91 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 -2.29 3.65 -0.21 -1.41 0.00 -0.28 -4.97 121.76 116.24 1njj s ALA 334 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1njj s ALA 334 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1njj s ALA 334 CO 0.00 -0.97 -0.13 0.08 0.00 0.00 0.00 175.76 174.74 1njj s VAL 335 N -0.53 1.92 0.30 0.00 1.01 -1.26 -4.48 120.40 117.36 1njj s VAL 335 Ca 0.58 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1njj s VAL 335 Cb -0.46 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1njj s VAL 335 CO 0.54 0.20 0.32 0.68 0.00 0.00 0.00 175.10 176.85 1njj s VAL 336 N 1.27 4.14 -0.20 2.92 -7.23 -1.26 -5.12 120.40 114.93 1njj s VAL 336 Ca -0.02 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1njj s VAL 336 Cb -0.17 -3.39 0.05 0.00 0.56 0.00 0.00 36.38 33.43 1njj s VAL 336 CO -0.08 -0.24 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.26 1njj s ARG 337 N -4.00 1.81 0.30 4.82 0.52 -1.26 -4.98 118.95 116.15 1njj s ARG 337 Ca 0.39 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 1njj s ARG 337 Cb -0.08 -2.36 -0.10 0.00 0.52 0.00 0.00 34.95 32.94 1njj s ARG 337 CO 0.28 -0.46 1.27 -1.25 0.02 0.00 0.00 175.30 175.15 1njj s PRO 338 N 1.45 4.42 -0.20 3.54 0.04 -1.26 -4.49 135.00 138.50 1njj s PRO 338 Ca -0.02 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 1njj s PRO 338 Cb -0.17 -3.12 0.07 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 -1.39 0.78 0.45 -3.56 2.96 0.12 -4.95 118.68 113.09 1njj s LEU 339 Ca 0.50 -0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 53.36 1njj s LEU 339 Cb -0.38 -0.42 -0.11 0.00 0.50 0.00 0.00 46.19 45.79 1njj s LEU 339 CO 0.48 -0.35 0.77 -2.65 -1.32 0.00 0.00 176.35 173.28 1njj n PRO 340 N 5.17 0.90 -0.50 0.98 -0.02 -1.26 0.12 135.00 140.38 1njj n PRO 340 Ca -0.07 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1njj n PRO 340 Cb 0.47 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 32.43 1njj n PRO 340 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njj n GLN 341 N 0.20 3.30 -3.92 -0.52 -0.00 -1.24 -4.58 117.38 110.61 1njj n GLN 341 Ca 0.11 -2.82 -0.30 0.00 -0.00 0.00 0.00 57.00 53.99 1njj n GLN 341 Cb 0.41 -1.86 -0.14 0.00 -0.00 0.00 0.00 30.24 28.65 1njj n GLN 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1njj s ARG 342 N -2.57 1.66 0.56 2.61 3.52 -1.26 -4.96 118.95 118.50 1njj s ARG 342 Ca 0.43 -2.22 -0.18 0.00 -0.13 0.00 0.00 55.73 53.63 1njj s ARG 342 Cb 0.33 -3.07 -0.11 0.00 -1.56 0.00 0.00 34.95 30.55 1njj s ARG 342 CO 0.12 -1.06 0.30 0.39 -0.81 0.00 0.00 175.30 174.24 1njj n GLU 343 N 3.61 0.33 -0.50 5.12 4.71 -1.26 -4.93 120.64 127.72 1njj n GLU 343 Ca 0.05 0.13 -0.27 0.00 -0.01 0.00 0.00 57.16 57.06 1njj n GLU 343 Cb 0.36 -1.47 0.21 0.00 -1.01 0.00 0.00 31.44 29.53 1njj n GLU 343 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1njj n PRO 344 N 0.46 -2.66 0.00 3.49 -0.02 -1.26 -5.09 135.00 129.92 1njj n PRO 344 Ca 0.10 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1njj n PRO 344 Cb 0.47 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1njj n PRO 344 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1njj n ILE 345 N -4.82 0.00 0.00 4.25 -5.35 -1.26 -5.15 119.36 107.03 1njj n ILE 345 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1njj n ILE 345 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1njj n ILE 345 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1njj n PRO 346 N 0.00 0.00 -1.01 6.28 -0.04 -1.26 -4.89 135.00 134.08 1njj n PRO 346 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1njj n PRO 346 Cb 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 33.68 1njj n PRO 346 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1njj n ASN 347 N 0.00 4.10 -3.64 3.54 2.85 -1.26 -5.01 115.26 115.84 1njj n ASN 347 Ca 0.00 -3.26 -0.37 0.00 -0.11 0.00 0.00 54.58 50.83 1njj n ASN 347 Cb 0.00 -0.76 -0.01 0.00 1.24 0.00 0.00 39.78 40.24 1njj n ASN 347 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1njj n GLU 348 N -0.54 0.00 -3.12 1.20 1.02 -1.26 -4.87 120.64 113.07 1njj n GLU 348 Ca 0.45 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.20 1njj n GLU 348 Cb 1.42 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 31.95 1njj n GLU 348 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1njj s LYS 349 N -0.84 4.39 0.02 3.49 2.20 -1.26 -5.03 119.74 122.71 1njj s LYS 349 Ca 0.51 0.83 0.04 0.00 -0.36 0.00 0.00 55.97 57.00 1njj s LYS 349 Cb -0.65 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 1njj s LYS 349 CO 0.50 0.25 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.13 1njj s LEU 350 N 0.19 3.02 0.09 5.43 1.02 -1.26 -4.34 118.68 122.82 1njj s LEU 350 Ca 0.34 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.32 1njj s LEU 350 Cb -0.18 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1njj s LEU 350 CO 0.18 0.27 -0.13 -0.31 0.02 0.00 0.00 176.35 176.38 1njj s TYR 351 N -0.99 1.23 0.17 0.29 1.51 -0.15 -4.86 117.35 114.55 1njj s TYR 351 Ca 0.17 -0.53 -0.32 0.00 -1.01 0.00 0.00 57.07 55.38 1njj s TYR 351 Cb -0.11 -0.67 -0.11 0.00 -0.11 0.00 0.00 41.96 40.96 1njj s TYR 351 CO 0.07 0.07 1.68 -1.25 -1.11 0.00 0.00 175.55 175.01 1njj s PRO 352 N -2.21 4.16 0.06 -1.71 0.04 -1.26 -1.81 135.00 132.26 1njj s PRO 352 Ca 0.02 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1njj s PRO 352 Cb -0.07 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 1njj s PRO 352 CO 0.02 -0.72 0.01 0.43 0.04 0.00 0.00 177.00 176.79 1njj n SER 353 N 4.33 1.48 -3.63 6.66 7.64 -0.10 -1.23 113.62 128.77 1njj n SER 353 Ca 0.15 -1.29 -0.12 0.00 1.01 0.00 0.00 58.87 58.63 1njj n SER 353 Cb 0.37 0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.35 -0.61 0.18 6.43 1.04 -0.99 -2.12 113.70 116.28 1njj s SER 354 Ca 0.02 1.16 0.08 0.00 0.48 0.00 0.00 55.95 57.69 1njj s SER 354 Cb 0.00 1.17 -0.04 0.00 0.10 0.00 0.00 66.02 67.25 1njj s SER 354 CO 0.01 -0.21 -0.04 -0.69 0.98 0.00 0.00 173.24 173.28 1njj s VAL 355 N 0.26 3.47 0.02 5.02 1.01 -0.95 0.79 120.40 130.02 1njj s VAL 355 Ca 0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1njj s VAL 355 Cb -0.05 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1njj s VAL 355 CO -0.02 -0.12 0.06 0.26 0.00 0.00 0.00 175.10 175.29 1njj s TRP 356 N -1.74 0.16 0.68 5.22 0.52 0.14 -2.31 118.94 121.61 1njj s TRP 356 Ca 0.26 -0.36 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 1njj s TRP 356 Cb -0.09 -0.12 -0.00 0.00 -1.15 0.00 0.00 33.47 32.10 1njj s TRP 356 CO 0.17 -0.27 1.05 0.20 0.02 0.00 0.00 176.95 178.13 1njj s GLY 357 N -1.57 1.69 0.00 0.98 0.00 -0.12 -0.49 107.32 107.82 1njj s GLY 357 Ca -0.13 0.07 0.16 0.00 0.00 0.00 0.00 44.72 44.82 1njj s GLY 357 CO -0.01 0.37 1.42 -1.55 0.00 0.00 0.00 173.10 173.34 1njj n PRO 358 N -3.00 0.37 -3.10 2.90 -0.04 -0.88 -4.72 135.00 126.53 1njj n PRO 358 Ca 0.07 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 1njj n PRO 358 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.28 4.62 -1.23 0.52 2.01 -1.26 -4.97 115.64 113.05 1njj s THR 359 Ca 0.20 1.09 0.10 0.00 0.31 0.00 0.00 61.69 63.38 1njj s THR 359 Cb 0.11 -3.68 0.13 0.00 0.01 0.00 0.00 72.50 69.07 1njj s THR 359 CO 0.22 -0.09 1.25 0.00 -0.69 0.00 0.00 174.62 175.30 1njj s ASP 361 N -2.77 6.97 0.00 0.00 -1.08 -1.26 -4.88 116.67 113.64 1njj s ASP 361 Ca 0.07 1.84 0.16 0.00 -0.52 0.00 0.00 52.55 54.10 1njj s ASP 361 Cb 0.06 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.85 1njj s ASP 361 CO 0.16 -0.68 1.39 0.61 0.52 0.00 0.00 175.17 177.17 1njj n GLY 362 N 3.53 -0.62 0.06 2.66 0.00 -1.26 -1.23 105.19 108.33 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 -1.12 0.46 -3.45 0.99 7.94 -1.26 -4.56 117.00 116.01 1njj n LEU 363 Ca 0.10 0.14 -0.35 0.00 -1.11 0.00 0.00 56.01 54.79 1njj n LEU 363 Cb 0.08 -0.04 -0.04 0.00 0.53 0.00 0.00 43.42 43.96 1njj n LEU 363 CO 0.10 -0.08 2.27 -0.67 -1.11 0.00 0.00 177.39 177.91 1njj n ASP 364 N -2.40 3.67 -4.40 1.96 -0.08 -0.36 -4.83 116.55 110.10 1njj n ASP 364 Ca -0.01 -2.55 -0.33 0.00 -1.51 0.00 0.00 54.79 50.39 1njj n ASP 364 Cb 0.54 -1.15 -0.14 0.00 2.34 0.00 0.00 41.12 42.71 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 4.20 3.22 -0.24 -0.67 0.74 -1.26 -0.94 119.66 124.71 1njj s GLN 365 Ca 0.50 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 55.05 1njj s GLN 365 Cb 0.13 -2.59 -0.15 0.00 1.10 0.00 0.00 33.01 31.50 1njj s GLN 365 CO 0.04 0.30 -0.08 -0.89 -0.55 0.00 0.00 175.29 174.11 1njj n ILE 366 N 3.28 1.53 -4.64 -2.34 5.41 -0.98 -4.83 119.36 116.79 1njj n ILE 366 Ca -0.18 -0.20 -0.26 0.00 1.00 0.00 0.00 62.75 63.12 1njj n ILE 366 Cb 0.53 -1.97 -0.14 0.00 -0.71 0.00 0.00 39.64 37.34 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 -0.13 1.39 1.01 -1.09 -4.78 120.40 116.03 1njj s VAL 367 Ca -0.34 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 1njj s VAL 367 Cb 0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1njj s VAL 367 CO 0.53 0.20 -0.20 1.21 0.00 0.00 0.00 175.10 176.85 1njj n GLU 368 N 1.83 0.42 -3.39 2.72 2.13 -1.26 -2.24 120.64 120.84 1njj n GLU 368 Ca -0.17 0.40 -0.20 0.00 0.66 0.00 0.00 57.16 57.85 1njj n GLU 368 Cb 0.53 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 1njj n GLU 368 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1njj s ARG 369 N -2.26 0.57 -0.07 5.31 3.52 -1.21 -4.13 118.95 120.67 1njj s ARG 369 Ca -0.17 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.61 1njj s ARG 369 Cb 0.02 -0.85 0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1njj s ARG 369 CO 0.25 -1.17 -0.16 -0.47 -0.81 0.00 0.00 175.30 172.93 1njj s TYR 370 N 1.49 1.78 -0.16 5.12 5.04 -0.90 -4.82 117.35 124.90 1njj s TYR 370 Ca 0.16 -0.66 -0.29 0.00 -2.44 0.00 0.00 57.07 53.84 1njj s TYR 370 Cb -0.17 -1.25 -0.03 0.00 0.35 0.00 0.00 41.96 40.87 1njj s TYR 370 CO -0.07 -0.29 1.46 0.71 -1.34 0.00 0.00 175.55 176.02 1njj s TYR 371 N 0.46 2.40 0.12 4.97 1.51 -1.26 -0.93 117.35 124.62 1njj s TYR 371 Ca -0.14 0.65 0.02 0.00 -1.01 0.00 0.00 57.07 56.59 1njj s TYR 371 Cb -0.16 -3.79 -0.04 0.00 -0.11 0.00 0.00 41.96 37.87 1njj s TYR 371 CO 0.05 -2.61 -0.05 -0.51 -1.11 0.00 0.00 175.55 171.32 1njj s LEU 372 N 4.18 2.40 0.77 -1.29 1.43 -0.75 -4.85 118.68 120.57 1njj s LEU 372 Ca 0.64 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1njj s LEU 372 Cb -0.25 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 45.96 1njj s LEU 372 CO 0.23 -0.49 1.08 -2.16 0.23 0.00 0.00 176.35 175.24 1njj s PRO 373 N -3.86 2.32 0.11 1.29 0.04 -1.26 -0.98 135.00 132.66 1njj s PRO 373 Ca 0.15 0.81 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1njj s PRO 373 Cb 0.05 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1njj s PRO 373 CO -0.02 -1.50 1.60 -2.00 0.04 0.00 0.00 177.00 175.12 1njj s GLU 374 N -5.08 4.21 0.47 4.56 2.12 -1.26 -4.86 118.70 118.86 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 -0.15 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.85 1njj s GLU 374 CO 0.55 -0.67 0.53 -1.64 -0.54 0.00 0.00 175.26 173.50 1njj s MET 375 N 1.99 2.53 -0.01 4.30 -1.94 -1.26 -5.13 119.30 119.78 1njj s MET 375 Ca 0.72 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1njj s MET 375 Cb -0.41 -2.52 0.01 0.00 2.01 0.00 0.00 34.83 33.92 1njj s MET 375 CO 0.32 -0.43 -0.01 -0.65 -0.01 0.00 0.00 175.02 174.24 1njj s GLN 376 N -4.34 0.15 0.13 2.03 -1.52 -1.26 -5.09 119.66 109.76 1njj s GLN 376 Ca 0.51 -0.02 -0.34 0.00 -1.95 0.00 0.00 55.36 53.57 1njj s GLN 376 Cb -0.06 -0.20 -0.17 0.00 -0.22 0.00 0.00 33.01 32.36 1njj s GLN 376 CO 0.31 -0.01 0.96 0.28 -0.25 0.00 0.00 175.29 176.58 1njj n VAL 377 N 3.32 0.95 0.00 1.09 0.31 -1.26 -0.33 118.33 122.41 1njj n VAL 377 Ca -0.16 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1njj n VAL 377 Cb 0.57 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 2.25 3.85 2.92 0.00 0.66 -5.01 105.19 111.70 1njj n GLY 378 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.88 4.02 0.35 1.61 2.02 0.55 -4.78 118.70 121.60 1njj s GLU 379 Ca 0.00 0.66 -0.09 0.00 0.02 0.00 0.00 54.97 55.55 1njj s GLU 379 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 1njj s GLU 379 CO 0.00 0.23 0.69 -1.58 0.02 0.00 0.00 175.26 174.61 1njj s TRP 380 N -1.87 3.46 -0.02 1.61 0.52 -1.26 -0.90 118.94 120.47 1njj s TRP 380 Ca 0.51 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.60 1njj s TRP 380 Cb -0.12 -2.34 -0.00 0.00 -1.15 0.00 0.00 33.47 29.86 1njj s TRP 380 CO 0.18 0.02 -0.10 -0.51 0.02 0.00 0.00 176.95 176.56 1njj s LEU 381 N -3.59 1.88 0.09 2.99 1.43 0.14 -3.61 118.68 118.02 1njj s LEU 381 Ca 0.49 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1njj s LEU 381 Cb -0.10 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1njj s LEU 381 CO 0.29 0.10 -0.10 -0.76 0.23 0.00 0.00 176.35 176.10 1njj s LEU 382 N 0.03 3.03 -0.12 1.79 1.43 0.12 -0.09 118.68 124.87 1njj s LEU 382 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1njj s LEU 382 Cb -0.07 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1njj s LEU 382 CO 0.00 0.19 -0.01 -0.36 0.23 0.00 0.00 176.35 176.40 1njj s PHE 383 N -1.19 1.02 0.37 0.29 0.40 0.13 0.13 117.98 119.13 1njj s PHE 383 Ca 0.21 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1njj s PHE 383 Cb -0.11 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1njj s PHE 383 CO 0.13 -0.46 0.56 -1.21 0.70 0.00 0.00 175.22 174.94 1njj s GLU 384 N 1.86 3.27 -1.01 0.44 2.02 -1.26 0.77 118.70 124.79 1njj s GLU 384 Ca 0.03 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.43 1njj s GLU 384 Cb -0.14 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.36 1njj s GLU 384 CO -0.07 0.01 0.88 -0.25 0.02 0.00 0.00 175.26 175.86 1njj n ASP 385 N -1.83 -6.02 -2.29 -0.19 8.00 -0.92 -4.86 116.55 108.44 1njj n ASP 385 Ca -0.02 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.72 1njj n ASP 385 Cb 0.57 -4.97 0.05 0.00 -0.02 0.00 0.00 41.12 36.75 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 -3.22 2.33 -0.00 -1.24 2.81 -0.54 -4.77 117.12 112.48 1njj n MET 386 Ca -0.09 -3.65 0.08 0.00 -1.81 0.00 0.00 57.70 52.23 1njj n MET 386 Cb 0.62 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.59 -0.58 3.54 3.03 0.00 -0.81 -4.73 105.19 105.05 1njj n GLY 387 Ca 0.22 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.75 3.49 -1.20 4.61 0.00 -1.26 -4.50 121.76 120.15 1njj s ALA 388 Ca 0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1njj s ALA 388 Cb 0.11 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1njj s ALA 388 CO 0.65 -1.12 0.83 0.66 0.00 0.00 0.00 175.76 176.77 1njj n TYR 389 N 5.40 -2.10 0.00 0.00 4.02 0.12 -4.90 117.16 119.70 1njj n TYR 389 Ca -0.09 0.81 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 1njj n TYR 389 Cb 0.49 -4.35 0.00 0.00 -0.02 0.00 0.00 39.34 35.47 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 -3.99 0.00 -4.26 -0.72 -2.24 -1.26 -4.31 114.28 97.50 1njj n THR 390 Ca -0.22 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 1njj n THR 390 Cb 0.65 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 1njj n THR 390 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1njj s VAL 391 N -1.35 3.85 -0.60 2.28 -7.23 -1.26 -4.11 120.40 111.98 1njj s VAL 391 Ca 0.00 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1njj s VAL 391 Cb 0.00 -2.77 0.29 0.00 0.56 0.00 0.00 36.38 34.46 1njj s VAL 391 CO 0.00 0.24 0.81 -1.20 -0.31 0.00 0.00 175.10 174.64 1njj n SER 402 N 0.99 3.83 -4.75 4.85 7.64 -1.26 -4.72 113.62 120.21 1njj n SER 402 Ca -0.13 -3.50 -0.41 0.00 1.01 0.00 0.00 58.87 55.84 1njj n SER 402 Cb 0.52 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 1njj n SER 402 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1njj s PRO 403 N -2.80 4.28 0.33 1.43 0.02 -1.26 -4.90 135.00 132.10 1njj s PRO 403 Ca 0.43 2.28 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 1njj s PRO 403 Cb 0.20 -3.11 -0.11 0.00 0.02 0.00 0.00 34.50 31.51 1njj s PRO 403 CO -0.06 -0.40 1.42 0.99 -0.33 0.00 0.00 177.00 178.62 1njj s THR 404 N -0.08 2.40 -0.09 0.99 2.01 -1.25 -4.67 115.64 114.94 1njj s THR 404 Ca 0.58 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 1njj s THR 404 Cb -0.41 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1njj s THR 404 CO 0.44 0.08 0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 1njj s ILE 405 N -0.84 4.70 -0.04 1.82 1.01 -1.26 -0.72 121.20 125.88 1njj s ILE 405 Ca 0.53 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.12 1njj s ILE 405 Cb -0.43 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1njj s ILE 405 CO 0.55 0.59 -0.22 -0.31 0.00 0.00 0.00 174.94 175.55 1njj s TYR 406 N -0.95 2.08 -0.15 3.97 1.51 0.19 -4.91 117.35 119.08 1njj s TYR 406 Ca 0.14 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1njj s TYR 406 Cb -0.12 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1njj s TYR 406 CO 0.04 -0.13 -0.06 0.71 -1.11 0.00 0.00 175.55 175.00 1njj s TYR 407 N -0.26 2.97 -0.17 2.71 1.51 -1.26 0.37 117.35 123.22 1njj s TYR 407 Ca 0.01 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1njj s TYR 407 Cb -0.11 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1njj s TYR 407 CO 0.01 -0.09 -0.09 0.14 -1.11 0.00 0.00 175.55 174.41 1njj s VAL 408 N 0.40 3.29 0.00 0.71 -7.23 0.11 -4.93 120.40 112.76 1njj s VAL 408 Ca -0.05 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1njj s VAL 408 Cb -0.15 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1njj s VAL 408 CO 0.03 0.49 0.22 0.55 -0.31 0.00 0.00 175.10 176.08