#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbw s ASN 2 N 0.00 1.63 -0.36 3.17 2.47 -1.26 -5.09 114.94 115.51 3kbw s ASN 2 Ca 0.00 -0.93 0.14 0.00 0.42 0.00 0.00 52.86 52.49 3kbw s ASN 2 Cb 0.00 0.00 0.40 0.00 -1.45 0.00 0.00 41.25 40.20 3kbw s ASN 2 CO 0.00 -0.31 0.93 -1.22 -3.72 0.00 0.00 177.10 172.78 3kbw n TYR 3 N 0.12 -0.00 -3.09 0.43 4.01 -1.26 -5.09 117.16 112.28 3kbw n TYR 3 Ca -0.13 -3.01 -0.40 0.00 -0.16 0.00 0.00 57.90 54.20 3kbw n TYR 3 Cb 0.59 0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.59 3kbw n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3kbw s GLN 4 N -2.17 4.18 0.52 -0.72 0.74 -1.26 -4.66 119.66 116.30 3kbw s GLN 4 Ca 0.31 0.64 -0.18 0.00 0.05 0.00 0.00 55.36 56.18 3kbw s GLN 4 Cb 0.40 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.83 3kbw s GLN 4 CO -0.03 -0.33 1.02 -1.25 -0.55 0.00 0.00 175.29 174.16 3kbw s PRO 5 N 2.20 3.73 0.13 1.67 0.04 -1.26 -5.07 135.00 136.44 3kbw s PRO 5 Ca 0.29 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.55 3kbw s PRO 5 Cb -0.16 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3kbw s PRO 5 CO 0.10 -0.47 -0.14 0.95 0.04 0.00 0.00 177.00 177.48 3kbw s THR 6 N -2.35 1.35 0.60 1.26 -4.23 -1.26 -4.63 115.64 106.38 3kbw s THR 6 Ca 0.63 -1.79 0.28 0.00 -1.18 0.00 0.00 61.69 59.63 3kbw s THR 6 Cb -0.13 -1.60 0.36 0.00 1.34 0.00 0.00 72.50 72.46 3kbw s THR 6 CO 0.28 -0.46 1.88 -0.65 -0.54 0.00 0.00 174.62 175.13 3kbw h PRO 7 N 3.37 0.00 0.00 3.99 0.11 -1.79 0.14 132.00 137.81 3kbw h PRO 7 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3kbw h PRO 7 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kbw h PRO 7 CO 0.53 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.24 3kbw h GLU 8 N 0.00 0.00 0.00 1.05 5.08 -1.96 -1.80 114.58 116.95 3kbw h GLU 8 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kbw h GLU 8 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3kbw h GLU 8 CO -0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3kbw n ASP 9 N -3.10 0.05 -2.63 1.42 8.00 0.48 -4.92 116.55 115.86 3kbw n ASP 9 Ca -0.02 0.51 -0.20 0.00 0.71 0.00 0.00 54.79 55.80 3kbw n ASP 9 Cb 0.17 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3kbw n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kbw n ARG 10 N -1.56 -4.05 -2.64 -1.24 1.74 -0.68 -4.68 116.66 103.55 3kbw n ARG 10 Ca 0.04 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 3kbw n ARG 10 Cb 0.23 -5.46 -0.04 0.00 -1.02 0.00 0.00 32.46 26.17 3kbw n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kbw s PHE 11 N -3.09 3.69 0.11 -1.55 0.08 -1.26 -0.91 117.98 115.05 3kbw s PHE 11 Ca 0.24 1.67 0.03 0.00 0.12 0.00 0.00 56.93 58.99 3kbw s PHE 11 Cb -0.11 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 3kbw s PHE 11 CO 0.30 -0.19 -0.08 0.95 -0.10 0.00 0.00 175.22 176.09 3kbw s THR 12 N 0.31 0.86 -0.00 0.64 -4.23 -0.30 0.05 115.64 112.97 3kbw s THR 12 Ca 0.50 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3kbw s THR 12 Cb -0.25 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3kbw s THR 12 CO 0.30 -0.77 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.25 3kbw s PHE 13 N -3.25 0.07 0.45 3.99 0.40 -0.99 -1.13 117.98 117.52 3kbw s PHE 13 Ca 0.11 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.22 3kbw s PHE 13 Cb 0.03 -0.05 -0.09 0.00 0.51 0.00 0.00 43.02 43.42 3kbw s PHE 13 CO -0.02 -0.00 1.04 0.20 0.70 0.00 0.00 175.22 177.13 3kbw s GLY 14 N 0.01 2.59 0.40 4.36 0.00 -1.24 -1.59 107.32 111.85 3kbw s GLY 14 Ca 0.00 0.63 0.11 0.00 0.00 0.00 0.00 44.72 45.46 3kbw s GLY 14 CO -0.00 0.99 1.95 1.41 0.00 0.00 0.00 173.10 177.45 3kbw h LEU 15 N 1.91 0.50 0.00 0.66 3.38 -1.53 -1.93 115.31 118.31 3kbw h LEU 15 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kbw h LEU 15 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kbw h LEU 15 CO 0.60 0.30 0.00 -2.67 0.09 0.00 0.00 178.44 176.76 3kbw n TRP 16 N -4.49 0.00 0.00 1.13 2.14 -1.26 -1.84 117.44 113.12 3kbw n TRP 16 Ca 0.12 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.69 3kbw n TRP 16 Cb 0.37 -0.27 0.00 0.00 -0.81 0.00 0.00 31.31 30.60 3kbw n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3kbw n THR 17 N -1.27 0.00 0.32 -1.67 -2.24 -0.73 -2.81 114.28 105.88 3kbw n THR 17 Ca 0.12 0.25 0.19 0.00 -2.27 0.00 0.00 64.05 62.33 3kbw n THR 17 Cb 0.19 -0.89 1.06 0.00 -2.10 0.00 0.00 70.33 68.58 3kbw n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3kbw h VAL 18 N 0.00 0.28 -0.09 2.28 -1.51 -1.72 -1.36 116.25 114.12 3kbw h VAL 18 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kbw h VAL 18 Cb 0.00 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 3kbw h VAL 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kbw n GLY 19 N -1.21 -0.16 3.69 5.19 0.00 -0.77 -4.90 105.19 107.04 3kbw n GLY 19 Ca -0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3kbw n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kbw s TRP 20 N -1.88 2.51 -1.37 1.61 -0.00 -0.51 -4.66 118.94 114.63 3kbw s TRP 20 Ca 0.33 0.38 0.28 0.00 -0.00 0.00 0.00 56.10 57.09 3kbw s TRP 20 Cb 0.17 -3.94 1.12 0.00 -0.00 0.00 0.00 33.47 30.82 3kbw s TRP 20 CO 0.27 -3.73 1.81 1.04 -0.00 0.00 0.00 176.95 176.34 3kbw n GLN 21 N 5.43 0.39 -0.04 5.86 6.02 -1.26 -4.88 117.38 128.89 3kbw n GLN 21 Ca 0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kbw n GLN 21 Cb 0.41 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.17 3kbw n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kbw n GLY 22 N 1.37 0.98 3.70 1.08 0.00 -1.26 -0.63 105.19 110.43 3kbw n GLY 22 Ca 0.11 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kbw n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbw s ARG 23 N -0.92 4.47 0.35 1.61 3.52 -1.26 -4.37 118.95 122.34 3kbw s ARG 23 Ca 0.00 1.52 0.02 0.00 -0.13 0.00 0.00 55.73 57.14 3kbw s ARG 23 Cb 0.00 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3kbw s ARG 23 CO 0.00 -0.22 0.08 -0.40 -0.81 0.00 0.00 175.30 173.95 3kbw n ASP 24 N 4.38 1.77 0.18 -2.12 5.68 -0.83 -4.99 116.55 120.63 3kbw n ASP 24 Ca 0.08 -2.74 0.13 0.00 -0.50 0.00 0.00 54.79 51.76 3kbw n ASP 24 Cb 0.49 0.66 0.64 0.00 -1.14 0.00 0.00 41.12 41.76 3kbw n ASP 24 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3kbw h PRO 25 N 0.00 0.00 -0.04 0.11 0.11 -2.01 -2.96 132.00 127.20 3kbw h PRO 25 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kbw h PRO 25 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kbw h PRO 25 CO 0.45 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.43 3kbw n PHE 26 N -2.44 0.06 -3.51 0.65 3.72 -1.26 -5.07 117.46 109.61 3kbw n PHE 26 Ca -0.00 -0.54 -0.16 0.00 -0.05 0.00 0.00 57.45 56.70 3kbw n PHE 26 Cb 0.14 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 3kbw n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kbw s GLY 27 N -1.16 -0.56 0.83 1.37 0.00 -1.12 -5.16 107.32 101.52 3kbw s GLY 27 Ca 0.06 1.01 -0.12 0.00 0.00 0.00 0.00 44.72 45.67 3kbw s GLY 27 CO 0.02 0.67 1.14 0.99 0.00 0.00 0.00 173.10 175.92 3kbw s ASP 28 N -1.66 4.26 0.48 1.64 1.01 -1.26 -1.96 116.67 119.18 3kbw s ASP 28 Ca -0.08 0.95 -0.24 0.00 0.71 0.00 0.00 52.55 53.89 3kbw s ASP 28 Cb -0.00 -1.54 -0.07 0.00 1.01 0.00 0.00 42.92 42.31 3kbw s ASP 28 CO 0.03 -2.08 1.42 0.00 0.21 0.00 0.00 175.17 174.75 3kbw n ALA 29 N -3.46 1.95 0.47 5.23 0.00 -1.26 -4.36 120.51 119.09 3kbw n ALA 29 Ca 0.07 0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.77 3kbw n ALA 29 Cb 0.59 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 3kbw n ALA 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kbw n THR 30 N -0.45 0.00 -4.20 0.00 -2.24 0.20 -4.93 114.28 102.67 3kbw n THR 30 Ca 0.07 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.36 3kbw n THR 30 Cb 0.42 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.56 3kbw n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kbw s ARG 31 N -1.82 0.88 0.78 -0.78 0.52 -0.67 -5.01 118.95 112.85 3kbw s ARG 31 Ca 0.05 -0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 54.16 3kbw s ARG 31 Cb 0.08 -0.94 0.06 0.00 0.52 0.00 0.00 34.95 34.67 3kbw s ARG 31 CO 0.38 0.21 1.08 -0.98 0.02 0.00 0.00 175.30 176.01 3kbw s ARG 32 N -1.75 2.26 0.50 3.54 1.70 -1.26 -4.71 118.95 119.24 3kbw s ARG 32 Ca -0.00 0.85 -0.22 0.00 -0.47 0.00 0.00 55.73 55.89 3kbw s ARG 32 Cb -0.10 -1.92 -0.06 0.00 -0.57 0.00 0.00 34.95 32.29 3kbw s ARG 32 CO 0.03 -1.55 1.18 0.00 -1.08 0.00 0.00 175.30 173.88 3kbw s ALA 33 N -3.05 2.86 -0.15 7.88 0.00 -1.26 -4.88 121.76 123.16 3kbw s ALA 33 Ca 0.60 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.44 3kbw s ALA 33 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3kbw s ALA 33 CO 0.55 -0.80 0.15 -0.51 0.00 0.00 0.00 175.76 175.15 3kbw s LEU 34 N -3.32 4.30 0.16 0.00 1.43 -1.26 -5.07 118.68 114.91 3kbw s LEU 34 Ca 0.67 0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 3kbw s LEU 34 Cb -0.29 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 3kbw s LEU 34 CO 0.34 0.29 1.34 -0.62 0.23 0.00 0.00 176.35 177.94 3kbw s ASP 35 N -0.32 6.86 0.47 2.29 -1.08 -1.26 -4.90 116.67 118.73 3kbw s ASP 35 Ca 0.12 2.36 0.25 0.00 -0.52 0.00 0.00 52.55 54.76 3kbw s ASP 35 Cb -0.12 -2.60 1.29 0.00 -1.46 0.00 0.00 42.92 40.04 3kbw s ASP 35 CO 0.02 -0.59 1.84 -0.65 0.52 0.00 0.00 175.17 176.31 3kbw h PRO 36 N 6.06 0.20 -0.56 4.34 0.11 -1.98 0.86 132.00 141.03 3kbw h PRO 36 Ca -0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3kbw h PRO 36 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kbw h PRO 36 CO 0.81 0.13 -0.04 0.28 -0.21 0.00 0.00 178.00 178.98 3kbw h VAL 37 N 0.21 1.26 -0.50 3.15 2.07 -1.93 -0.94 116.25 119.57 3kbw h VAL 37 Ca 0.49 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 3kbw h VAL 37 Cb 1.58 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3kbw h VAL 37 CO -0.12 0.42 -0.14 -0.08 0.02 0.00 0.00 177.57 177.66 3kbw h GLU 38 N 0.90 0.99 -0.71 1.57 4.57 -1.23 -2.28 114.58 118.39 3kbw h GLU 38 Ca 0.16 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 3kbw h GLU 38 Cb 0.58 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 3kbw h GLU 38 CO 0.03 1.06 0.45 0.77 -1.18 0.00 0.00 179.01 180.15 3kbw h SER 39 N 0.85 0.76 -0.32 1.04 0.02 -1.10 -0.92 113.55 113.88 3kbw h SER 39 Ca 0.12 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kbw h SER 39 Cb 0.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3kbw h SER 39 CO 0.05 0.54 0.20 0.58 -1.14 0.00 0.00 176.83 177.06 3kbw h VAL 40 N 0.90 1.06 -0.48 2.27 2.07 -0.96 -0.58 116.25 120.53 3kbw h VAL 40 Ca 0.27 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3kbw h VAL 40 Cb -0.03 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3kbw h VAL 40 CO -0.09 0.07 0.27 0.03 0.02 0.00 0.00 177.57 177.88 3kbw h ARG 41 N 0.40 0.66 -0.45 1.57 3.08 -1.09 -0.82 114.38 117.74 3kbw h ARG 41 Ca 0.12 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3kbw h ARG 41 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kbw h ARG 41 CO -0.04 0.50 -0.09 0.00 -1.07 0.00 0.00 179.97 179.27 3kbw h ARG 42 N 0.63 0.85 -0.44 0.04 2.47 -0.93 -2.33 114.38 114.67 3kbw h ARG 42 Ca 0.17 -0.32 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 3kbw h ARG 42 Cb 0.03 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3kbw h ARG 42 CO -0.03 0.95 -0.07 -0.07 0.56 0.00 0.00 179.97 181.31 3kbw h LEU 43 N 0.68 0.74 -1.02 3.04 3.38 -1.02 -2.22 115.31 118.90 3kbw h LEU 43 Ca 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kbw h LEU 43 Cb 0.62 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3kbw h LEU 43 CO 0.04 0.86 0.60 0.00 0.09 0.00 0.00 178.44 180.03 3kbw h ALA 44 N 1.22 1.27 0.00 1.53 0.00 -0.98 -1.43 119.26 120.87 3kbw h ALA 44 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kbw h ALA 44 Cb 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kbw h ALA 44 CO 0.03 0.65 -0.22 0.93 0.00 0.00 0.00 179.25 180.64 3kbw h GLU 45 N 1.30 0.00 -0.00 0.00 5.08 -1.00 -2.19 114.58 117.76 3kbw h GLU 45 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3kbw h GLU 45 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3kbw h GLU 45 CO -0.07 0.22 -0.03 1.28 -1.00 0.00 0.00 179.01 179.41 3kbw n LEU 46 N -3.85 0.04 0.00 1.33 4.77 -0.59 -4.92 117.00 113.78 3kbw n LEU 46 Ca -0.02 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3kbw n LEU 46 Cb 0.31 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3kbw n LEU 46 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kbw n GLY 47 N 1.45 1.12 3.76 -0.72 0.00 -0.82 -4.71 105.19 105.27 3kbw n GLY 47 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3kbw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw s ALA 48 N -2.00 2.44 -0.05 4.61 0.00 -0.90 -3.28 121.76 122.57 3kbw s ALA 48 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.72 3kbw s ALA 48 Cb 0.00 -3.37 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 3kbw s ALA 48 CO 0.00 -1.31 0.62 1.25 0.00 0.00 0.00 175.76 176.32 3kbw h HIS 49 N 0.23 0.17 -2.20 0.00 -0.00 -0.64 -3.42 115.15 109.28 3kbw h HIS 49 Ca -0.48 -0.12 0.24 0.00 -0.00 0.00 0.00 60.37 60.01 3kbw h HIS 49 Cb 1.26 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.60 3kbw h HIS 49 CO 0.52 1.24 0.69 0.20 -0.00 0.00 0.00 177.93 180.59 3kbw s GLY 50 N -5.21 -0.09 0.15 5.26 0.00 -1.12 -2.19 107.32 104.12 3kbw s GLY 50 Ca -0.10 0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.68 3kbw s GLY 50 CO 0.81 2.43 -0.09 -1.34 0.00 0.00 0.00 173.10 174.92 3kbw s VAL 51 N -2.34 1.08 0.24 1.40 -7.23 -0.40 -2.36 120.40 110.79 3kbw s VAL 51 Ca 0.21 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 3kbw s VAL 51 Cb -0.01 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3kbw s VAL 51 CO 0.02 -0.72 -0.03 0.42 -0.31 0.00 0.00 175.10 174.47 3kbw s THR 52 N -3.39 1.25 0.03 5.32 -4.23 -0.62 -3.95 115.64 110.05 3kbw s THR 52 Ca 0.17 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 3kbw s THR 52 Cb 0.03 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.57 3kbw s THR 52 CO 0.01 -0.35 0.35 0.72 -0.54 0.00 0.00 174.62 174.80 3kbw s PHE 53 N -3.27 -0.19 0.36 3.99 -0.71 -1.25 -1.15 117.98 115.76 3kbw s PHE 53 Ca 0.28 0.16 -0.17 0.00 -1.04 0.00 0.00 56.93 56.16 3kbw s PHE 53 Cb 0.05 0.14 -0.10 0.00 -1.21 0.00 0.00 43.02 41.91 3kbw s PHE 53 CO 0.09 -0.50 0.81 -1.01 -1.34 0.00 0.00 175.22 173.27 3kbw s HIS 54 N -2.17 3.36 0.25 3.49 3.76 -1.26 -1.54 115.29 121.18 3kbw s HIS 54 Ca -0.07 1.34 -0.10 0.00 -0.15 0.00 0.00 55.06 56.07 3kbw s HIS 54 Cb -0.02 -2.64 0.37 0.00 1.11 0.00 0.00 32.58 31.40 3kbw s HIS 54 CO -0.01 0.02 1.59 0.38 -0.85 0.00 0.00 174.74 175.87 3kbw h ASP 55 N 2.10 -0.76 0.83 1.40 2.03 -1.76 -0.58 116.42 119.68 3kbw h ASP 55 Ca -0.48 0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 3kbw h ASP 55 Cb 1.18 0.51 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 3kbw h ASP 55 CO 0.64 -0.27 0.00 0.47 -1.03 0.00 0.00 179.24 179.04 3kbw n ASP 56 N -5.53 0.04 0.12 4.15 8.00 -1.26 -1.06 116.55 121.01 3kbw n ASP 56 Ca 0.12 0.51 -0.01 0.00 0.71 0.00 0.00 54.79 56.12 3kbw n ASP 56 Cb 0.43 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3kbw n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kbw h ASP 57 N 0.00 0.00 0.03 -2.24 3.32 -1.49 -3.38 116.42 112.66 3kbw h ASP 57 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3kbw h ASP 57 Cb 0.41 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3kbw h ASP 57 CO 0.00 0.68 -2.33 -0.11 -1.72 0.00 0.00 179.24 175.76 3kbw n LEU 58 N -3.46 2.72 -4.04 1.55 7.94 -0.80 -4.86 117.00 116.04 3kbw n LEU 58 Ca 0.00 0.03 -0.32 0.00 -1.11 0.00 0.00 56.01 54.61 3kbw n LEU 58 Cb 0.73 -0.95 -0.15 0.00 0.53 0.00 0.00 43.42 43.58 3kbw n LEU 58 CO 0.42 0.84 -0.46 -0.63 -1.11 0.00 0.00 177.39 176.45 3kbw s ILE 59 N -2.52 1.97 0.24 1.96 1.01 -0.22 -4.87 121.20 118.77 3kbw s ILE 59 Ca -0.33 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.64 3kbw s ILE 59 Cb 0.09 -2.06 -0.14 0.00 0.01 0.00 0.00 42.46 40.36 3kbw s ILE 59 CO 0.62 0.07 1.16 -2.65 0.00 0.00 0.00 174.94 174.14 3kbw n PRO 60 N 4.53 1.49 -1.63 2.79 -0.02 -1.26 -4.17 135.00 136.73 3kbw n PRO 60 Ca -0.15 0.53 -0.49 0.00 -2.02 0.00 0.00 63.50 61.37 3kbw n PRO 60 Cb 0.44 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3kbw n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kbw n PHE 61 N 1.00 1.93 -0.08 6.00 -0.00 -1.26 -1.80 117.46 123.25 3kbw n PHE 61 Ca 0.11 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 3kbw n PHE 61 Cb 0.30 -2.45 0.00 0.00 -0.00 0.00 0.00 39.48 37.33 3kbw n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kbw n GLY 62 N 3.04 1.22 3.42 7.13 0.00 -1.26 -5.03 105.19 113.70 3kbw n GLY 62 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 3kbw n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbw n SER 63 N 0.00 -1.06 -4.76 1.61 7.64 -0.74 -4.96 113.62 111.34 3kbw n SER 63 Ca 0.00 1.07 -0.31 0.00 1.01 0.00 0.00 58.87 60.64 3kbw n SER 63 Cb 0.00 -1.01 0.09 0.00 -1.01 0.00 0.00 64.21 62.28 3kbw n SER 63 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kbw s SER 64 N -0.93 4.44 0.48 6.43 1.04 -1.26 -4.76 113.70 119.15 3kbw s SER 64 Ca 0.62 1.88 0.16 0.00 0.48 0.00 0.00 55.95 59.09 3kbw s SER 64 Cb -0.82 -2.53 1.16 0.00 0.10 0.00 0.00 66.02 63.93 3kbw s SER 64 CO 0.58 -2.08 2.07 0.44 0.98 0.00 0.00 173.24 175.23 3kbw h ASP 65 N -1.05 0.17 0.36 7.02 5.19 -1.99 0.19 116.42 126.32 3kbw h ASP 65 Ca -0.44 -0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.71 3kbw h ASP 65 Cb 1.24 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.72 3kbw h ASP 65 CO 0.51 0.11 -1.12 0.77 -3.12 0.00 0.00 179.24 176.40 3kbw h SER 66 N 0.20 0.61 -0.39 6.45 4.64 -2.00 -0.86 113.55 122.19 3kbw h SER 66 Ca 0.14 -0.55 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 3kbw h SER 66 Cb 0.30 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3kbw h SER 66 CO -0.02 1.38 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.92 3kbw h GLU 67 N 0.20 0.82 -0.28 4.77 5.08 -1.72 -2.64 114.58 120.82 3kbw h GLU 67 Ca -0.13 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 3kbw h GLU 67 Cb 1.79 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.88 3kbw h GLU 67 CO 0.20 0.86 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.71 3kbw h ARG 68 N 0.75 -0.25 -0.89 2.33 2.43 -0.40 -2.03 114.38 116.30 3kbw h ARG 68 Ca 0.13 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3kbw h ARG 68 Cb 0.54 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 3kbw h ARG 68 CO 0.03 -0.17 0.59 1.49 -1.51 0.00 0.00 179.97 180.40 3kbw h GLU 69 N -0.26 1.09 -0.31 0.20 4.81 -0.82 -1.89 114.58 117.39 3kbw h GLU 69 Ca 0.14 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 3kbw h GLU 69 Cb 0.49 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3kbw h GLU 69 CO -0.43 0.72 -0.43 1.49 -0.73 0.00 0.00 179.01 179.63 3kbw h GLU 70 N 1.12 0.80 -0.78 1.92 4.57 -1.13 -0.58 114.58 120.50 3kbw h GLU 70 Ca 0.35 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3kbw h GLU 70 Cb 0.01 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3kbw h GLU 70 CO -0.10 1.07 0.47 0.45 -1.18 0.00 0.00 179.01 179.72 3kbw h HIS 71 N 0.64 1.02 -0.23 0.92 3.86 -0.68 -1.75 115.15 118.93 3kbw h HIS 71 Ca 0.04 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3kbw h HIS 71 Cb 1.00 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3kbw h HIS 71 CO 0.06 0.68 -0.19 0.28 0.86 0.00 0.00 177.93 179.62 3kbw h VAL 72 N 1.07 1.32 -0.39 2.45 2.07 -1.24 -2.43 116.25 119.09 3kbw h VAL 72 Ca 0.28 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kbw h VAL 72 Cb -0.04 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3kbw h VAL 72 CO -0.05 0.41 0.24 0.50 0.02 0.00 0.00 177.57 178.69 3kbw h LYS 73 N 0.24 0.53 -0.97 1.57 3.64 -0.84 0.61 116.57 121.36 3kbw h LYS 73 Ca 0.04 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3kbw h LYS 73 Cb 0.73 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 3kbw h LYS 73 CO 0.05 0.39 0.63 0.00 -2.27 0.00 0.00 179.45 178.25 3kbw h ARG 74 N 0.52 1.19 -0.27 1.90 3.08 -1.32 -1.53 114.38 117.95 3kbw h ARG 74 Ca 0.14 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3kbw h ARG 74 Cb -0.01 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 3kbw h ARG 74 CO -0.03 0.79 0.09 0.35 -1.07 0.00 0.00 179.97 180.11 3kbw h PHE 75 N 1.23 0.43 -0.87 3.04 3.57 -0.90 -2.13 116.94 121.30 3kbw h PHE 75 Ca 0.38 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.87 3kbw h PHE 75 Cb -0.00 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3kbw h PHE 75 CO -0.01 0.46 0.58 -0.09 -2.23 0.00 0.00 178.31 177.02 3kbw h ARG 76 N 0.29 1.09 -0.59 1.11 9.65 -0.64 -0.59 114.38 124.70 3kbw h ARG 76 Ca 0.09 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 3kbw h ARG 76 Cb 0.22 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3kbw h ARG 76 CO -0.00 0.72 0.02 0.37 2.80 0.00 0.00 179.97 183.88 3kbw h GLN 77 N 1.13 1.01 -1.00 0.20 5.75 -0.93 -0.24 115.11 121.02 3kbw h GLN 77 Ca 0.34 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3kbw h GLN 77 Cb -0.04 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 3kbw h GLN 77 CO -0.09 0.98 0.66 0.00 -2.65 0.00 0.00 178.83 177.73 3kbw h ALA 78 N 1.08 1.29 -0.52 3.38 0.00 -0.60 0.60 119.26 124.49 3kbw h ALA 78 Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3kbw h ALA 78 Cb 0.51 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kbw h ALA 78 CO 0.02 0.65 -0.16 -0.07 0.00 0.00 0.00 179.25 179.70 3kbw h LEU 79 N 1.35 1.04 -0.92 0.00 3.38 -0.69 -2.31 115.31 117.15 3kbw h LEU 79 Ca 0.37 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3kbw h LEU 79 Cb -0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.31 3kbw h LEU 79 CO -0.08 1.17 -0.08 0.44 0.09 0.00 0.00 178.44 179.98 3kbw h ASP 80 N 0.89 0.68 1.24 -0.43 3.32 -0.42 0.11 116.42 121.82 3kbw h ASP 80 Ca 0.13 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3kbw h ASP 80 Cb 0.74 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3kbw h ASP 80 CO 0.06 0.81 -0.16 0.44 -1.72 0.00 0.00 179.24 178.67 3kbw h ASP 81 N 0.65 0.00 0.00 6.45 3.32 -0.73 -3.33 116.42 122.78 3kbw h ASP 81 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kbw h ASP 81 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3kbw h ASP 81 CO 0.03 0.16 -0.70 0.35 -1.72 0.00 0.00 179.24 177.36 3kbw n THR 82 N -3.23 0.00 -0.96 0.35 -2.24 -0.89 -5.00 114.28 102.32 3kbw n THR 82 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3kbw n THR 82 Cb 0.46 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3kbw n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbw n GLY 83 N 1.54 0.80 3.78 3.38 0.00 0.37 -5.02 105.19 110.04 3kbw n GLY 83 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kbw n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbw s MET 84 N -0.04 3.96 0.33 1.61 -1.94 -1.16 -4.97 119.30 117.08 3kbw s MET 84 Ca 0.00 1.57 0.08 0.00 -1.71 0.00 0.00 55.69 55.63 3kbw s MET 84 Cb 0.00 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 3kbw s MET 84 CO 0.00 -0.34 0.26 0.15 -0.01 0.00 0.00 175.02 175.08 3kbw s LYS 85 N -2.70 2.70 -0.57 2.03 -0.14 -0.93 -4.78 119.74 115.35 3kbw s LYS 85 Ca 0.62 -1.30 0.04 0.00 -1.36 0.00 0.00 55.97 53.96 3kbw s LYS 85 Cb -0.23 -2.44 0.15 0.00 -1.68 0.00 0.00 37.83 33.62 3kbw s LYS 85 CO 0.28 0.14 0.35 0.08 -0.76 0.00 0.00 175.35 175.44 3kbw s VAL 86 N -2.30 2.29 -0.41 3.17 1.01 -1.26 -1.27 120.40 121.63 3kbw s VAL 86 Ca 0.39 -3.48 0.25 0.00 0.00 0.00 0.00 61.98 59.15 3kbw s VAL 86 Cb -0.06 -2.55 0.33 0.00 0.00 0.00 0.00 36.38 34.11 3kbw s VAL 86 CO 0.26 -0.93 1.71 -0.65 0.00 0.00 0.00 175.10 175.48 3kbw h PRO 87 N 6.05 0.00 -3.37 2.72 0.11 -1.84 -2.87 132.00 132.80 3kbw h PRO 87 Ca 0.05 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 3kbw h PRO 87 Cb 0.85 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.77 3kbw h PRO 87 CO 0.63 0.00 -0.38 1.41 -0.21 0.00 0.00 178.00 179.45 3kbw s MET 88 N -3.27 0.62 0.17 1.05 -2.45 -1.26 -1.41 119.30 112.75 3kbw s MET 88 Ca 0.07 -0.42 -0.08 0.00 -1.25 0.00 0.00 55.69 54.01 3kbw s MET 88 Cb 0.07 0.26 -0.01 0.00 1.25 0.00 0.00 34.83 36.40 3kbw s MET 88 CO 0.62 -0.17 0.25 0.00 1.05 0.00 0.00 175.02 176.78 3kbw s ALA 89 N -1.80 0.18 0.32 4.11 0.00 -0.97 -3.82 121.76 119.78 3kbw s ALA 89 Ca -0.11 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 3kbw s ALA 89 Cb -0.04 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.99 3kbw s ALA 89 CO 0.00 -0.63 0.56 -0.08 0.00 0.00 0.00 175.76 175.62 3kbw s THR 90 N -3.99 0.00 -0.06 0.00 -1.32 -0.59 -0.82 115.64 108.86 3kbw s THR 90 Ca 0.20 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 59.33 3kbw s THR 90 Cb 0.04 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 3kbw s THR 90 CO 0.01 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.42 3kbw s THR 91 N -3.20 3.31 -0.59 5.08 2.01 -1.26 -2.08 115.64 118.92 3kbw s THR 91 Ca 0.23 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 3kbw s THR 91 Cb -0.02 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.21 3kbw s THR 91 CO 0.14 0.59 1.01 0.21 -0.69 0.00 0.00 174.62 175.89 3kbw s ASN 92 N -0.74 6.31 -0.38 3.53 3.84 -1.26 -4.84 114.94 121.41 3kbw s ASN 92 Ca 0.11 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 52.84 3kbw s ASN 92 Cb -0.11 -2.46 0.46 0.00 -0.55 0.00 0.00 41.25 38.59 3kbw s ASN 92 CO 0.01 -1.35 1.40 0.18 -2.79 0.00 0.00 177.10 174.55 3kbw n LEU 93 N 7.81 5.58 0.00 3.21 4.77 -1.26 -4.71 117.00 132.41 3kbw n LEU 93 Ca 0.02 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 3kbw n LEU 93 Cb 0.47 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3kbw n LEU 93 CO 0.66 1.94 0.00 2.22 -1.33 0.00 0.00 177.39 180.88 3kbw n PHE 94 N -0.77 0.00 -0.01 -1.77 1.16 -1.26 -4.49 117.46 110.32 3kbw n PHE 94 Ca 0.48 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.88 3kbw n PHE 94 Cb 0.89 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 3kbw n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 3kbw h THR 95 N 0.00 1.47 -3.89 1.97 2.02 -1.94 -3.46 112.91 109.07 3kbw h THR 95 Ca 0.00 -2.41 -0.53 0.00 0.77 0.00 0.00 66.41 64.23 3kbw h THR 95 Cb 0.00 3.09 0.09 0.00 -1.74 0.00 0.00 68.15 69.59 3kbw h THR 95 CO 0.00 0.64 0.74 -2.28 0.37 0.00 0.00 175.52 174.99 3kbw s HIS 96 N -2.36 2.74 0.57 3.16 2.46 -1.26 -4.87 115.29 115.74 3kbw s HIS 96 Ca -0.18 1.23 0.29 0.00 0.47 0.00 0.00 55.06 56.86 3kbw s HIS 96 Cb 0.01 -3.92 1.48 0.00 -0.13 0.00 0.00 32.58 30.02 3kbw s HIS 96 CO 0.75 -2.66 1.92 -1.35 -2.47 0.00 0.00 174.74 170.92 3kbw h PRO 97 N 3.21 0.00 0.00 2.88 0.11 -2.02 -0.85 132.00 135.33 3kbw h PRO 97 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kbw h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kbw h PRO 97 CO 0.65 0.00 -0.04 -0.24 -0.21 0.00 0.00 178.00 178.17 3kbw h VAL 98 N 0.00 0.49 -0.30 3.15 3.04 -1.97 -1.62 116.25 119.04 3kbw h VAL 98 Ca 0.24 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 3kbw h VAL 98 Cb 1.21 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3kbw h VAL 98 CO -0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 3kbw n PHE 99 N -3.72 0.91 0.30 3.17 3.72 -0.32 -4.53 117.46 116.99 3kbw n PHE 99 Ca -0.03 -0.33 0.17 0.00 -0.05 0.00 0.00 57.45 57.21 3kbw n PHE 99 Cb 0.13 -0.24 0.95 0.00 -0.94 0.00 0.00 39.48 39.38 3kbw n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kbw h LYS 100 N 2.02 0.00 -0.28 -1.08 2.10 -1.44 -0.13 116.57 117.75 3kbw h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kbw h LYS 100 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3kbw h LYS 100 CO 0.19 0.03 0.00 -3.47 -2.00 0.00 0.00 179.45 174.20 3kbw n ASP 101 N -3.58 3.78 0.00 7.07 2.03 -1.26 -5.04 116.55 119.55 3kbw n ASP 101 Ca -0.03 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.42 3kbw n ASP 101 Cb 0.12 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 3kbw n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kbw n GLY 102 N -0.34 1.98 0.11 0.27 0.00 -0.06 -3.62 105.19 103.54 3kbw n GLY 102 Ca 0.20 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3kbw n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbw n GLY 103 N -0.55 -0.09 0.27 -0.02 0.00 -1.26 -4.28 105.19 99.26 3kbw n GLY 103 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3kbw n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kbw h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.11 116.94 113.58 3kbw h PHE 104 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kbw h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kbw h PHE 104 CO 0.00 0.08 -0.07 0.25 -0.60 0.00 0.00 178.31 177.96 3kbw n THR 105 N -3.31 1.78 -1.66 -1.55 -2.24 -1.26 -4.47 114.28 101.57 3kbw n THR 105 Ca -0.01 -2.18 -0.41 0.00 -2.27 0.00 0.00 64.05 59.18 3kbw n THR 105 Cb 0.27 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.32 3kbw n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbw n ALA 106 N -1.31 0.78 -0.06 6.98 0.00 -1.17 -4.85 120.51 120.87 3kbw n ALA 106 Ca 0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3kbw n ALA 106 Cb 0.65 -2.18 0.29 0.00 0.00 0.00 0.00 19.45 18.21 3kbw n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kbw h ASN 107 N 1.83 0.60 -2.86 0.00 2.35 -1.93 -3.42 115.58 112.15 3kbw h ASN 107 Ca -0.46 -0.08 -0.56 0.00 -0.55 0.00 0.00 56.30 54.65 3kbw h ASN 107 Cb 1.31 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 3kbw h ASN 107 CO 0.58 0.57 0.92 -1.81 -1.65 0.00 0.00 177.43 176.04 3kbw s ASP 108 N -6.64 6.88 0.30 5.81 1.01 -1.26 -4.92 116.67 117.85 3kbw s ASP 108 Ca -0.09 1.86 0.01 0.00 0.71 0.00 0.00 52.55 55.04 3kbw s ASP 108 Cb 0.16 -2.54 0.46 0.00 1.01 0.00 0.00 42.92 42.01 3kbw s ASP 108 CO 0.77 -0.78 1.82 -0.09 0.21 0.00 0.00 175.17 177.10 3kbw h ARG 109 N 8.39 0.69 -0.18 8.23 2.43 -2.00 -2.66 114.38 129.28 3kbw h ARG 109 Ca -0.31 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3kbw h ARG 109 Cb 1.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3kbw h ARG 109 CO 0.95 0.68 -0.30 0.38 -1.51 0.00 0.00 179.97 180.17 3kbw h ASP 110 N 0.66 0.36 -0.59 -3.80 3.04 -1.95 -2.03 116.42 112.11 3kbw h ASP 110 Ca 0.14 -0.13 -0.05 0.00 -3.24 0.00 0.00 57.03 53.75 3kbw h ASP 110 Cb 0.36 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 38.53 3kbw h ASP 110 CO 0.01 0.65 0.17 0.58 -2.04 0.00 0.00 179.24 178.61 3kbw h VAL 111 N 0.31 1.25 -0.57 4.15 2.07 -1.85 -1.97 116.25 119.63 3kbw h VAL 111 Ca 0.04 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3kbw h VAL 111 Cb 0.70 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3kbw h VAL 111 CO 0.05 0.32 0.36 0.03 0.02 0.00 0.00 177.57 178.35 3kbw h ARG 112 N 0.84 0.69 -0.70 1.57 3.08 -1.19 0.13 114.38 118.80 3kbw h ARG 112 Ca 0.19 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3kbw h ARG 112 Cb 0.31 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3kbw h ARG 112 CO -0.00 0.45 0.20 0.00 -1.07 0.00 0.00 179.97 179.55 3kbw h ARG 113 N 0.71 1.10 -0.55 0.04 3.08 -1.25 -2.22 114.38 115.29 3kbw h ARG 113 Ca 0.23 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kbw h ARG 113 Cb -0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3kbw h ARG 113 CO -0.09 0.96 0.36 -0.92 -1.07 0.00 0.00 179.97 179.21 3kbw h TYR 114 N 1.03 0.68 -0.99 3.04 3.20 -0.93 -1.52 116.97 121.50 3kbw h TYR 114 Ca 0.22 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3kbw h TYR 114 Cb 0.33 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3kbw h TYR 114 CO 0.03 0.43 0.65 0.00 -1.64 0.00 0.00 178.16 177.62 3kbw h ALA 115 N 1.20 1.31 -0.47 1.82 0.00 -0.47 0.64 119.26 123.28 3kbw h ALA 115 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kbw h ALA 115 Cb -0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3kbw h ALA 115 CO -0.05 0.55 0.10 -0.07 0.00 0.00 0.00 179.25 179.78 3kbw h LEU 116 N 1.26 0.73 -0.61 0.00 3.38 -1.00 -1.74 115.31 117.33 3kbw h LEU 116 Ca 0.39 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3kbw h LEU 116 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kbw h LEU 116 CO -0.12 0.79 0.09 0.03 0.09 0.00 0.00 178.44 179.32 3kbw h ARG 117 N 0.65 1.02 -0.63 1.13 2.47 -0.57 -0.71 114.38 117.74 3kbw h ARG 117 Ca 0.15 -0.28 -0.05 0.00 -1.26 0.00 0.00 59.98 58.54 3kbw h ARG 117 Cb 0.35 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 3kbw h ARG 117 CO 0.00 0.96 0.20 -0.22 0.56 0.00 0.00 179.97 181.47 3kbw h LYS 118 N 0.92 0.95 -0.04 0.04 3.64 -0.78 -2.50 116.57 118.81 3kbw h LYS 118 Ca 0.18 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kbw h LYS 118 Cb 0.44 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3kbw h LYS 118 CO 0.01 0.82 0.00 1.15 -2.27 0.00 0.00 179.45 179.16 3kbw h THR 119 N 0.92 1.22 -0.72 1.00 2.02 -0.85 -2.93 112.91 113.58 3kbw h THR 119 Ca 0.21 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.76 3kbw h THR 119 Cb 0.26 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3kbw h THR 119 CO -0.01 0.18 0.43 0.40 0.37 0.00 0.00 175.52 176.90 3kbw h ILE 120 N -0.20 1.05 -0.84 3.11 2.04 -0.99 -0.05 117.51 121.61 3kbw h ILE 120 Ca 0.01 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3kbw h ILE 120 Cb 0.29 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3kbw h ILE 120 CO 0.00 0.15 0.55 -0.09 0.00 0.00 0.00 178.15 178.76 3kbw h ARG 121 N 0.82 0.91 0.00 2.37 2.43 -1.47 -1.57 114.38 117.88 3kbw h ARG 121 Ca 0.30 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3kbw h ARG 121 Cb 0.10 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3kbw h ARG 121 CO -0.14 0.60 -0.60 -0.97 -1.51 0.00 0.00 179.97 177.35 3kbw h ASN 122 N 0.94 0.00 -0.62 -3.80 -1.24 -1.04 -3.01 115.58 106.81 3kbw h ASN 122 Ca 0.36 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.37 3kbw h ASN 122 Cb 0.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 3kbw h ASN 122 CO -0.13 0.54 0.37 0.40 -1.29 0.00 0.00 177.43 177.32 3kbw h ILE 123 N 0.00 1.18 -0.82 2.57 2.04 -0.09 0.15 117.51 122.55 3kbw h ILE 123 Ca -0.02 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3kbw h ILE 123 Cb 1.43 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3kbw h ILE 123 CO 0.07 0.19 0.52 0.44 0.00 0.00 0.00 178.15 179.37 3kbw h ASP 124 N 0.84 0.86 -0.49 1.72 3.32 -1.38 -0.28 116.42 121.00 3kbw h ASP 124 Ca 0.22 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3kbw h ASP 124 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3kbw h ASP 124 CO -0.04 0.58 0.01 0.25 -1.72 0.00 0.00 179.24 178.32 3kbw h LEU 125 N 1.00 0.84 -0.54 1.55 5.85 -1.29 -2.10 115.31 120.63 3kbw h LEU 125 Ca 0.33 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kbw h LEU 125 Cb 0.03 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3kbw h LEU 125 CO -0.12 0.94 0.29 0.00 -0.34 0.00 0.00 178.44 179.20 3kbw h ALA 126 N 0.93 0.69 -0.73 1.25 0.00 0.07 -1.44 119.26 120.03 3kbw h ALA 126 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kbw h ALA 126 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kbw h ALA 126 CO 0.02 -0.05 0.48 0.28 0.00 0.00 0.00 179.25 179.99 3kbw h VAL 127 N 0.55 1.18 -0.96 0.00 2.07 -0.93 -0.62 116.25 117.53 3kbw h VAL 127 Ca 0.23 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3kbw h VAL 127 Cb 0.12 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 3kbw h VAL 127 CO -0.15 0.18 0.63 -0.08 0.02 0.00 0.00 177.57 178.17 3kbw h GLU 128 N 0.98 1.10 -0.00 1.57 4.81 -0.59 -2.00 114.58 120.46 3kbw h GLU 128 Ca 0.27 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3kbw h GLU 128 Cb -0.10 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.03 3kbw h GLU 128 CO -0.06 0.73 -0.09 1.28 -0.73 0.00 0.00 179.01 180.14 3kbw n LEU 129 N -4.48 0.41 0.00 1.64 4.77 -0.73 -4.93 117.00 113.67 3kbw n LEU 129 Ca 0.14 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kbw n LEU 129 Cb 0.17 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kbw n LEU 129 CO 0.33 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3kbw n GLY 130 N 1.27 0.91 3.77 -0.72 0.00 -0.75 -4.46 105.19 105.20 3kbw n GLY 130 Ca 0.15 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3kbw n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw s ALA 131 N -2.00 3.36 -0.06 4.61 0.00 -0.29 -4.70 121.76 122.68 3kbw s ALA 131 Ca 0.00 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.21 3kbw s ALA 131 Cb 0.00 -3.39 -0.30 0.00 0.00 0.00 0.00 23.12 19.43 3kbw s ALA 131 CO 0.00 -0.41 0.53 0.39 0.00 0.00 0.00 175.76 176.26 3kbw n GLU 132 N 0.74 0.65 -4.35 0.00 1.02 -0.50 -4.63 120.64 113.57 3kbw n GLU 132 Ca 0.01 -0.15 -0.19 0.00 -0.02 0.00 0.00 57.16 56.80 3kbw n GLU 132 Cb 0.44 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.15 3kbw n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kbw s THR 133 N -3.46 0.72 -0.22 2.62 2.01 -1.04 -2.14 115.64 114.13 3kbw s THR 133 Ca -0.07 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3kbw s THR 133 Cb 0.13 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 72.03 3kbw s THR 133 CO 0.89 0.22 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.45 3kbw s TYR 134 N 0.11 2.96 0.17 4.92 5.04 0.47 -2.30 117.35 128.72 3kbw s TYR 134 Ca -0.01 -1.62 -0.10 0.00 -2.44 0.00 0.00 57.07 52.90 3kbw s TYR 134 Cb -0.07 -1.99 -0.07 0.00 0.35 0.00 0.00 41.96 40.19 3kbw s TYR 134 CO 0.00 -0.76 0.49 0.08 -1.34 0.00 0.00 175.55 174.02 3kbw s VAL 135 N 1.30 4.99 -0.17 3.14 1.01 -0.00 -0.98 120.40 129.68 3kbw s VAL 135 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3kbw s VAL 135 Cb -0.15 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3kbw s VAL 135 CO -0.08 0.08 -0.10 0.00 0.00 0.00 0.00 175.10 175.00 3kbw s ALA 136 N -1.64 1.79 -0.34 5.51 0.00 -0.33 -4.20 121.76 122.56 3kbw s ALA 136 Ca 0.42 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3kbw s ALA 136 Cb -0.13 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.90 3kbw s ALA 136 CO 0.21 -0.67 0.07 -0.46 0.00 0.00 0.00 175.76 174.91 3kbw s TRP 137 N 1.50 3.37 -1.37 0.00 -0.00 -1.26 -0.89 118.94 120.29 3kbw s TRP 137 Ca 0.01 -2.02 -0.09 0.00 -0.00 0.00 0.00 56.10 54.00 3kbw s TRP 137 Cb -0.15 -2.48 0.09 0.00 -0.00 0.00 0.00 33.47 30.94 3kbw s TRP 137 CO -0.09 -0.85 2.27 0.41 -0.00 0.00 0.00 176.95 178.70 3kbw n GLY 138 N 4.62 4.80 0.27 5.86 0.00 -1.26 -4.76 105.19 114.73 3kbw n GLY 138 Ca -0.09 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.14 3kbw n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kbw h GLY 139 N 7.21 0.00 -1.86 -0.02 0.00 -1.93 -1.97 103.07 104.50 3kbw h GLY 139 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3kbw h GLY 139 CO 1.64 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.72 3kbw n ARG 140 N -3.63 2.21 -2.78 4.80 5.12 -1.26 -4.01 116.66 117.10 3kbw n ARG 140 Ca -0.02 -2.04 -0.43 0.00 -1.93 0.00 0.00 57.85 53.44 3kbw n ARG 140 Cb 0.20 -1.41 -0.04 0.00 -1.16 0.00 0.00 32.46 30.05 3kbw n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kbw s GLU 141 N -1.31 3.42 0.00 5.56 0.41 -0.74 -2.81 118.70 123.22 3kbw s GLU 141 Ca 0.31 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 3kbw s GLU 141 Cb 0.18 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 3kbw s GLU 141 CO 0.26 -1.46 0.00 0.41 -0.49 0.00 0.00 175.26 173.97 3kbw n GLY 142 N 5.06 -0.50 3.50 -1.39 0.00 -1.26 -1.24 105.19 109.36 3kbw n GLY 142 Ca 0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 3kbw n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw s ALA 143 N -1.00 -1.81 -0.28 4.61 0.00 -0.82 -4.91 121.76 117.55 3kbw s ALA 143 Ca 0.00 1.04 0.18 0.00 0.00 0.00 0.00 51.96 53.18 3kbw s ALA 143 Cb 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 23.12 23.20 3kbw s ALA 143 CO 0.00 -0.64 0.51 0.39 0.00 0.00 0.00 175.76 176.02 3kbw n GLU 144 N -0.11 0.74 -3.98 0.00 4.71 -1.26 -1.64 120.64 119.10 3kbw n GLU 144 Ca -0.10 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.16 56.85 3kbw n GLU 144 Cb 0.61 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.54 3kbw n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kbw s SER 145 N -3.65 0.26 0.25 1.62 1.04 -1.26 -4.93 113.70 107.03 3kbw s SER 145 Ca -0.02 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 55.83 3kbw s SER 145 Cb 0.12 0.19 0.28 0.00 0.10 0.00 0.00 66.02 66.71 3kbw s SER 145 CO 0.75 -0.47 1.58 1.23 0.98 0.00 0.00 173.24 177.31 3kbw h GLY 146 N 3.82 0.24 1.05 7.32 0.00 -1.95 -3.16 103.07 110.39 3kbw h GLY 146 Ca -0.33 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3kbw h GLY 146 CO 0.51 0.26 -0.27 0.61 0.00 0.00 0.00 176.54 177.65 3kbw n GLY 147 N 0.22 -1.12 0.24 4.60 0.00 -1.26 -4.00 105.19 103.86 3kbw n GLY 147 Ca -0.02 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3kbw n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw h ALA 148 N 3.25 1.03 -2.96 4.61 0.00 -1.98 -3.42 119.26 119.79 3kbw h ALA 148 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 3kbw h ALA 148 Cb 0.47 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.89 3kbw h ALA 148 CO 0.00 0.18 -0.60 0.21 0.00 0.00 0.00 179.25 179.04 3kbw s LYS 149 N -3.69 0.09 -0.43 0.00 2.47 -1.26 -4.99 119.74 111.93 3kbw s LYS 149 Ca 0.01 0.58 -0.25 0.00 -1.56 0.00 0.00 55.97 54.75 3kbw s LYS 149 Cb 0.10 -0.30 0.02 0.00 -1.46 0.00 0.00 37.83 36.19 3kbw s LYS 149 CO 0.60 -0.34 0.91 0.34 0.16 0.00 0.00 175.35 177.02 3kbw s ASP 150 N 2.34 6.54 0.35 1.43 -1.08 -1.26 -4.94 116.67 120.04 3kbw s ASP 150 Ca 0.03 0.23 0.13 0.00 -0.52 0.00 0.00 52.55 52.42 3kbw s ASP 150 Cb -0.12 -2.45 0.63 0.00 -1.46 0.00 0.00 42.92 39.52 3kbw s ASP 150 CO -0.07 -0.97 1.76 0.58 0.52 0.00 0.00 175.17 176.99 3kbw h VAL 151 N 5.99 1.27 -0.44 1.11 2.07 -1.98 0.66 116.25 124.93 3kbw h VAL 151 Ca -0.24 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 3kbw h VAL 151 Cb 1.08 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3kbw h VAL 151 CO 1.00 0.43 0.06 0.03 0.02 0.00 0.00 177.57 179.11 3kbw h ARG 152 N 0.00 0.75 -0.73 1.57 3.08 -1.99 0.11 114.38 117.16 3kbw h ARG 152 Ca -0.00 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3kbw h ARG 152 Cb 0.80 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3kbw h ARG 152 CO 0.06 0.78 0.22 -0.44 -1.07 0.00 0.00 179.97 179.52 3kbw h ASP 153 N 0.60 1.07 -0.64 7.04 3.32 -1.87 -1.32 116.42 124.61 3kbw h ASP 153 Ca 0.13 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3kbw h ASP 153 Cb 0.41 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3kbw h ASP 153 CO 0.01 0.99 0.12 0.00 -1.72 0.00 0.00 179.24 178.64 3kbw h ALA 154 N 1.15 0.85 -0.24 3.45 0.00 -0.60 -0.49 119.26 123.37 3kbw h ALA 154 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3kbw h ALA 154 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kbw h ALA 154 CO -0.01 0.60 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 3kbw h LEU 155 N 0.97 0.39 -0.58 0.00 3.38 -0.43 -0.11 115.31 118.93 3kbw h LEU 155 Ca 0.20 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kbw h LEU 155 Cb 0.42 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3kbw h LEU 155 CO 0.01 0.58 0.37 0.44 0.09 0.00 0.00 178.44 179.93 3kbw h ASP 156 N 0.38 0.63 -0.06 -0.43 3.32 -0.51 0.46 116.42 120.21 3kbw h ASP 156 Ca 0.07 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3kbw h ASP 156 Cb 0.50 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3kbw h ASP 156 CO 0.03 0.45 -0.24 0.03 -1.72 0.00 0.00 179.24 177.79 3kbw h ARG 157 N 0.75 0.47 -0.29 3.56 2.47 -0.49 -0.23 114.38 120.63 3kbw h ARG 157 Ca 0.22 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 3kbw h ARG 157 Cb -0.05 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3kbw h ARG 157 CO -0.07 0.68 -0.22 1.98 0.56 0.00 0.00 179.97 182.91 3kbw h MET 158 N 0.42 0.66 -0.60 0.04 4.05 -0.70 -1.22 114.93 117.58 3kbw h MET 158 Ca 0.06 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 3kbw h MET 158 Cb 0.65 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 3kbw h MET 158 CO 0.05 0.92 0.26 -0.22 0.23 0.00 0.00 176.91 178.15 3kbw h LYS 159 N 0.40 0.88 -0.53 0.39 3.64 -0.76 -1.65 116.57 118.94 3kbw h LYS 159 Ca 0.05 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3kbw h LYS 159 Cb 0.77 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3kbw h LYS 159 CO 0.06 0.74 0.32 1.49 -2.27 0.00 0.00 179.45 179.78 3kbw h GLU 160 N 0.83 0.61 0.36 1.90 4.81 -0.84 0.27 114.58 122.51 3kbw h GLU 160 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3kbw h GLU 160 Cb 0.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kbw h GLU 160 CO -0.02 0.40 -0.17 0.00 -0.73 0.00 0.00 179.01 178.49 3kbw h ALA 161 N 1.24 -0.48 -0.34 2.92 0.00 -0.95 -0.53 119.26 121.12 3kbw h ALA 161 Ca 0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3kbw h ALA 161 Cb 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kbw h ALA 161 CO -0.10 -0.77 -0.09 0.74 0.00 0.00 0.00 179.25 179.03 3kbw h PHE 162 N -0.48 0.60 -0.44 0.00 0.04 -1.07 -1.52 116.94 114.07 3kbw h PHE 162 Ca -0.05 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 3kbw h PHE 162 Cb 0.37 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3kbw h PHE 162 CO -0.05 0.64 0.15 -0.44 -0.60 0.00 0.00 178.31 178.01 3kbw h ASP 163 N 0.52 0.63 -0.79 2.17 3.32 -0.24 -1.13 116.42 120.91 3kbw h ASP 163 Ca 0.10 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3kbw h ASP 163 Cb 0.48 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3kbw h ASP 163 CO 0.03 0.66 0.36 -0.07 -1.72 0.00 0.00 179.24 178.49 3kbw h LEU 164 N 0.57 1.05 -1.18 1.55 3.38 -0.68 -0.39 115.31 119.61 3kbw h LEU 164 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kbw h LEU 164 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kbw h LEU 164 CO -0.01 0.90 0.18 -0.07 0.09 0.00 0.00 178.44 179.53 3kbw h LEU 165 N 1.14 0.69 -0.51 1.67 3.38 -0.97 -1.22 115.31 119.50 3kbw h LEU 165 Ca 0.27 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3kbw h LEU 165 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kbw h LEU 165 CO -0.03 0.65 -0.64 1.23 0.09 0.00 0.00 178.44 179.73 3kbw h GLY 166 N 0.90 0.44 1.01 0.83 0.00 -0.51 -1.99 103.07 103.76 3kbw h GLY 166 Ca 0.17 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kbw h GLY 166 CO -0.01 0.51 0.47 -2.09 0.00 0.00 0.00 176.54 175.42 3kbw h GLU 167 N 0.29 1.03 0.38 4.80 4.81 -0.56 -1.91 114.58 123.43 3kbw h GLU 167 Ca -0.01 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3kbw h GLU 167 Cb 1.19 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3kbw h GLU 167 CO 0.11 0.72 -0.18 -0.92 -0.73 0.00 0.00 179.01 178.01 3kbw h TYR 168 N 1.04 -0.48 -0.81 0.92 3.20 -0.99 0.98 116.97 120.83 3kbw h TYR 168 Ca 0.27 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.21 3kbw h TYR 168 Cb -0.05 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3kbw h TYR 168 CO -0.01 -0.26 0.47 0.28 -1.64 0.00 0.00 178.16 177.00 3kbw h VAL 169 N -0.58 0.96 -0.05 1.81 2.07 -1.33 -0.85 116.25 118.28 3kbw h VAL 169 Ca -0.05 -0.28 -0.23 0.00 0.82 0.00 0.00 66.70 66.95 3kbw h VAL 169 Cb 0.43 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3kbw h VAL 169 CO 0.09 0.15 -0.90 0.71 0.02 0.00 0.00 177.57 177.64 3kbw h THR 170 N 0.83 1.33 -0.15 2.57 1.35 -1.18 -1.48 112.91 116.17 3kbw h THR 170 Ca 0.37 -2.22 -0.10 0.00 -0.55 0.00 0.00 66.41 63.92 3kbw h THR 170 Cb 0.28 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3kbw h THR 170 CO -0.21 0.68 -0.34 0.77 -0.25 0.00 0.00 175.52 176.17 3kbw h SER 171 N 0.37 0.32 1.21 5.36 4.64 -0.21 -2.01 113.55 123.23 3kbw h SER 171 Ca -0.08 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3kbw h SER 171 Cb 1.53 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3kbw h SER 171 CO 0.17 0.64 -0.02 0.00 -0.87 0.00 0.00 176.83 176.75 3kbw n GLN 172 N -4.08 0.13 -1.63 4.77 1.13 -0.38 -4.93 117.38 112.38 3kbw n GLN 172 Ca -0.01 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.07 3kbw n GLN 172 Cb 0.44 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 3kbw n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbw n GLY 173 N 1.41 0.58 3.75 1.08 0.00 -0.75 -5.02 105.19 106.24 3kbw n GLY 173 Ca 0.06 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3kbw n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbw s TYR 174 N -2.34 3.90 -1.20 1.61 2.02 -0.63 -4.98 117.35 115.72 3kbw s TYR 174 Ca 0.00 1.87 -0.10 0.00 -0.37 0.00 0.00 57.07 58.47 3kbw s TYR 174 Cb 0.00 -3.02 0.21 0.00 -0.40 0.00 0.00 41.96 38.75 3kbw s TYR 174 CO 0.00 0.28 1.51 -0.25 -1.57 0.00 0.00 175.55 175.52 3kbw n ASP 175 N 1.34 5.39 -3.78 2.29 8.00 -1.26 -4.78 116.55 123.75 3kbw n ASP 175 Ca -0.01 -3.08 -0.13 0.00 0.71 0.00 0.00 54.79 52.28 3kbw n ASP 175 Cb 0.47 -1.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.00 3kbw n ASP 175 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kbw s ILE 176 N 0.20 0.04 0.26 0.53 2.07 -1.26 -4.72 121.20 118.31 3kbw s ILE 176 Ca 0.38 -0.30 0.11 0.00 -1.41 0.00 0.00 60.65 59.44 3kbw s ILE 176 Cb 0.00 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 3kbw s ILE 176 CO 0.00 -0.16 -0.17 -0.13 -1.91 0.00 0.00 174.94 172.57 3kbw s ARG 177 N -0.69 1.77 0.04 3.50 0.52 -0.91 -5.00 118.95 118.17 3kbw s ARG 177 Ca -0.08 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 3kbw s ARG 177 Cb -0.04 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3kbw s ARG 177 CO 0.02 0.35 0.14 -0.06 0.02 0.00 0.00 175.30 175.77 3kbw s PHE 178 N -2.30 3.37 -0.06 -0.53 0.08 -0.05 -0.39 117.98 118.09 3kbw s PHE 178 Ca 0.28 0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.53 3kbw s PHE 178 Cb -0.06 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3kbw s PHE 178 CO 0.15 0.57 -0.02 0.00 -0.10 0.00 0.00 175.22 175.82 3kbw s ALA 179 N -1.38 0.71 -0.07 5.36 0.00 -0.16 -0.66 121.76 125.57 3kbw s ALA 179 Ca 0.30 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3kbw s ALA 179 Cb -0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3kbw s ALA 179 CO 0.22 -0.30 0.46 0.42 0.00 0.00 0.00 175.76 176.56 3kbw s ILE 180 N 1.59 5.11 -0.34 0.00 1.01 0.01 -1.18 121.20 127.39 3kbw s ILE 180 Ca -0.01 0.94 -0.10 0.00 0.00 0.00 0.00 60.65 61.48 3kbw s ILE 180 Cb -0.13 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3kbw s ILE 180 CO -0.04 0.41 0.17 -0.70 0.00 0.00 0.00 174.94 174.79 3kbw s GLU 181 N 0.04 3.08 0.52 2.79 2.12 -0.07 -0.73 118.70 126.46 3kbw s GLU 181 Ca 0.25 -0.90 -0.13 0.00 0.36 0.00 0.00 54.97 54.56 3kbw s GLU 181 Cb -0.16 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 3kbw s GLU 181 CO 0.12 -0.55 0.94 -2.14 -0.54 0.00 0.00 175.26 173.08 3kbw s PRO 182 N 1.58 3.78 -0.25 4.30 0.02 -1.26 -4.37 135.00 138.80 3kbw s PRO 182 Ca 0.03 0.73 -0.18 0.00 0.02 0.00 0.00 61.00 61.60 3kbw s PRO 182 Cb -0.18 -2.19 0.07 0.00 0.02 0.00 0.00 34.50 32.22 3kbw s PRO 182 CO 0.06 -0.31 0.63 0.21 -0.33 0.00 0.00 177.00 177.27 3kbw s LYS 183 N -4.41 0.69 0.18 5.54 2.20 -1.22 -4.71 119.74 118.01 3kbw s LYS 183 Ca 0.55 1.02 0.06 0.00 -0.36 0.00 0.00 55.97 57.24 3kbw s LYS 183 Cb -0.10 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3kbw s LYS 183 CO 0.39 -0.12 1.42 -1.00 -0.36 0.00 0.00 175.35 175.68 3kbw h PRO 184 N 6.14 0.10 -2.96 4.03 0.13 -1.64 -3.39 132.00 134.40 3kbw h PRO 184 Ca -0.30 -0.10 0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3kbw h PRO 184 Cb 1.19 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 3kbw h PRO 184 CO 0.15 0.87 0.24 0.54 -0.23 0.00 0.00 178.00 179.57 3kbw s ASN 185 N -6.85 -0.30 0.00 1.44 4.22 -1.26 -1.63 114.94 110.56 3kbw s ASN 185 Ca -0.02 -0.51 -0.00 0.00 -2.14 0.00 0.00 52.86 50.20 3kbw s ASN 185 Cb 0.11 0.70 0.00 0.00 1.28 0.00 0.00 41.25 43.33 3kbw s ASN 185 CO 0.81 -1.27 0.00 1.21 -2.04 0.00 0.00 177.10 175.81 3kbw n GLU 186 N -0.45 -0.18 0.01 3.55 2.13 -1.26 -4.84 120.64 119.60 3kbw n GLU 186 Ca -0.06 0.61 0.12 0.00 0.66 0.00 0.00 57.16 58.50 3kbw n GLU 186 Cb 0.60 -0.68 0.33 0.00 0.27 0.00 0.00 31.44 31.96 3kbw n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3kbw n PRO 187 N 0.06 0.03 -2.64 5.31 -0.04 -1.26 -5.02 135.00 131.44 3kbw n PRO 187 Ca -0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 3kbw n PRO 187 Cb 0.00 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 3kbw n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kbw s ARG 188 N -3.02 3.63 0.28 0.54 1.81 -1.26 -4.98 118.95 115.95 3kbw s ARG 188 Ca 0.11 0.34 -0.04 0.00 -1.72 0.00 0.00 55.73 54.43 3kbw s ARG 188 Cb 0.17 -2.35 0.37 0.00 -0.45 0.00 0.00 34.95 32.69 3kbw s ARG 188 CO 0.66 -0.18 1.95 0.78 -0.68 0.00 0.00 175.30 177.83 3kbw h GLY 189 N 0.53 1.26 -5.87 -3.53 0.00 -1.85 -3.41 103.07 90.20 3kbw h GLY 189 Ca -0.47 -0.48 -0.25 0.00 0.00 0.00 0.00 47.33 46.14 3kbw h GLY 189 CO 0.62 0.47 -0.70 0.99 0.00 0.00 0.00 176.54 177.92 3kbw s ASP 190 N -6.24 0.00 -0.07 0.19 1.01 -0.65 -4.69 116.67 106.22 3kbw s ASP 190 Ca -0.12 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.18 3kbw s ASP 190 Cb 0.18 0.01 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 3kbw s ASP 190 CO 0.80 -0.05 -0.00 -0.63 0.21 0.00 0.00 175.17 175.50 3kbw s ILE 191 N 0.39 4.24 0.50 0.77 1.01 -0.65 -1.94 121.20 125.53 3kbw s ILE 191 Ca -0.03 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 3kbw s ILE 191 Cb -0.05 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 3kbw s ILE 191 CO -0.01 0.57 1.20 -0.76 0.00 0.00 0.00 174.94 175.94 3kbw s LEU 192 N -0.97 3.92 -1.04 2.97 1.43 -0.37 -3.66 118.68 120.95 3kbw s LEU 192 Ca 0.14 2.39 -0.09 0.00 -1.03 0.00 0.00 54.13 55.54 3kbw s LEU 192 Cb -0.11 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 3kbw s LEU 192 CO 0.03 -1.14 0.86 0.18 0.23 0.00 0.00 176.35 176.51 3kbw n LEU 193 N -0.79 -5.02 0.22 1.79 4.77 -1.26 -4.80 117.00 111.91 3kbw n LEU 193 Ca 0.09 -0.73 0.15 0.00 -0.03 0.00 0.00 56.01 55.49 3kbw n LEU 193 Cb 0.48 -3.00 0.52 0.00 -2.33 0.00 0.00 43.42 39.09 3kbw n LEU 193 CO 0.48 0.08 0.92 1.55 -1.33 0.00 0.00 177.39 179.08 3kbw h PRO 194 N -1.12 0.00 -4.59 3.23 0.13 -1.75 -3.31 132.00 124.59 3kbw h PRO 194 Ca -0.57 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.33 3kbw h PRO 194 Cb 1.29 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 3kbw h PRO 194 CO 0.44 0.00 -0.63 0.95 -0.23 0.00 0.00 178.00 178.52 3kbw s THR 195 N -3.45 0.18 0.30 1.56 -4.23 -1.26 -2.05 115.64 106.69 3kbw s THR 195 Ca 0.04 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3kbw s THR 195 Cb 0.09 -2.31 0.29 0.00 1.34 0.00 0.00 72.50 71.91 3kbw s THR 195 CO 0.53 -0.22 1.76 0.58 -0.54 0.00 0.00 174.62 176.73 3kbw h VAL 196 N 2.69 0.68 -0.36 2.29 2.07 -1.92 -1.86 116.25 119.84 3kbw h VAL 196 Ca -0.36 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3kbw h VAL 196 Cb 1.23 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kbw h VAL 196 CO 0.57 0.13 0.11 1.23 0.02 0.00 0.00 177.57 179.63 3kbw h GLY 197 N 0.70 0.59 1.29 2.17 0.00 -1.96 0.20 103.07 106.07 3kbw h GLY 197 Ca 0.56 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 3kbw h GLY 197 CO -0.40 0.33 0.10 0.45 0.00 0.00 0.00 176.54 177.02 3kbw h HIS 198 N 0.42 0.92 -0.34 5.60 -0.00 -1.73 -0.79 115.15 119.24 3kbw h HIS 198 Ca 0.11 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 3kbw h HIS 198 Cb 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3kbw h HIS 198 CO 0.01 0.78 -0.11 0.00 -0.00 0.00 0.00 177.93 178.61 3kbw h ALA 199 N 1.27 0.46 -1.00 2.45 0.00 -1.15 -1.82 119.26 119.48 3kbw h ALA 199 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kbw h ALA 199 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kbw h ALA 199 CO 0.01 0.33 0.66 -0.07 0.00 0.00 0.00 179.25 180.18 3kbw h LEU 200 N 0.44 1.13 -0.40 0.00 3.38 -0.56 -2.14 115.31 117.17 3kbw h LEU 200 Ca 0.08 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kbw h LEU 200 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kbw h LEU 200 CO 0.04 0.80 -0.09 0.00 0.09 0.00 0.00 178.44 179.28 3kbw h ALA 201 N 1.39 0.55 -0.86 1.53 0.00 -0.96 -3.04 119.26 117.86 3kbw h ALA 201 Ca 0.38 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kbw h ALA 201 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3kbw h ALA 201 CO -0.10 0.41 0.56 0.35 0.00 0.00 0.00 179.25 180.47 3kbw h PHE 202 N 0.57 1.05 -0.77 0.00 3.57 -0.99 -2.80 116.94 117.58 3kbw h PHE 202 Ca 0.10 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3kbw h PHE 202 Cb 0.61 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 3kbw h PHE 202 CO 0.05 0.63 0.50 0.82 -2.23 0.00 0.00 178.31 178.08 3kbw h ILE 203 N 1.11 0.95 0.00 1.41 2.04 -1.28 -0.21 117.51 121.52 3kbw h ILE 203 Ca 0.33 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3kbw h ILE 203 Cb -0.04 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3kbw h ILE 203 CO -0.10 0.13 0.00 -0.62 0.00 0.00 0.00 178.15 177.56 3kbw n GLU 204 N -4.50 0.09 -0.07 2.37 -0.58 -1.06 -1.73 120.64 115.17 3kbw n GLU 204 Ca 0.13 0.36 0.11 0.00 -0.42 0.00 0.00 57.16 57.33 3kbw n GLU 204 Cb 0.32 -1.68 0.14 0.00 -0.57 0.00 0.00 31.44 29.65 3kbw n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kbw n ARG 205 N -1.86 2.26 -1.96 3.49 5.12 -0.09 -4.97 116.66 118.65 3kbw n ARG 205 Ca 0.02 -2.00 -0.30 0.00 -1.93 0.00 0.00 57.85 53.64 3kbw n ARG 205 Cb 0.18 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 3kbw n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kbw s LEU 206 N -1.71 3.16 0.21 0.55 1.43 -0.71 -4.98 118.68 116.63 3kbw s LEU 206 Ca 0.30 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3kbw s LEU 206 Cb 0.20 -4.20 0.17 0.00 0.03 0.00 0.00 46.19 42.39 3kbw s LEU 206 CO 0.29 -1.01 1.55 -0.33 0.23 0.00 0.00 176.35 177.08 3kbw h GLU 207 N -0.38 0.55 -2.43 1.70 4.39 -1.92 -3.34 114.58 113.15 3kbw h GLU 207 Ca -0.45 -0.31 -0.60 0.00 0.34 0.00 0.00 59.36 58.35 3kbw h GLU 207 Cb 1.21 0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 29.48 3kbw h GLU 207 CO 0.62 0.91 -0.77 0.54 -1.16 0.00 0.00 179.01 179.15 3kbw n ARG 208 N -3.99 1.51 0.24 2.33 1.74 -1.26 -4.96 116.66 112.26 3kbw n ARG 208 Ca -0.02 -4.03 0.17 0.00 -0.77 0.00 0.00 57.85 53.19 3kbw n ARG 208 Cb 0.56 -1.93 0.87 0.00 -1.02 0.00 0.00 32.46 30.93 3kbw n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kbw h PRO 209 N 4.74 0.00 0.00 5.56 0.11 -1.79 -1.34 132.00 139.28 3kbw h PRO 209 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kbw h PRO 209 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kbw h PRO 209 CO 0.64 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 3kbw n GLU 210 N -3.73 0.18 0.00 1.05 0.00 -1.26 -2.02 120.64 114.86 3kbw n GLU 210 Ca 0.00 0.43 0.14 0.00 0.00 0.00 0.00 57.16 57.73 3kbw n GLU 210 Cb 0.27 -1.86 0.62 0.00 0.00 0.00 0.00 31.44 30.47 3kbw n GLU 210 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kbw n LEU 211 N -2.20 0.33 -4.14 -1.84 4.77 -0.50 -4.89 117.00 108.52 3kbw n LEU 211 Ca 0.02 0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 3kbw n LEU 211 Cb 0.21 -0.23 -0.16 0.00 -2.33 0.00 0.00 43.42 40.91 3kbw n LEU 211 CO 0.19 0.06 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.49 3kbw s TYR 212 N -2.56 1.75 0.00 -1.77 1.51 -0.86 -0.87 117.35 114.55 3kbw s TYR 212 Ca 0.27 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 3kbw s TYR 212 Cb 0.20 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3kbw s TYR 212 CO 0.49 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.17 3kbw n GLY 213 N 3.12 4.89 3.56 0.71 0.00 0.17 -4.98 105.19 112.67 3kbw n GLY 213 Ca -0.18 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 3kbw n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbw s VAL 214 N -1.18 3.22 -0.66 1.61 -7.23 -0.26 -0.81 120.40 115.09 3kbw s VAL 214 Ca 0.00 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 3kbw s VAL 214 Cb 0.00 -2.55 0.16 0.00 0.56 0.00 0.00 36.38 34.55 3kbw s VAL 214 CO 0.00 -0.01 0.44 0.21 -0.31 0.00 0.00 175.10 175.43 3kbw s ASN 215 N -2.54 4.62 0.52 4.85 2.47 0.09 -2.74 114.94 122.21 3kbw s ASN 215 Ca 0.23 -3.65 -0.19 0.00 0.42 0.00 0.00 52.86 49.67 3kbw s ASN 215 Cb -0.10 -1.60 -0.07 0.00 -1.45 0.00 0.00 41.25 38.03 3kbw s ASN 215 CO 0.14 -0.12 1.03 -2.84 -3.72 0.00 0.00 177.10 171.60 3kbw s PRO 216 N -1.16 3.69 -0.08 0.43 0.02 -1.26 -4.24 135.00 132.40 3kbw s PRO 216 Ca 0.23 1.26 0.05 0.00 0.02 0.00 0.00 61.00 62.56 3kbw s PRO 216 Cb -0.09 -2.08 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 3kbw s PRO 216 CO -0.13 -0.51 -0.24 -2.00 -0.33 0.00 0.00 177.00 173.79 3kbw s GLU 217 N -3.57 2.78 0.18 5.54 2.12 -1.26 -0.82 118.70 123.67 3kbw s GLU 217 Ca 0.65 -0.87 -0.21 0.00 0.36 0.00 0.00 54.97 54.90 3kbw s GLU 217 Cb -0.15 -2.20 0.10 0.00 0.26 0.00 0.00 34.13 32.14 3kbw s GLU 217 CO 0.26 0.25 1.60 0.28 -0.54 0.00 0.00 175.26 177.11 3kbw h VAL 218 N 5.47 0.23 -0.14 3.70 2.07 -1.72 -1.95 116.25 123.91 3kbw h VAL 218 Ca -0.24 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3kbw h VAL 218 Cb 1.21 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3kbw h VAL 218 CO 0.47 0.00 -0.16 1.23 0.02 0.00 0.00 177.57 179.13 3kbw h GLY 219 N -0.19 0.25 0.93 2.17 0.00 -1.87 -2.81 103.07 101.55 3kbw h GLY 219 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 3kbw h GLY 219 CO -0.60 0.15 -0.22 0.45 0.00 0.00 0.00 176.54 176.32 3kbw h HIS 220 N 0.22 0.76 -0.05 5.60 3.86 -1.70 -0.35 115.15 123.50 3kbw h HIS 220 Ca 0.04 -0.21 -0.12 0.00 -1.16 0.00 0.00 60.37 58.92 3kbw h HIS 220 Cb 0.41 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3kbw h HIS 220 CO 0.01 0.92 -0.52 0.93 0.86 0.00 0.00 177.93 180.13 3kbw h GLU 221 N 0.39 0.12 0.00 2.45 4.39 -1.43 -2.26 114.58 118.25 3kbw h GLU 221 Ca 0.05 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3kbw h GLU 221 Cb 0.77 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3kbw h GLU 221 CO 0.06 0.62 -0.12 1.96 -1.16 0.00 0.00 179.01 180.36 3kbw h GLN 222 N 0.10 0.00 0.00 2.33 4.20 -1.21 -1.83 115.11 118.69 3kbw h GLN 222 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kbw h GLN 222 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3kbw h GLN 222 CO 0.07 0.12 0.00 -1.33 -0.67 0.00 0.00 178.83 177.03 3kbw n MET 223 N -3.31 0.10 -0.24 1.46 2.81 -0.17 -1.19 117.12 116.58 3kbw n MET 223 Ca -0.00 0.34 0.08 0.00 -1.81 0.00 0.00 57.70 56.31 3kbw n MET 223 Cb 0.34 -1.70 0.21 0.00 -0.71 0.00 0.00 33.22 31.37 3kbw n MET 223 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbw n ALA 224 N -1.65 2.28 -1.14 3.04 0.00 -0.77 -4.72 120.51 117.55 3kbw n ALA 224 Ca 0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 53.44 52.25 3kbw n ALA 224 Cb 0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3kbw n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbw n GLY 225 N 0.99 0.73 3.94 0.00 0.00 -0.33 -5.01 105.19 105.51 3kbw n GLY 225 Ca 0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3kbw n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbw s LEU 226 N -1.06 3.63 -0.48 0.99 1.43 -0.76 -5.00 118.68 117.42 3kbw s LEU 226 Ca 0.00 0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 53.35 3kbw s LEU 226 Cb 0.00 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.88 3kbw s LEU 226 CO 0.00 -0.68 0.85 0.21 0.23 0.00 0.00 176.35 176.95 3kbw s ASN 227 N -4.19 6.41 0.02 2.29 3.84 -1.26 -4.31 114.94 117.74 3kbw s ASN 227 Ca 0.48 -0.14 -0.25 0.00 0.21 0.00 0.00 52.86 53.16 3kbw s ASN 227 Cb -0.10 -2.41 -0.18 0.00 -0.55 0.00 0.00 41.25 38.01 3kbw s ASN 227 CO 0.40 -1.02 1.45 0.15 -2.79 0.00 0.00 177.10 175.29 3kbw h PHE 228 N 9.08 -0.04 -0.88 0.43 3.57 -1.92 -2.07 116.94 125.12 3kbw h PHE 228 Ca -0.25 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.39 3kbw h PHE 228 Cb 1.08 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.76 3kbw h PHE 228 CO 0.84 0.25 0.57 -1.35 -2.23 0.00 0.00 178.31 176.39 3kbw h PRO 229 N -0.32 0.67 -0.82 6.41 0.11 -1.93 -0.23 132.00 135.90 3kbw h PRO 229 Ca -0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3kbw h PRO 229 Cb 0.30 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3kbw h PRO 229 CO 0.01 0.44 0.34 0.45 -0.21 0.00 0.00 178.00 179.03 3kbw h HIS 230 N 0.69 1.22 -0.39 0.65 3.86 -1.87 -0.62 115.15 118.70 3kbw h HIS 230 Ca 0.44 -0.08 -0.16 0.00 -1.16 0.00 0.00 60.37 59.41 3kbw h HIS 230 Cb 0.69 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3kbw h HIS 230 CO -0.00 0.91 -0.37 0.78 0.86 0.00 0.00 177.93 180.11 3kbw h GLY 231 N 1.18 1.02 1.24 2.45 0.00 -0.50 -1.76 103.07 106.71 3kbw h GLY 231 Ca 0.27 -1.02 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3kbw h GLY 231 CO -0.03 0.93 0.16 -2.22 0.00 0.00 0.00 176.54 175.38 3kbw h ILE 232 N 0.77 1.24 -0.89 2.60 1.08 -0.92 -1.54 117.51 119.86 3kbw h ILE 232 Ca 0.07 -0.87 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 3kbw h ILE 232 Cb 0.96 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 3kbw h ILE 232 CO 0.09 0.33 0.58 0.00 -0.69 0.00 0.00 178.15 178.46 3kbw h ALA 233 N 1.26 1.14 -0.63 1.87 0.00 -0.72 0.11 119.26 122.29 3kbw h ALA 233 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3kbw h ALA 233 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kbw h ALA 233 CO -0.00 0.49 0.04 0.37 0.00 0.00 0.00 179.25 180.15 3kbw h GLN 234 N 1.17 1.07 -0.53 0.00 4.15 -0.75 0.11 115.11 120.34 3kbw h GLN 234 Ca 0.33 -0.32 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3kbw h GLN 234 Cb -0.09 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3kbw h GLN 234 CO -0.09 1.02 0.11 0.00 -1.93 0.00 0.00 178.83 177.95 3kbw h ALA 235 N 1.04 0.70 -0.74 3.38 0.00 -0.77 -1.83 119.26 121.04 3kbw h ALA 235 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kbw h ALA 235 Cb 0.51 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kbw h ALA 235 CO 0.02 0.41 0.31 -0.07 0.00 0.00 0.00 179.25 179.93 3kbw h LEU 236 N 0.75 1.01 -1.47 0.00 3.38 -0.55 -0.86 115.31 117.58 3kbw h LEU 236 Ca 0.16 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kbw h LEU 236 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3kbw h LEU 236 CO 0.00 0.90 0.37 -0.25 0.09 0.00 0.00 178.44 179.55 3kbw h TRP 237 N 1.06 0.68 -0.00 1.13 7.01 -0.55 -1.65 115.95 123.63 3kbw h TRP 237 Ca 0.25 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3kbw h TRP 237 Cb 0.19 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3kbw h TRP 237 CO 0.02 0.42 -0.12 0.00 -2.79 0.00 0.00 178.44 175.97 3kbw n ALA 238 N -2.46 2.65 -2.01 2.65 0.00 -0.71 -4.93 120.51 115.71 3kbw n ALA 238 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 3kbw n ALA 238 Cb 0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 3kbw n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbw n GLY 239 N 1.46 0.20 0.02 0.00 0.00 -0.62 -4.96 105.19 101.29 3kbw n GLY 239 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.48 3kbw n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbw n LYS 240 N -1.75 2.41 -2.79 1.61 4.76 -0.37 -4.92 118.16 117.12 3kbw n LYS 240 Ca -0.07 -1.70 -0.43 0.00 -2.87 0.00 0.00 58.31 53.24 3kbw n LYS 240 Cb 0.52 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 3kbw n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kbw s LEU 241 N -1.38 4.46 0.18 -0.35 2.96 -1.23 -1.11 118.68 122.21 3kbw s LEU 241 Ca 0.08 -1.84 0.20 0.00 -0.22 0.00 0.00 54.13 52.35 3kbw s LEU 241 Cb 0.07 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3kbw s LEU 241 CO 0.01 -1.23 1.04 -0.26 -1.32 0.00 0.00 176.35 174.59 3kbw h PHE 242 N 9.17 0.00 -2.73 5.38 -1.00 -1.87 -3.48 116.94 122.41 3kbw h PHE 242 Ca 0.18 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.01 3kbw h PHE 242 Cb 1.02 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.46 3kbw h PHE 242 CO 1.21 0.26 0.32 -1.58 -1.61 0.00 0.00 178.31 176.91 3kbw s HIS 243 N -3.15 -0.38 -0.10 -0.55 2.46 -1.21 -4.86 115.29 107.51 3kbw s HIS 243 Ca -0.00 0.13 -0.14 0.00 0.47 0.00 0.00 55.06 55.52 3kbw s HIS 243 Cb 0.09 0.59 0.03 0.00 -0.13 0.00 0.00 32.58 33.16 3kbw s HIS 243 CO 0.78 -0.83 0.36 -1.50 -2.47 0.00 0.00 174.74 171.08 3kbw s ILE 244 N -3.56 0.02 -0.19 0.89 2.07 -1.26 -4.03 121.20 115.14 3kbw s ILE 244 Ca 0.05 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3kbw s ILE 244 Cb -0.02 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 3kbw s ILE 244 CO -0.07 -0.08 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.01 3kbw s ASP 245 N -0.32 4.27 -0.14 4.50 1.01 0.00 -3.12 116.67 122.86 3kbw s ASP 245 Ca -0.05 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.82 3kbw s ASP 245 Cb -0.03 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 3kbw s ASP 245 CO 0.02 0.05 0.01 -0.76 0.21 0.00 0.00 175.17 174.70 3kbw s LEU 246 N 1.08 3.58 0.00 1.23 1.43 0.18 -2.04 118.68 124.14 3kbw s LEU 246 Ca 0.01 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3kbw s LEU 246 Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3kbw s LEU 246 CO -0.01 0.24 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 3kbw n ASN 247 N 3.09 0.00 -4.14 2.29 0.23 -1.26 -2.66 115.26 112.81 3kbw n ASN 247 Ca -0.17 -0.52 -0.14 0.00 -0.53 0.00 0.00 54.58 53.22 3kbw n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 3kbw n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kbw s GLY 248 N -1.12 0.73 -0.14 4.83 0.00 0.06 -4.46 107.32 107.22 3kbw s GLY 248 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 3kbw s GLY 248 CO 0.00 -1.13 0.34 1.62 0.00 0.00 0.00 173.10 173.94 3kbw s GLN 249 N -2.46 0.34 -1.10 2.90 2.00 -1.26 -1.29 119.66 118.80 3kbw s GLN 249 Ca 0.01 0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 53.89 3kbw s GLN 249 Cb -0.05 0.01 0.27 0.00 0.80 0.00 0.00 33.01 34.04 3kbw s GLN 249 CO -0.00 -0.13 1.11 -0.80 -0.50 0.00 0.00 175.29 174.96 3kbw s ASN 250 N 1.02 7.27 0.00 6.67 0.01 -1.26 -3.48 114.94 125.16 3kbw s ASN 250 Ca -0.07 -3.49 0.00 0.00 -0.71 0.00 0.00 52.86 48.60 3kbw s ASN 250 Cb -0.07 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.36 3kbw s ASN 250 CO -0.08 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 3kbw n GLY 251 N 2.89 -1.74 3.49 0.66 0.00 -1.26 -4.69 105.19 104.54 3kbw n GLY 251 Ca 0.24 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 3kbw n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbw s ILE 252 N 0.00 4.36 0.00 -0.61 1.01 -1.26 -4.42 121.20 120.28 3kbw s ILE 252 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3kbw s ILE 252 Cb 0.00 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.86 3kbw s ILE 252 CO 0.00 -1.29 0.00 2.29 0.00 0.00 0.00 174.94 175.94 3kbw n LYS 253 N 7.58 0.00 -1.10 2.79 2.85 -1.26 -5.10 118.16 123.92 3kbw n LYS 253 Ca -0.01 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 3kbw n LYS 253 Cb 0.46 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.93 3kbw n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3kbw n TYR 254 N 0.00 -1.23 -2.07 5.58 4.11 -1.26 -4.85 117.16 117.45 3kbw n TYR 254 Ca 0.00 0.30 -0.40 0.00 -0.00 0.00 0.00 57.90 57.80 3kbw n TYR 254 Cb 0.00 -1.85 -0.03 0.00 -0.00 0.00 0.00 39.34 37.46 3kbw n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3kbw s ASP 255 N -1.61 5.47 0.12 9.48 2.15 -1.26 -4.87 116.67 126.14 3kbw s ASP 255 Ca 0.61 0.52 -0.04 0.00 0.43 0.00 0.00 52.55 54.07 3kbw s ASP 255 Cb -0.30 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 39.65 3kbw s ASP 255 CO 0.62 -2.19 1.26 1.56 -0.17 0.00 0.00 175.17 176.26 3kbw h GLN 256 N 14.20 0.36 -6.23 4.34 4.20 -1.88 -3.48 115.11 126.63 3kbw h GLN 256 Ca -0.27 -0.44 -0.45 0.00 0.06 0.00 0.00 58.65 57.54 3kbw h GLN 256 Cb 1.16 0.14 0.01 0.00 0.30 0.00 0.00 27.48 29.08 3kbw h GLN 256 CO 1.18 1.13 -0.83 -0.25 -0.67 0.00 0.00 178.83 179.40 3kbw n ASP 257 N -3.69 -1.82 -4.73 1.46 9.92 -1.24 -4.63 116.55 111.82 3kbw n ASP 257 Ca -0.07 -0.85 -0.29 0.00 -0.53 0.00 0.00 54.79 53.05 3kbw n ASP 257 Cb 0.89 -3.80 0.14 0.00 -0.64 0.00 0.00 41.12 37.71 3kbw n ASP 257 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kbw s LEU 258 N -6.88 2.02 0.67 0.64 1.43 -0.41 -0.20 118.68 115.95 3kbw s LEU 258 Ca 0.16 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 3kbw s LEU 258 Cb -0.08 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3kbw s LEU 258 CO 0.83 -2.69 1.21 0.00 0.23 0.00 0.00 176.35 175.93 3kbw s ARG 259 N -5.06 2.54 0.30 1.70 1.70 -1.26 -0.76 118.95 118.11 3kbw s ARG 259 Ca 0.64 1.78 -0.30 0.00 -0.47 0.00 0.00 55.73 57.38 3kbw s ARG 259 Cb -0.17 -1.88 -0.11 0.00 -0.57 0.00 0.00 34.95 32.22 3kbw s ARG 259 CO 0.56 -1.53 1.55 0.12 -1.08 0.00 0.00 175.30 174.92 3kbw s PHE 260 N -1.82 2.77 0.00 5.89 5.36 -1.26 -1.62 117.98 127.31 3kbw s PHE 260 Ca 0.76 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 3kbw s PHE 260 Cb -0.30 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.36 3kbw s PHE 260 CO 0.40 -3.34 0.00 0.41 -1.46 0.00 0.00 175.22 171.23 3kbw n GLY 261 N 1.89 2.71 3.74 13.12 0.00 -1.26 -4.46 105.19 120.93 3kbw n GLY 261 Ca 0.07 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kbw n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw s ALA 262 N -2.60 1.44 0.00 4.61 0.00 -0.64 -4.40 121.76 120.17 3kbw s ALA 262 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3kbw s ALA 262 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3kbw s ALA 262 CO 0.00 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.56 3kbw n GLY 263 N -1.88 0.81 3.49 0.00 0.00 -1.26 -4.15 105.19 102.20 3kbw n GLY 263 Ca 0.07 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3kbw n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbw s ASP 264 N -4.00 6.34 0.17 1.61 -1.08 -1.23 -4.88 116.67 113.61 3kbw s ASP 264 Ca 0.00 -1.23 -0.08 0.00 -0.52 0.00 0.00 52.55 50.72 3kbw s ASP 264 Cb 0.00 -2.47 0.06 0.00 -1.46 0.00 0.00 42.92 39.05 3kbw s ASP 264 CO 0.00 -1.44 1.56 0.25 0.52 0.00 0.00 175.17 176.06 3kbw h LEU 265 N 11.73 0.94 -0.85 -1.34 5.85 -1.81 -2.15 115.31 127.68 3kbw h LEU 265 Ca -0.09 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 3kbw h LEU 265 Cb 1.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3kbw h LEU 265 CO 1.23 1.14 -0.05 0.03 -0.34 0.00 0.00 178.44 180.45 3kbw h ARG 266 N 0.78 0.81 -0.48 1.25 2.47 -1.94 -1.74 114.38 115.53 3kbw h ARG 266 Ca 0.10 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 3kbw h ARG 266 Cb 0.82 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 3kbw h ARG 266 CO 0.07 0.84 0.19 0.00 0.56 0.00 0.00 179.97 181.63 3kbw h ALA 267 N 1.20 1.45 -0.72 0.04 0.00 -1.92 -1.14 119.26 118.17 3kbw h ALA 267 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kbw h ALA 267 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3kbw h ALA 267 CO 0.03 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.92 3kbw h ALA 268 N 1.54 1.02 -0.15 0.00 0.00 -0.74 -0.02 119.26 120.91 3kbw h ALA 268 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kbw h ALA 268 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kbw h ALA 268 CO -0.02 0.65 0.05 0.35 0.00 0.00 0.00 179.25 180.29 3kbw h PHE 269 N 1.07 0.24 0.00 0.00 3.57 -0.59 -1.02 116.94 120.20 3kbw h PHE 269 Ca 0.23 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3kbw h PHE 269 Cb 0.31 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kbw h PHE 269 CO 0.02 0.34 -0.39 -1.49 -2.23 0.00 0.00 178.31 174.56 3kbw h TRP 270 N 0.07 0.00 -0.12 0.41 4.06 -1.03 -1.14 115.95 118.19 3kbw h TRP 270 Ca 0.05 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 3kbw h TRP 270 Cb 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3kbw h TRP 270 CO -0.00 0.39 -0.07 1.25 -3.56 0.00 0.00 178.44 176.45 3kbw h LEU 271 N 0.00 0.27 -0.83 -4.49 5.85 -0.76 -1.65 115.31 113.71 3kbw h LEU 271 Ca -0.00 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3kbw h LEU 271 Cb 0.78 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3kbw h LEU 271 CO 0.05 0.63 0.24 0.58 -0.34 0.00 0.00 178.44 179.61 3kbw h VAL 272 N -0.09 1.26 -0.51 1.05 2.07 -0.90 0.02 116.25 119.14 3kbw h VAL 272 Ca 0.03 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3kbw h VAL 272 Cb 0.53 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3kbw h VAL 272 CO 0.02 0.34 0.16 -0.78 0.02 0.00 0.00 177.57 177.33 3kbw h ASP 273 N 1.08 0.13 -0.22 0.57 3.58 -1.16 -1.11 116.42 119.29 3kbw h ASP 273 Ca 0.24 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.71 3kbw h ASP 273 Cb 0.28 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3kbw h ASP 273 CO -0.01 0.10 -0.07 0.25 -2.88 0.00 0.00 179.24 176.62 3kbw h LEU 274 N 0.32 0.44 -0.74 2.28 5.85 -0.73 0.63 115.31 123.37 3kbw h LEU 274 Ca 0.25 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3kbw h LEU 274 Cb 0.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kbw h LEU 274 CO -0.28 0.72 0.36 -0.07 -0.34 0.00 0.00 178.44 178.83 3kbw h LEU 275 N 0.15 0.96 -0.08 2.25 3.38 -0.69 -0.09 115.31 121.19 3kbw h LEU 275 Ca 0.05 -0.13 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 3kbw h LEU 275 Cb 0.54 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kbw h LEU 275 CO 0.03 0.82 -1.04 -0.33 0.09 0.00 0.00 178.44 178.01 3kbw h GLU 276 N 1.03 0.30 0.00 1.13 4.39 -1.22 -1.54 114.58 118.67 3kbw h GLU 276 Ca 0.25 -0.39 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 3kbw h GLU 276 Cb 0.11 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3kbw h GLU 276 CO -0.03 1.11 -0.47 0.66 -1.16 0.00 0.00 179.01 179.12 3kbw h SER 277 N 0.14 0.00 1.12 1.42 4.64 -0.53 -2.83 113.55 117.52 3kbw h SER 277 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kbw h SER 277 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3kbw h SER 277 CO 0.17 0.47 -0.07 0.00 -0.87 0.00 0.00 176.83 176.53 3kbw n ALA 278 N -2.23 2.44 -2.91 5.18 0.00 -0.08 -4.93 120.51 117.99 3kbw n ALA 278 Ca 0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 3kbw n ALA 278 Cb 0.70 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.76 3kbw n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbw n GLY 279 N 1.42 -0.11 3.66 0.00 0.00 -0.85 -4.94 105.19 104.37 3kbw n GLY 279 Ca 0.06 -0.13 -0.47 0.00 0.00 0.00 0.00 46.02 45.48 3kbw n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbw n TYR 280 N -4.14 2.21 0.01 1.61 9.36 -0.64 -4.87 117.16 120.70 3kbw n TYR 280 Ca -0.05 0.26 0.03 0.00 3.32 0.00 0.00 57.90 61.46 3kbw n TYR 280 Cb 0.57 -2.54 0.07 0.00 -0.63 0.00 0.00 39.34 36.81 3kbw n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3kbw n SER 281 N 3.83 2.21 -3.44 2.98 3.41 -1.26 -4.92 113.62 116.44 3kbw n SER 281 Ca 0.18 -1.78 -0.19 0.00 -0.26 0.00 0.00 58.87 56.81 3kbw n SER 281 Cb 0.28 -0.09 0.13 0.00 -0.26 0.00 0.00 64.21 64.27 3kbw n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbw n GLY 282 N 0.14 -0.87 3.75 5.00 0.00 -1.26 -5.01 105.19 106.93 3kbw n GLY 282 Ca 0.06 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 3kbw n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kbw s PRO 283 N -4.84 2.96 -0.77 1.61 0.02 -1.26 -4.97 135.00 127.76 3kbw s PRO 283 Ca 0.51 1.91 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 3kbw s PRO 283 Cb -0.02 -1.97 0.19 0.00 0.02 0.00 0.00 34.50 32.72 3kbw s PRO 283 CO 0.35 -1.24 0.73 1.03 -0.33 0.00 0.00 177.00 177.54 3kbw s ARG 284 N -3.26 3.47 -0.10 5.54 3.00 -0.08 -4.38 118.95 123.14 3kbw s ARG 284 Ca 0.77 -2.25 -0.11 0.00 0.00 0.00 0.00 55.73 54.14 3kbw s ARG 284 Cb -0.33 -4.42 -0.05 0.00 0.00 0.00 0.00 34.95 30.15 3kbw s ARG 284 CO 0.36 -1.33 0.26 -1.58 0.00 0.00 0.00 175.30 173.01 3kbw s HIS 285 N 0.64 3.59 -0.30 -0.53 2.46 -1.18 -1.15 115.29 118.83 3kbw s HIS 285 Ca 0.15 0.68 -0.08 0.00 0.47 0.00 0.00 55.06 56.28 3kbw s HIS 285 Cb -0.14 -2.17 -0.00 0.00 -0.13 0.00 0.00 32.58 30.14 3kbw s HIS 285 CO -0.06 0.55 0.12 -0.06 -2.47 0.00 0.00 174.74 172.81 3kbw s PHE 286 N -0.57 3.16 -0.65 3.88 0.08 -0.28 0.49 117.98 124.09 3kbw s PHE 286 Ca 0.18 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.43 3kbw s PHE 286 Cb -0.14 -2.30 0.17 0.00 -0.57 0.00 0.00 43.02 40.18 3kbw s PHE 286 CO 0.06 -0.50 0.52 0.34 -0.10 0.00 0.00 175.22 175.55 3kbw s ASP 287 N 1.57 5.81 0.13 1.36 -1.08 -1.09 -3.71 116.67 119.66 3kbw s ASP 287 Ca 0.04 -2.60 -0.03 0.00 -0.52 0.00 0.00 52.55 49.44 3kbw s ASP 287 Cb -0.17 -2.00 -0.03 0.00 -1.46 0.00 0.00 42.92 39.26 3kbw s ASP 287 CO 0.04 -0.50 0.12 0.72 0.52 0.00 0.00 175.17 176.07 3kbw s PHE 288 N 0.32 0.70 -0.19 -5.34 -0.71 -1.26 -4.61 117.98 106.89 3kbw s PHE 288 Ca 0.15 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 54.96 3kbw s PHE 288 Cb -0.18 -0.35 0.04 0.00 -1.21 0.00 0.00 43.02 41.31 3kbw s PHE 288 CO -0.05 -0.57 -0.11 0.15 -1.34 0.00 0.00 175.22 173.31 3kbw s LYS 289 N -4.01 2.13 0.17 1.99 1.02 0.72 -4.44 119.74 117.31 3kbw s LYS 289 Ca 0.21 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 55.04 3kbw s LYS 289 Cb 0.06 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 3kbw s LYS 289 CO 0.00 -0.40 1.76 -2.30 -0.92 0.00 0.00 175.35 173.49 3kbw n PRO 290 N 4.68 2.73 -1.47 -1.68 -0.02 -1.26 -4.69 135.00 133.29 3kbw n PRO 290 Ca -0.15 0.99 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 3kbw n PRO 290 Cb 0.47 -2.85 0.05 0.00 -0.02 0.00 0.00 33.50 31.16 3kbw n PRO 290 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kbw n PRO 291 N 4.61 0.60 0.00 0.52 -0.02 -1.26 -4.84 135.00 134.61 3kbw n PRO 291 Ca 0.17 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3kbw n PRO 291 Cb 0.35 -1.95 0.68 0.00 -0.02 0.00 0.00 33.50 32.57 3kbw n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kbw n ARG 292 N -0.74 0.49 0.24 -0.52 1.85 -1.26 -1.50 116.66 115.22 3kbw n ARG 292 Ca 0.12 0.03 0.17 0.00 -1.00 0.00 0.00 57.85 57.17 3kbw n ARG 292 Cb 0.48 -1.50 0.80 0.00 -1.05 0.00 0.00 32.46 31.19 3kbw n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3kbw h THR 293 N 0.00 0.00 -3.19 8.89 1.35 -1.97 -3.45 112.91 114.53 3kbw h THR 293 Ca 0.00 -0.18 -0.58 0.00 -0.55 0.00 0.00 66.41 65.11 3kbw h THR 293 Cb 0.18 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.56 3kbw h THR 293 CO 0.00 0.00 -0.28 -1.61 -0.25 0.00 0.00 175.52 173.38 3kbw s GLU 294 N -3.72 3.65 0.02 4.72 0.41 -0.56 -5.10 118.70 118.11 3kbw s GLU 294 Ca -0.01 -0.02 -0.00 0.00 -0.41 0.00 0.00 54.97 54.53 3kbw s GLU 294 Cb 0.10 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 3kbw s GLU 294 CO 0.39 0.46 0.03 -0.40 -0.49 0.00 0.00 175.26 175.25 3kbw n ASP 295 N 0.15 0.03 0.13 -0.19 5.68 -1.26 -4.85 116.55 116.23 3kbw n ASP 295 Ca -0.03 -1.03 0.03 0.00 -0.50 0.00 0.00 54.79 53.27 3kbw n ASP 295 Cb 0.52 -0.02 0.42 0.00 -1.14 0.00 0.00 41.12 40.90 3kbw n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3kbw h PHE 296 N -0.46 0.22 -0.99 2.11 0.04 -1.99 -0.22 116.94 115.66 3kbw h PHE 296 Ca -0.01 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3kbw h PHE 296 Cb 0.03 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 3kbw h PHE 296 CO 0.00 0.32 0.65 -0.44 -0.60 0.00 0.00 178.31 178.24 3kbw h ASP 297 N 0.21 1.12 0.92 2.17 3.32 -2.00 -2.09 116.42 120.07 3kbw h ASP 297 Ca 0.05 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3kbw h ASP 297 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kbw h ASP 297 CO 0.02 0.81 -0.48 1.23 -1.72 0.00 0.00 179.24 179.10 3kbw h GLY 298 N 1.32 0.00 0.99 2.75 0.00 -1.45 -1.57 103.07 105.11 3kbw h GLY 298 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3kbw h GLY 298 CO -0.08 0.00 0.13 -2.08 0.00 0.00 0.00 176.54 174.51 3kbw h VAL 299 N 0.00 1.07 -0.03 4.60 2.07 -0.56 0.38 116.25 123.78 3kbw h VAL 299 Ca -0.00 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 3kbw h VAL 299 Cb 1.06 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3kbw h VAL 299 CO 0.06 0.06 -0.64 -0.50 0.02 0.00 0.00 177.57 176.57 3kbw h TRP 300 N 0.27 0.17 -0.58 1.57 4.06 -1.25 -1.35 115.95 118.84 3kbw h TRP 300 Ca 0.08 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3kbw h TRP 300 Cb -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 3kbw h TRP 300 CO -0.06 0.73 0.23 0.00 -3.56 0.00 0.00 178.44 175.78 3kbw h ALA 301 N 1.25 0.75 -0.47 1.49 0.00 -1.10 -0.59 119.26 120.59 3kbw h ALA 301 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kbw h ALA 301 Cb 1.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3kbw h ALA 301 CO 0.09 0.36 0.22 1.03 0.00 0.00 0.00 179.25 180.96 3kbw h SER 302 N 0.79 0.62 -0.33 0.00 0.87 -0.58 -1.49 113.55 113.43 3kbw h SER 302 Ca 0.19 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3kbw h SER 302 Cb 0.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kbw h SER 302 CO -0.02 0.58 0.21 0.00 -0.53 0.00 0.00 176.83 177.08 3kbw h ALA 303 N 1.07 0.42 -0.85 6.23 0.00 -1.11 -2.15 119.26 122.86 3kbw h ALA 303 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kbw h ALA 303 Cb 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3kbw h ALA 303 CO -0.02 -0.11 0.56 0.00 0.00 0.00 0.00 179.25 179.68 3kbw h ALA 304 N 1.11 1.46 -0.19 0.00 0.00 -0.97 -2.42 119.26 118.24 3kbw h ALA 304 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kbw h ALA 304 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3kbw h ALA 304 CO -0.03 0.47 -0.23 0.78 0.00 0.00 0.00 179.25 180.24 3kbw h GLY 305 N 1.08 0.38 0.25 0.00 0.00 -0.75 -0.88 103.07 103.13 3kbw h GLY 305 Ca 0.33 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.45 3kbw h GLY 305 CO -0.09 0.26 -0.09 0.00 0.00 0.00 0.00 176.54 176.61 3kbw h MET 307 N 0.00 0.56 -0.23 0.00 2.86 -1.43 -2.74 114.93 113.95 3kbw h MET 307 Ca 0.18 -0.32 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3kbw h MET 307 Cb 0.28 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3kbw h MET 307 CO -0.39 0.92 -0.06 -0.09 1.06 0.00 0.00 176.91 178.35 3kbw h ARG 308 N 0.24 -0.01 -0.56 1.72 2.43 -1.04 -1.67 114.38 115.49 3kbw h ARG 308 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3kbw h ARG 308 Cb 0.86 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3kbw h ARG 308 CO 0.07 -0.01 0.12 -0.91 -1.51 0.00 0.00 179.97 177.73 3kbw h ASN 309 N -0.01 0.81 -0.22 -3.80 2.35 -1.03 -0.09 115.58 113.58 3kbw h ASN 309 Ca 0.11 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kbw h ASN 309 Cb 0.18 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3kbw h ASN 309 CO -0.24 0.80 0.10 0.22 -1.65 0.00 0.00 177.43 176.66 3kbw h TYR 310 N 0.83 0.19 -0.18 1.19 5.03 -1.18 -1.57 116.97 121.27 3kbw h TYR 310 Ca 0.18 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.37 3kbw h TYR 310 Cb 0.32 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 3kbw h TYR 310 CO 0.02 0.10 -0.44 -0.07 -1.32 0.00 0.00 178.16 176.46 3kbw h LEU 311 N 0.22 0.46 -0.06 2.82 3.38 -0.57 -0.08 115.31 121.48 3kbw h LEU 311 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kbw h LEU 311 Cb 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kbw h LEU 311 CO -0.07 0.84 0.00 0.40 0.09 0.00 0.00 178.44 179.71 3kbw h ILE 312 N 0.35 1.23 -0.57 1.22 2.04 -0.86 -1.94 117.51 119.00 3kbw h ILE 312 Ca 0.03 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kbw h ILE 312 Cb 0.91 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3kbw h ILE 312 CO 0.08 0.20 0.35 -0.07 0.00 0.00 0.00 178.15 178.71 3kbw h LEU 313 N -0.17 0.67 -0.40 1.44 3.38 -1.12 -1.12 115.31 117.99 3kbw h LEU 313 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kbw h LEU 313 Cb 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kbw h LEU 313 CO 0.00 0.50 0.24 0.50 0.09 0.00 0.00 178.44 179.78 3kbw h LYS 314 N 0.78 0.54 -0.50 1.13 3.64 -0.87 0.13 116.57 121.42 3kbw h LYS 314 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kbw h LYS 314 Cb -0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3kbw h LYS 314 CO -0.04 0.41 0.28 1.49 -2.27 0.00 0.00 179.45 179.32 3kbw h GLU 315 N 0.52 0.70 -0.46 1.90 4.81 -0.55 -1.68 114.58 119.83 3kbw h GLU 315 Ca 0.14 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3kbw h GLU 315 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3kbw h GLU 315 CO -0.03 0.54 -0.25 0.00 -0.73 0.00 0.00 179.01 178.54 3kbw h ARG 316 N 0.67 0.98 -0.59 1.92 2.47 -0.83 -1.67 114.38 117.33 3kbw h ARG 316 Ca 0.18 -0.44 -0.06 0.00 -1.26 0.00 0.00 59.98 58.40 3kbw h ARG 316 Cb 0.04 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 3kbw h ARG 316 CO -0.03 1.11 0.11 0.00 0.56 0.00 0.00 179.97 181.72 3kbw h ALA 317 N 0.87 1.08 -0.51 0.04 0.00 -0.65 -1.07 119.26 119.01 3kbw h ALA 317 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3kbw h ALA 317 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kbw h ALA 317 CO 0.07 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 3kbw h ALA 318 N 1.22 0.70 -0.64 0.00 0.00 -1.15 -1.41 119.26 117.99 3kbw h ALA 318 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3kbw h ALA 318 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kbw h ALA 318 CO 0.01 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.89 3kbw h ALA 319 N 0.92 0.90 -0.10 0.00 0.00 -1.07 -1.92 119.26 117.98 3kbw h ALA 319 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kbw h ALA 319 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kbw h ALA 319 CO 0.04 0.67 -0.09 0.35 0.00 0.00 0.00 179.25 180.21 3kbw h PHE 320 N 1.01 -0.22 0.00 0.00 3.57 -1.00 -2.28 116.94 118.01 3kbw h PHE 320 Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3kbw h PHE 320 Cb 0.49 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3kbw h PHE 320 CO 0.04 -0.14 -0.24 0.00 -2.23 0.00 0.00 178.31 175.73 3kbw h ARG 321 N -0.11 0.00 -0.00 1.11 2.47 -1.06 -2.92 114.38 113.88 3kbw h ARG 321 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3kbw h ARG 321 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3kbw h ARG 321 CO -0.17 0.24 -0.42 0.00 0.56 0.00 0.00 179.97 180.18 3kbw n ALA 322 N -2.23 3.37 -2.39 0.04 0.00 -0.74 -4.74 120.51 113.82 3kbw n ALA 322 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 3kbw n ALA 322 Cb 0.43 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 3kbw n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbw s ASP 323 N -2.96 6.90 0.47 0.00 -1.08 -0.88 -4.90 116.67 114.22 3kbw s ASP 323 Ca 0.13 1.69 0.20 0.00 -0.52 0.00 0.00 52.55 54.04 3kbw s ASP 323 Cb 0.18 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.30 3kbw s ASP 323 CO 0.67 -0.80 1.95 -0.65 0.52 0.00 0.00 175.17 176.86 3kbw h PRO 324 N 8.39 0.24 -0.07 4.34 0.11 -1.90 -1.26 132.00 141.85 3kbw h PRO 324 Ca -0.27 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 3kbw h PRO 324 Cb 1.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3kbw h PRO 324 CO 0.97 0.16 -0.49 0.93 -0.21 0.00 0.00 178.00 179.36 3kbw h GLU 325 N 0.24 0.18 -0.28 1.05 5.08 -1.95 -1.37 114.58 117.53 3kbw h GLU 325 Ca 0.32 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3kbw h GLU 325 Cb 0.92 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3kbw h GLU 325 CO -0.07 0.63 -0.24 0.28 -1.00 0.00 0.00 179.01 178.61 3kbw h VAL 326 N 0.14 1.30 -0.83 3.13 2.07 -1.55 -0.83 116.25 119.69 3kbw h VAL 326 Ca 0.01 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3kbw h VAL 326 Cb 0.92 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3kbw h VAL 326 CO 0.07 0.44 0.44 1.56 0.02 0.00 0.00 177.57 180.10 3kbw h GLN 327 N 0.40 1.16 -0.55 1.57 4.20 -1.13 0.12 115.11 120.88 3kbw h GLN 327 Ca 0.05 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3kbw h GLN 327 Cb 0.80 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3kbw h GLN 327 CO 0.06 0.86 0.07 1.49 -0.67 0.00 0.00 178.83 180.64 3kbw h GLU 328 N 1.16 0.93 -0.36 1.46 4.81 -1.20 -2.59 114.58 118.79 3kbw h GLU 328 Ca 0.29 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kbw h GLU 328 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kbw h GLU 328 CO -0.04 0.91 -0.05 0.00 -0.73 0.00 0.00 179.01 179.10 3kbw h ALA 329 N 0.99 1.25 -0.79 2.92 0.00 -0.19 0.03 119.26 123.47 3kbw h ALA 329 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kbw h ALA 329 Cb 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3kbw h ALA 329 CO 0.01 0.50 0.33 -0.07 0.00 0.00 0.00 179.25 180.02 3kbw h LEU 330 N 0.55 1.08 -0.46 0.00 3.38 -0.60 -1.01 115.31 118.24 3kbw h LEU 330 Ca 0.11 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3kbw h LEU 330 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kbw h LEU 330 CO 0.02 0.95 -0.15 0.03 0.09 0.00 0.00 178.44 179.38 3kbw h ARG 331 N 1.14 0.91 0.00 1.13 3.08 -1.05 -1.00 114.38 118.59 3kbw h ARG 331 Ca 0.27 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3kbw h ARG 331 Cb 0.19 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kbw h ARG 331 CO -0.02 1.02 -0.04 0.00 -1.07 0.00 0.00 179.97 179.85 3kbw h ALA 332 N 0.86 1.90 -0.25 0.04 0.00 -0.46 -1.39 119.26 119.97 3kbw h ALA 332 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kbw h ALA 332 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kbw h ALA 332 CO 0.05 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.79 3kbw n SER 333 N -4.45 2.09 -2.82 0.00 7.64 -0.43 -4.78 113.62 110.87 3kbw n SER 333 Ca -0.03 -1.81 -0.22 0.00 1.01 0.00 0.00 58.87 57.82 3kbw n SER 333 Cb 0.13 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3kbw n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kbw n ARG 334 N 0.61 -3.83 0.15 1.43 3.00 -0.52 -4.90 116.66 112.59 3kbw n ARG 334 Ca 0.16 0.94 0.05 0.00 -0.01 0.00 0.00 57.85 58.99 3kbw n ARG 334 Cb 0.38 -5.74 0.50 0.00 0.00 0.00 0.00 32.46 27.60 3kbw n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kbw h LEU 335 N -0.93 0.18 -1.35 0.55 -0.00 -1.44 -1.49 115.31 110.84 3kbw h LEU 335 Ca -0.52 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.34 3kbw h LEU 335 Cb 1.37 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.95 3kbw h LEU 335 CO 0.58 0.22 0.30 -2.24 -0.00 0.00 0.00 178.44 177.29 3kbw h ASP 336 N 0.21 0.66 0.75 -0.43 2.03 -1.88 -2.46 116.42 115.29 3kbw h ASP 336 Ca 0.05 -0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 3kbw h ASP 336 Cb 0.13 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.45 3kbw h ASP 336 CO 0.00 0.53 -0.62 -0.33 -1.03 0.00 0.00 179.24 177.79 3kbw h GLU 337 N 0.75 0.00 -0.24 4.15 5.08 -1.68 -2.73 114.58 119.91 3kbw h GLU 337 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kbw h GLU 337 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kbw h GLU 337 CO -0.03 0.62 0.14 1.25 -1.00 0.00 0.00 179.01 179.99 3kbw h LEU 338 N 0.00 0.28 -0.12 1.33 5.85 -0.88 -2.35 115.31 119.42 3kbw h LEU 338 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kbw h LEU 338 Cb 1.17 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3kbw h LEU 338 CO 0.08 0.22 -0.14 0.00 -0.34 0.00 0.00 178.44 178.26 3kbw n ALA 339 N -2.50 2.76 -2.64 1.25 0.00 -1.03 -4.80 120.51 113.54 3kbw n ALA 339 Ca 0.01 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 3kbw n ALA 339 Cb 0.09 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 3kbw n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbw s ARG 340 N -2.69 3.69 0.41 0.00 0.52 -0.88 -5.04 118.95 114.96 3kbw s ARG 340 Ca 0.23 0.08 -0.26 0.00 -0.52 0.00 0.00 55.73 55.26 3kbw s ARG 340 Cb 0.19 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 3kbw s ARG 340 CO 0.52 0.60 1.30 -2.30 0.02 0.00 0.00 175.30 175.44 3kbw n PRO 341 N 1.00 2.05 -0.16 3.54 -0.02 -1.26 -4.90 135.00 135.24 3kbw n PRO 341 Ca -0.09 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 3kbw n PRO 341 Cb 0.52 -2.42 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3kbw n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbw h THR 342 N 2.25 1.26 -1.04 3.45 2.02 -1.93 -3.39 112.91 115.53 3kbw h THR 342 Ca -0.48 -1.22 -0.38 0.00 0.77 0.00 0.00 66.41 65.09 3kbw h THR 342 Cb 1.29 0.96 -0.27 0.00 -1.74 0.00 0.00 68.15 68.38 3kbw h THR 342 CO 0.61 0.43 -0.82 0.00 0.37 0.00 0.00 175.52 176.11 3kbw n ALA 343 N -2.49 0.62 0.30 6.16 0.00 -1.26 -4.91 120.51 118.93 3kbw n ALA 343 Ca 0.02 -2.45 0.17 0.00 0.00 0.00 0.00 53.44 51.17 3kbw n ALA 343 Cb 0.38 -1.05 0.78 0.00 0.00 0.00 0.00 19.45 19.56 3kbw n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kbw h ALA 344 N 3.59 1.00 0.00 0.00 0.00 -1.99 -1.50 119.26 120.36 3kbw h ALA 344 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kbw h ALA 344 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kbw h ALA 344 CO 0.37 0.00 -0.01 0.38 0.00 0.00 0.00 179.25 179.99 3kbw h ASP 345 N 0.00 0.00 -5.00 0.00 2.03 -1.95 -3.49 116.42 108.01 3kbw h ASP 345 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kbw h ASP 345 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 3kbw h ASP 345 CO 0.00 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 3kbw n GLY 346 N 0.19 1.87 0.16 7.15 0.00 -0.57 -4.37 105.19 109.62 3kbw n GLY 346 Ca 0.01 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 3kbw n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbw h LEU 347 N 0.00 -0.13 -0.39 0.99 5.85 -1.95 -0.70 115.31 118.99 3kbw h LEU 347 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kbw h LEU 347 Cb 0.00 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3kbw h LEU 347 CO 0.00 -0.03 0.14 -0.61 -0.34 0.00 0.00 178.44 177.60 3kbw h GLN 348 N 0.11 0.59 -0.54 1.25 5.75 -1.99 0.12 115.11 120.39 3kbw h GLN 348 Ca 0.18 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3kbw h GLN 348 Cb 0.24 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3kbw h GLN 348 CO -0.29 0.57 0.19 0.00 -2.65 0.00 0.00 178.83 176.66 3kbw h ALA 349 N 0.99 1.32 -0.59 3.38 0.00 -1.71 -1.29 119.26 121.36 3kbw h ALA 349 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kbw h ALA 349 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kbw h ALA 349 CO -0.01 0.50 0.09 1.25 0.00 0.00 0.00 179.25 181.08 3kbw h LEU 350 N 0.78 0.94 -1.63 0.00 5.85 0.05 -1.38 115.31 119.92 3kbw h LEU 350 Ca 0.18 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kbw h LEU 350 Cb 0.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3kbw h LEU 350 CO -0.01 0.96 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.78 3kbw h LEU 351 N 0.88 0.00 -0.09 2.25 3.38 -0.43 -2.65 115.31 118.65 3kbw h LEU 351 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kbw h LEU 351 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kbw h LEU 351 CO 0.01 0.19 -0.39 0.47 0.09 0.00 0.00 178.44 178.81 3kbw n ASP 352 N -4.26 0.53 -4.50 -0.43 8.00 -0.52 -4.82 116.55 110.55 3kbw n ASP 352 Ca -0.02 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 3kbw n ASP 352 Cb 0.26 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3kbw n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbw s ASP 353 N -2.89 6.17 0.57 -2.24 2.15 -0.57 -4.89 116.67 114.97 3kbw s ASP 353 Ca 0.14 -0.72 0.34 0.00 0.43 0.00 0.00 52.55 52.75 3kbw s ASP 353 Cb 0.18 -2.49 1.69 0.00 -0.30 0.00 0.00 42.92 42.01 3kbw s ASP 353 CO 0.64 -1.63 2.13 0.03 -0.17 0.00 0.00 175.17 176.18 3kbw h ARG 354 N 9.78 0.00 0.00 4.34 3.08 -1.87 -1.96 114.38 127.75 3kbw h ARG 354 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3kbw h ARG 354 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kbw h ARG 354 CO 1.23 0.05 0.00 -1.13 -1.07 0.00 0.00 179.97 179.05 3kbw n SER 355 N -3.33 0.00 -0.21 7.04 3.41 -1.26 -0.15 113.62 119.12 3kbw n SER 355 Ca -0.01 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 3kbw n SER 355 Cb 0.21 -0.36 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 3kbw n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbw n ALA 356 N -1.36 3.36 0.03 7.33 0.00 -0.73 -3.92 120.51 125.22 3kbw n ALA 356 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3kbw n ALA 356 Cb 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3kbw n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbw n PHE 357 N -0.82 -2.39 -0.22 0.00 7.35 -0.99 -4.85 117.46 115.54 3kbw n PHE 357 Ca 0.10 0.21 0.01 0.00 -0.76 0.00 0.00 57.45 57.01 3kbw n PHE 357 Cb 0.36 0.94 0.13 0.00 0.35 0.00 0.00 39.48 41.26 3kbw n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbw h GLU 358 N 0.00 0.48 -0.20 -4.13 3.07 -1.68 -2.56 114.58 109.57 3kbw h GLU 358 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kbw h GLU 358 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3kbw h GLU 358 CO 0.00 0.32 0.00 0.39 -1.40 0.00 0.00 179.01 178.32 3kbw n GLU 359 N -4.94 2.53 -2.78 2.33 1.02 0.78 -5.01 120.64 114.57 3kbw n GLU 359 Ca 0.10 -2.68 -0.41 0.00 -0.02 0.00 0.00 57.16 54.15 3kbw n GLU 359 Cb 0.28 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3kbw n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbw s PHE 360 N -2.64 3.75 -0.88 -0.32 5.36 -0.97 -4.83 117.98 117.46 3kbw s PHE 360 Ca 0.37 1.70 -0.18 0.00 -0.96 0.00 0.00 56.93 57.86 3kbw s PHE 360 Cb 0.30 -3.02 0.14 0.00 -0.34 0.00 0.00 43.02 40.09 3kbw s PHE 360 CO 0.08 0.16 1.05 0.34 -1.46 0.00 0.00 175.22 175.39 3kbw s ASP 361 N 0.26 6.59 0.31 6.13 -1.08 -1.26 -4.87 116.67 122.75 3kbw s ASP 361 Ca 0.46 -2.02 0.04 0.00 -0.52 0.00 0.00 52.55 50.51 3kbw s ASP 361 Cb -0.22 -2.37 0.52 0.00 -1.46 0.00 0.00 42.92 39.38 3kbw s ASP 361 CO 0.28 -1.03 1.80 1.62 0.52 0.00 0.00 175.17 178.35 3kbw h VAL 362 N 5.72 1.23 -0.53 1.11 3.04 -1.96 -2.29 116.25 122.58 3kbw h VAL 362 Ca 0.10 -1.04 -0.09 0.00 -1.01 0.00 0.00 66.70 64.66 3kbw h VAL 362 Cb 1.03 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 3kbw h VAL 362 CO 1.07 0.34 -0.02 0.44 -1.01 0.00 0.00 177.57 178.39 3kbw h ASP 363 N 0.44 0.93 -0.24 3.17 3.32 -1.99 -0.11 116.42 121.93 3kbw h ASP 363 Ca 0.08 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 3kbw h ASP 363 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3kbw h ASP 363 CO 0.03 1.02 -0.34 0.00 -1.72 0.00 0.00 179.24 178.23 3kbw h ALA 364 N 0.94 0.76 -0.27 3.45 0.00 -1.89 -2.23 119.26 120.01 3kbw h ALA 364 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3kbw h ALA 364 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kbw h ALA 364 CO 0.03 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.06 3kbw h ALA 365 N 0.97 0.35 -0.11 0.00 0.00 -1.21 -2.69 119.26 116.57 3kbw h ALA 365 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kbw h ALA 365 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kbw h ALA 365 CO 0.08 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.31 3kbw h ALA 366 N 0.97 1.88 0.00 0.00 0.00 -0.87 -2.13 119.26 119.11 3kbw h ALA 366 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kbw h ALA 366 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kbw h ALA 366 CO -0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3kbw n ALA 367 N -2.52 2.00 -2.48 0.00 0.00 -0.85 -4.77 120.51 111.89 3kbw n ALA 367 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3kbw n ALA 367 Cb 0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3kbw n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbw s ARG 368 N -3.15 4.36 0.52 0.00 0.52 -0.80 -5.00 118.95 115.39 3kbw s ARG 368 Ca 0.08 1.65 -0.17 0.00 -0.52 0.00 0.00 55.73 56.78 3kbw s ARG 368 Cb 0.12 -3.56 -0.08 0.00 0.52 0.00 0.00 34.95 31.96 3kbw s ARG 368 CO 0.48 -0.44 0.99 0.20 0.02 0.00 0.00 175.30 176.55 3kbw s GLY 369 N 1.45 2.10 0.13 -3.53 0.00 -1.26 -4.96 107.32 101.25 3kbw s GLY 369 Ca 0.55 0.22 0.25 0.00 0.00 0.00 0.00 44.72 45.75 3kbw s GLY 369 CO 0.22 0.50 1.54 1.03 0.00 0.00 0.00 173.10 176.39 3kbw n MET 370 N -1.56 0.23 -2.16 2.90 0.00 -1.26 -4.96 117.12 110.31 3kbw n MET 370 Ca 0.07 0.11 -0.21 0.00 0.00 0.00 0.00 57.70 57.68 3kbw n MET 370 Cb 0.54 -1.69 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 3kbw n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kbw n ALA 371 N -1.75 -0.53 0.15 3.04 0.00 -1.26 -4.15 120.51 116.01 3kbw n ALA 371 Ca 0.05 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.71 3kbw n ALA 371 Cb 0.42 -2.14 0.22 0.00 0.00 0.00 0.00 19.45 17.94 3kbw n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kbw h PHE 372 N 0.00 0.00 -0.23 0.00 0.04 -1.96 -2.97 116.94 111.81 3kbw h PHE 372 Ca -0.47 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.13 3kbw h PHE 372 Cb 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 3kbw h PHE 372 CO 0.57 0.55 -0.53 0.93 -0.60 0.00 0.00 178.31 179.23 3kbw h GLU 373 N 0.00 0.77 -0.58 1.51 4.39 -1.99 0.77 114.58 119.46 3kbw h GLU 373 Ca -0.01 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 3kbw h GLU 373 Cb 1.04 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 3kbw h GLU 373 CO 0.07 1.14 0.31 -0.09 -1.16 0.00 0.00 179.01 179.28 3kbw h ARG 374 N 0.51 0.81 -0.44 2.33 2.43 -1.98 0.20 114.38 118.25 3kbw h ARG 374 Ca 0.00 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3kbw h ARG 374 Cb 1.14 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 3kbw h ARG 374 CO 0.12 0.63 0.21 1.25 -1.51 0.00 0.00 179.97 180.67 3kbw h LEU 375 N 0.78 0.31 -1.03 3.80 5.85 -1.35 -1.37 115.31 122.30 3kbw h LEU 375 Ca 0.20 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3kbw h LEU 375 Cb 0.06 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kbw h LEU 375 CO -0.03 0.22 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.04 3kbw h ASP 376 N 0.43 0.04 0.33 1.25 3.58 -0.46 -1.40 116.42 120.18 3kbw h ASP 376 Ca 0.19 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 3kbw h ASP 376 Cb 0.10 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3kbw h ASP 376 CO -0.14 0.51 -0.62 -0.61 -2.88 0.00 0.00 179.24 175.50 3kbw h GLN 377 N 0.03 0.28 -0.86 0.28 5.75 -0.50 -0.57 115.11 119.53 3kbw h GLN 377 Ca -0.00 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3kbw h GLN 377 Cb 0.84 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 3kbw h GLN 377 CO 0.06 0.81 0.46 -0.07 -2.65 0.00 0.00 178.83 177.44 3kbw h LEU 378 N 0.21 1.09 -0.73 -2.39 3.38 -0.86 -0.50 115.31 115.52 3kbw h LEU 378 Ca -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kbw h LEU 378 Cb 1.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3kbw h LEU 378 CO 0.10 0.89 0.30 0.00 0.09 0.00 0.00 178.44 179.82 3kbw h ALA 379 N 1.29 0.95 -0.11 1.53 0.00 -0.94 -1.17 119.26 120.81 3kbw h ALA 379 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kbw h ALA 379 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kbw h ALA 379 CO -0.05 0.56 0.06 1.98 0.00 0.00 0.00 179.25 181.80 3kbw h MET 380 N 1.04 0.16 -0.75 0.00 1.85 -0.77 -0.27 114.93 116.19 3kbw h MET 380 Ca 0.24 -0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.39 3kbw h MET 380 Cb 0.20 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.13 3kbw h MET 380 CO -0.02 0.21 0.42 -0.44 -0.40 0.00 0.00 176.91 176.68 3kbw h ASP 381 N 0.06 0.61 -0.27 1.39 3.32 -0.96 -0.62 116.42 119.95 3kbw h ASP 381 Ca 0.04 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3kbw h ASP 381 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kbw h ASP 381 CO -0.01 0.37 0.06 0.45 -1.72 0.00 0.00 179.24 178.39 3kbw h HIS 382 N 0.74 0.47 -0.63 4.55 3.86 -1.00 0.90 115.15 124.04 3kbw h HIS 382 Ca 0.35 -0.06 0.07 0.00 -1.16 0.00 0.00 60.37 59.56 3kbw h HIS 382 Cb 0.27 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 3kbw h HIS 382 CO -0.07 0.54 0.32 1.25 0.86 0.00 0.00 177.93 180.82 3kbw h LEU 383 N 0.27 0.44 -0.16 2.43 5.85 -0.50 -2.37 115.31 121.27 3kbw h LEU 383 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kbw h LEU 383 Cb 0.31 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3kbw h LEU 383 CO 0.00 0.28 -0.07 0.18 -0.34 0.00 0.00 178.44 178.50 3kbw n LEU 384 N -4.86 0.31 -2.19 2.25 4.77 -0.29 -4.92 117.00 112.08 3kbw n LEU 384 Ca 0.08 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 3kbw n LEU 384 Cb 0.20 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3kbw n LEU 384 CO 0.27 0.06 0.05 0.61 -1.33 0.00 0.00 177.39 177.05 3kbw n GLY 385 N 1.26 -0.07 1.47 -0.72 0.00 -0.46 -4.94 105.19 101.73 3kbw n GLY 385 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3kbw n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbw n ALA 386 N -3.33 4.72 -2.40 4.61 0.00 0.19 -5.03 120.51 119.27 3kbw n ALA 386 Ca -0.05 -3.20 -0.42 0.00 0.00 0.00 0.00 53.44 49.78 3kbw n ALA 386 Cb 0.57 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 3kbw n ALA 386 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbw s ARG 387 N -3.33 4.49 0.00 0.00 1.81 -1.25 -4.90 118.95 115.77 3kbw s ARG 387 Ca 0.48 1.69 0.00 0.00 -1.72 0.00 0.00 55.73 56.19 3kbw s ARG 387 Cb 0.43 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 3kbw s ARG 387 CO 0.01 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.90