#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbw s LYS 8 N 0.00 4.27 0.56 5.55 1.02 -1.26 -4.91 119.74 124.97 2jbw s LYS 8 Ca 0.00 2.33 0.28 0.00 0.02 0.00 0.00 55.97 58.60 2jbw s LYS 8 Cb 0.00 -3.06 1.47 0.00 -0.52 0.00 0.00 37.83 35.72 2jbw s LYS 8 CO 0.00 -0.35 1.95 -1.35 -0.92 0.00 0.00 175.35 174.68 2jbw h PRO 9 N 3.90 0.00 0.00 -1.68 0.11 -2.04 0.20 132.00 132.48 2jbw h PRO 9 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jbw h PRO 9 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jbw h PRO 9 CO 0.70 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.64 2jbw n GLU 10 N -4.06 0.03 0.00 1.05 0.28 -1.26 -2.64 120.64 114.05 2jbw n GLU 10 Ca 0.10 0.23 0.03 0.00 -0.16 0.00 0.00 57.16 57.36 2jbw n GLU 10 Cb 0.67 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 32.03 2jbw n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jbw n ASP 11 N -1.47 0.92 0.00 -1.84 8.00 0.05 -5.04 116.55 117.17 2jbw n ASP 11 Ca 0.04 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2jbw n ASP 11 Cb 0.16 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2jbw n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jbw n GLU 12 N -0.40 0.00 -3.60 -1.24 1.02 -1.08 -5.01 120.64 110.33 2jbw n GLU 12 Ca 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 2jbw n GLU 12 Cb 0.14 -0.31 -0.05 0.00 -0.02 0.00 0.00 31.44 31.19 2jbw n GLU 12 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jbw s ASP 14 N -1.53 -0.31 -1.37 1.62 1.01 -1.26 -5.12 116.67 109.71 2jbw s ASP 14 Ca 0.00 0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.64 2jbw s ASP 14 Cb 0.00 0.35 0.00 0.00 1.01 0.00 0.00 42.92 44.28 2jbw s ASP 14 CO 0.00 -0.24 0.42 0.59 0.21 0.00 0.00 175.17 176.16 2jbw n ASN 15 N 1.01 -5.44 -0.25 0.27 3.02 -1.26 -4.91 115.26 107.70 2jbw n ASN 15 Ca -0.09 -0.20 0.05 0.00 -0.03 0.00 0.00 54.58 54.31 2jbw n ASN 15 Cb 0.58 -4.32 0.29 0.00 -0.61 0.00 0.00 39.78 35.71 2jbw n ASN 15 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2jbw h TRP 16 N -0.97 0.92 -0.22 3.10 4.06 -1.99 0.27 115.95 121.12 2jbw h TRP 16 Ca -0.45 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.51 2jbw h TRP 16 Cb 1.31 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 2jbw h TRP 16 CO 0.46 0.49 0.07 0.78 -3.56 0.00 0.00 178.44 176.68 2jbw h GLY 17 N 0.92 0.37 0.87 1.49 0.00 -1.91 0.14 103.07 104.95 2jbw h GLY 17 Ca 0.35 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.48 2jbw h GLY 17 CO -0.12 0.20 0.18 -0.09 0.00 0.00 0.00 176.54 176.71 2jbw h ARG 18 N 0.20 0.36 -0.19 4.80 2.43 -1.68 -0.15 114.38 120.14 2jbw h ARG 18 Ca 0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2jbw h ARG 18 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2jbw h ARG 18 CO -0.00 0.24 0.10 -0.07 -1.51 0.00 0.00 179.97 178.72 2jbw h LEU 19 N 0.37 0.16 -0.10 3.80 -0.00 -0.36 0.91 115.31 120.09 2jbw h LEU 19 Ca 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.06 2jbw h LEU 19 Cb 0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.63 2jbw h LEU 19 CO -0.08 0.12 -0.13 0.40 -0.00 0.00 0.00 178.44 178.75 2jbw h ILE 20 N 0.21 0.65 -0.91 1.22 1.08 -0.65 -0.83 117.51 118.29 2jbw h ILE 20 Ca 0.07 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.61 2jbw h ILE 20 Cb 0.01 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 2jbw h ILE 20 CO -0.04 0.00 0.59 -0.07 -0.69 0.00 0.00 178.15 177.94 2jbw h LEU 21 N -0.17 0.92 -0.40 1.44 3.38 -0.68 -2.14 115.31 117.67 2jbw h LEU 21 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jbw h LEU 21 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jbw h LEU 21 CO -0.20 0.59 0.00 0.44 0.09 0.00 0.00 178.44 179.36 2jbw h ASP 22 N 1.05 0.00 0.00 -0.43 3.32 -0.37 -3.45 116.42 116.53 2jbw h ASP 22 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2jbw h ASP 22 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jbw h ASP 22 CO -0.14 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.99 2jbw n GLY 23 N 0.81 0.88 3.69 2.75 0.00 -0.44 -4.56 105.19 108.32 2jbw n GLY 23 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2jbw n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jbw s VAL 24 N -1.44 5.07 0.26 1.61 1.01 -0.49 -4.77 120.40 121.65 2jbw s VAL 24 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 2jbw s VAL 24 Cb 0.00 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2jbw s VAL 24 CO 0.00 0.20 0.98 -0.94 0.00 0.00 0.00 175.10 175.34 2jbw s SER 25 N 0.98 7.53 0.25 3.32 1.04 -1.26 -3.62 113.70 121.94 2jbw s SER 25 Ca 0.29 2.03 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2jbw s SER 25 Cb -0.16 -2.61 0.51 0.00 0.10 0.00 0.00 66.02 63.86 2jbw s SER 25 CO 0.12 0.06 1.72 0.22 0.98 0.00 0.00 173.24 176.34 2jbw h TYR 26 N 4.00 0.50 -0.14 5.02 3.20 -1.95 -1.32 116.97 126.28 2jbw h TYR 26 Ca -0.46 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.41 2jbw h TYR 26 Cb 1.20 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2jbw h TYR 26 CO 0.60 0.02 -0.10 0.66 -1.64 0.00 0.00 178.16 177.70 2jbw h SER 27 N 0.41 0.21 0.00 -2.11 4.64 -2.04 -1.13 113.55 113.52 2jbw h SER 27 Ca 0.44 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2jbw h SER 27 Cb 0.73 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2jbw h SER 27 CO -0.45 0.34 0.00 0.47 -0.87 0.00 0.00 176.83 176.32 2jbw n ASP 28 N -4.31 2.10 0.00 4.97 8.00 -0.50 -1.93 116.55 124.89 2jbw n ASP 28 Ca -0.01 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.90 2jbw n ASP 28 Cb 0.24 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2jbw n ASP 28 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jbw n VAL 30 N 0.51 0.00 0.05 2.53 0.31 -0.43 -1.79 118.33 119.51 2jbw n VAL 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jbw n VAL 30 Cb 0.36 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.61 2jbw n VAL 30 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2jbw h GLY 31 N 0.00 0.44 0.87 2.92 0.00 -1.65 -1.62 103.07 104.03 2jbw h GLY 31 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jbw h GLY 31 CO 0.00 0.26 0.05 0.00 0.00 0.00 0.00 176.54 176.85 2jbw h ALA 32 N 1.52 0.18 -0.63 3.60 0.00 -1.63 -1.36 119.26 120.95 2jbw h ALA 32 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jbw h ALA 32 Cb 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2jbw h ALA 32 CO 0.02 -0.22 0.42 -0.09 0.00 0.00 0.00 179.25 179.38 2jbw h ARG 33 N 0.07 0.65 -0.40 0.00 2.43 -1.73 -2.76 114.38 112.64 2jbw h ARG 33 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2jbw h ARG 33 Cb 0.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2jbw h ARG 33 CO -0.00 0.43 0.01 -0.25 -1.51 0.00 0.00 179.97 178.65 2jbw n ASP 34 N -4.47 4.60 -4.77 -3.80 8.00 -0.66 -5.01 116.55 110.43 2jbw n ASP 34 Ca 0.08 -3.01 -0.33 0.00 0.71 0.00 0.00 54.79 52.24 2jbw n ASP 34 Cb 0.19 -0.61 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 2jbw n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbw s ARG 35 N -2.83 2.79 0.58 -1.24 1.70 -0.52 -4.98 118.95 114.44 2jbw s ARG 35 Ca 0.47 1.33 -0.20 0.00 -0.47 0.00 0.00 55.73 56.87 2jbw s ARG 35 Cb 0.38 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.75 2jbw s ARG 35 CO 0.11 -1.25 1.09 -2.30 -1.08 0.00 0.00 175.30 171.87 2jbw n PRO 36 N -2.53 1.12 0.26 3.89 -0.02 -1.26 -4.88 135.00 131.58 2jbw n PRO 36 Ca 0.10 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 2jbw n PRO 36 Cb 0.52 -2.28 0.69 0.00 -0.02 0.00 0.00 33.50 32.41 2jbw n PRO 36 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2jbw h LYS 37 N 0.77 0.00 0.00 -0.52 3.64 -2.00 -2.14 116.57 116.33 2jbw h LYS 37 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2jbw h LYS 37 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2jbw h LYS 37 CO 0.53 0.14 -0.05 0.39 -2.27 0.00 0.00 179.45 178.19 2jbw n GLU 38 N -3.70 0.05 -2.98 1.90 4.71 -1.26 -4.82 120.64 114.54 2jbw n GLU 38 Ca -0.02 0.04 -0.41 0.00 -0.01 0.00 0.00 57.16 56.77 2jbw n GLU 38 Cb 0.25 -1.56 -0.05 0.00 -1.01 0.00 0.00 31.44 29.08 2jbw n GLU 38 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2jbw s ILE 39 N -3.02 4.96 0.66 -3.67 -1.09 -0.81 -5.05 121.20 113.18 2jbw s ILE 39 Ca 0.13 1.50 -0.12 0.00 -2.23 0.00 0.00 60.65 59.93 2jbw s ILE 39 Cb 0.18 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2jbw s ILE 39 CO 0.56 0.12 1.05 0.42 -1.23 0.00 0.00 174.94 175.86 2jbw s THR 40 N 1.60 4.10 0.12 2.92 -4.23 -1.26 -4.89 115.64 114.00 2jbw s THR 40 Ca 0.37 0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 61.40 2jbw s THR 40 Cb -0.17 -3.47 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 2jbw s THR 40 CO 0.15 -0.83 1.69 -0.25 -0.54 0.00 0.00 174.62 174.84 2jbw h TRP 41 N -0.40 -0.25 -0.32 3.99 2.91 -1.97 -0.54 115.95 119.37 2jbw h TRP 41 Ca -0.44 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.65 2jbw h TRP 41 Cb 1.21 0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.93 2jbw h TRP 41 CO 0.62 -0.15 -0.00 0.35 -1.03 0.00 0.00 178.44 178.22 2jbw h PHE 42 N -0.13 -0.02 -0.39 2.65 3.57 -1.94 -2.22 116.94 118.45 2jbw h PHE 42 Ca 0.07 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2jbw h PHE 42 Cb 0.23 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2jbw h PHE 42 CO -0.20 -0.06 0.08 -0.44 -2.23 0.00 0.00 178.31 175.46 2jbw h ASP 43 N 0.09 0.61 -0.38 0.41 3.32 -1.85 -3.15 116.42 115.46 2jbw h ASP 43 Ca 0.15 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.03 2jbw h ASP 43 Cb 0.21 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 2jbw h ASP 43 CO -0.26 0.70 -0.05 0.22 -1.72 0.00 0.00 179.24 178.12 2jbw h TYR 44 N 0.49 -0.12 0.00 4.55 5.03 -0.88 -0.64 116.97 125.41 2jbw h TYR 44 Ca 0.12 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.46 2jbw h TYR 44 Cb 0.34 0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.73 2jbw h TYR 44 CO 0.02 -0.12 0.00 0.91 -1.32 0.00 0.00 178.16 177.65 2jbw n TRP 45 N -5.25 0.00 0.00 -3.82 7.02 -0.85 -2.02 117.44 112.52 2jbw n TRP 45 Ca 0.02 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 2jbw n TRP 45 Cb 0.21 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2jbw n TRP 45 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2jbw n SER 47 N 0.77 0.00 -0.25 -0.99 7.64 -0.25 -1.54 113.62 118.99 2jbw n SER 47 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2jbw n SER 47 Cb 0.33 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2jbw n SER 47 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jbw h LEU 48 N 0.00 0.92 -0.56 -3.43 3.38 -1.64 -1.68 115.31 112.30 2jbw h LEU 48 Ca 0.00 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2jbw h LEU 48 Cb 0.00 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2jbw h LEU 48 CO 0.00 0.81 0.25 0.00 0.09 0.00 0.00 178.44 179.59 2jbw h ALA 49 N 1.14 0.72 -0.48 1.53 0.00 -1.53 -1.07 119.26 119.58 2jbw h ALA 49 Ca 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jbw h ALA 49 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jbw h ALA 49 CO -0.03 -0.14 0.30 -0.91 0.00 0.00 0.00 179.25 178.48 2jbw h ASN 50 N 0.46 0.57 -0.26 0.00 2.35 -1.78 -0.67 115.58 116.25 2jbw h ASN 50 Ca 0.27 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2jbw h ASN 50 Cb 0.26 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2jbw h ASN 50 CO -0.23 0.44 0.16 -0.08 -1.65 0.00 0.00 177.43 176.07 2jbw h GLU 51 N 0.64 0.36 -0.66 0.81 4.81 -1.15 0.33 114.58 119.73 2jbw h GLU 51 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2jbw h GLU 51 Cb -0.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2jbw h GLU 51 CO -0.03 0.28 0.28 1.88 -0.73 0.00 0.00 179.01 180.69 2jbw h TYR 52 N 0.33 0.98 -0.50 0.92 0.05 -1.14 -2.01 116.97 115.61 2jbw h TYR 52 Ca 0.09 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2jbw h TYR 52 Cb 0.02 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2jbw h TYR 52 CO -0.04 0.76 0.19 1.49 -1.05 0.00 0.00 178.16 179.50 2jbw h GLU 53 N 0.92 0.75 -0.45 4.88 4.81 -0.77 -1.43 114.58 123.29 2jbw h GLU 53 Ca 0.22 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2jbw h GLU 53 Cb 0.18 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jbw h GLU 53 CO -0.02 0.68 0.12 1.96 -0.73 0.00 0.00 179.01 181.02 2jbw h GLN 54 N 0.67 0.72 -0.54 1.92 4.20 -0.89 0.26 115.11 121.45 2jbw h GLN 54 Ca 0.17 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2jbw h GLN 54 Cb 0.21 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2jbw h GLN 54 CO -0.01 0.71 0.28 0.93 -0.67 0.00 0.00 178.83 180.07 2jbw h GLU 55 N 0.60 0.52 -0.68 1.46 5.08 -1.28 -2.44 114.58 117.84 2jbw h GLU 55 Ca 0.14 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2jbw h GLU 55 Cb 0.31 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2jbw h GLU 55 CO -0.00 0.34 0.45 0.00 -1.00 0.00 0.00 179.01 178.80 2jbw h ALA 56 N 1.29 0.87 -0.82 3.43 0.00 -0.84 0.14 119.26 123.34 2jbw h ALA 56 Ca 0.24 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2jbw h ALA 56 Cb 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2jbw h ALA 56 CO -0.17 0.30 0.49 0.93 0.00 0.00 0.00 179.25 180.80 2jbw h GLU 57 N 0.93 0.83 -0.37 0.00 5.08 -0.73 0.20 114.58 120.53 2jbw h GLU 57 Ca 0.25 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2jbw h GLU 57 Cb -0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 2jbw h GLU 57 CO -0.05 0.55 -0.05 0.00 -1.00 0.00 0.00 179.01 178.46 2jbw h ARG 58 N 0.86 0.68 -0.50 2.33 3.08 -1.10 -2.46 114.38 117.27 2jbw h ARG 58 Ca 0.38 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 60.25 2jbw h ARG 58 Cb 0.26 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2jbw h ARG 58 CO -0.21 0.82 0.18 0.87 -1.07 0.00 0.00 179.97 180.56 2jbw h LYS 59 N 0.49 0.34 -0.59 0.04 1.79 -0.01 -1.45 116.57 117.18 2jbw h LYS 59 Ca 0.10 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 2jbw h LYS 59 Cb 0.54 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 2jbw h LYS 59 CO 0.03 0.23 0.27 0.28 -1.08 0.00 0.00 179.45 179.17 2jbw h VAL 60 N 0.35 0.86 0.00 0.50 2.07 -0.96 0.77 116.25 119.84 2jbw h VAL 60 Ca 0.24 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2jbw h VAL 60 Cb 0.26 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2jbw h VAL 60 CO -0.25 0.09 -0.20 0.00 0.02 0.00 0.00 177.57 177.23 2jbw h ALA 61 N 1.36 1.30 -0.24 1.67 0.00 -0.81 -2.27 119.26 120.28 2jbw h ALA 61 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jbw h ALA 61 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jbw h ALA 61 CO -0.24 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2jbw n LEU 62 N -3.77 2.21 -0.03 0.00 4.77 -0.31 -4.94 117.00 114.93 2jbw n LEU 62 Ca -0.02 -0.94 -0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2jbw n LEU 62 Cb 0.31 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2jbw n LEU 62 CO 0.33 0.47 -0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2jbw n GLY 63 N 1.24 0.40 2.79 -0.72 0.00 -0.72 -4.97 105.19 103.21 2jbw n GLY 63 Ca 0.17 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2jbw n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jbw n HIS 64 N -3.15 2.77 -0.17 1.61 8.25 0.11 -4.83 115.22 119.81 2jbw n HIS 64 Ca -0.00 -2.85 -0.06 0.00 -0.26 0.00 0.00 57.72 54.54 2jbw n HIS 64 Cb 0.09 -1.09 0.10 0.00 1.12 0.00 0.00 29.99 30.21 2jbw n HIS 64 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2jbw h ASP 65 N 4.54 0.92 0.14 0.41 3.32 -1.90 -0.96 116.42 122.89 2jbw h ASP 65 Ca 0.34 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2jbw h ASP 65 Cb 0.48 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2jbw h ASP 65 CO 1.17 0.95 -0.07 -0.07 -1.72 0.00 0.00 179.24 179.51 2jbw h LEU 66 N 0.89 -0.16 -1.23 1.55 3.38 -1.88 -1.12 115.31 116.74 2jbw h LEU 66 Ca 0.17 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2jbw h LEU 66 Cb 0.46 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2jbw h LEU 66 CO 0.02 0.13 0.57 0.28 0.09 0.00 0.00 178.44 179.53 2jbw h SER 67 N -0.46 0.75 -0.45 -0.43 0.02 -1.90 -2.32 113.55 108.75 2jbw h SER 67 Ca -0.02 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2jbw h SER 67 Cb 0.37 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2jbw h SER 67 CO 0.03 0.43 -0.18 0.00 -1.14 0.00 0.00 176.83 175.97 2jbw h ALA 68 N 1.57 0.63 -0.68 3.77 0.00 -0.78 -1.54 119.26 122.23 2jbw h ALA 68 Ca 0.42 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2jbw h ALA 68 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jbw h ALA 68 CO -0.18 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.55 2jbw h GLY 69 N 0.76 1.21 1.11 0.00 0.00 -0.89 -1.82 103.07 103.44 2jbw h GLY 69 Ca 0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 2jbw h GLY 69 CO 0.06 0.75 0.34 0.83 0.00 0.00 0.00 176.54 178.52 2jbw h GLU 70 N 1.05 1.14 -0.29 4.80 4.39 -1.07 -2.92 114.58 121.69 2jbw h GLU 70 Ca 0.21 -0.18 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2jbw h GLU 70 Cb 0.44 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2jbw h GLU 70 CO 0.01 0.90 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.30 2jbw h LEU 71 N 1.12 0.72 -1.91 1.33 3.38 -1.20 -2.11 115.31 116.64 2jbw h LEU 71 Ca 0.26 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jbw h LEU 71 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jbw h LEU 71 CO -0.03 1.03 0.00 0.18 0.09 0.00 0.00 178.44 179.72 2jbw n LEU 72 N -4.04 1.09 0.00 1.67 7.99 -0.69 -1.15 117.00 121.87 2jbw n LEU 72 Ca -0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.44 2jbw n LEU 72 Cb 0.52 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2jbw n LEU 72 CO 0.46 0.18 0.00 -1.20 -1.51 0.00 0.00 177.39 175.33 2jbw n SER 74 N 0.76 0.00 -0.19 -1.43 7.64 -0.80 -1.10 113.62 118.51 2jbw n SER 74 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jbw n SER 74 Cb 0.18 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.47 2jbw n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jbw h ALA 75 N 0.00 0.59 -0.21 -0.43 0.00 -1.43 -0.70 119.26 117.08 2jbw h ALA 75 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2jbw h ALA 75 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jbw h ALA 75 CO 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 179.25 178.59 2jbw h ALA 76 N 1.50 1.11 0.00 0.00 0.00 -1.39 -1.14 119.26 119.35 2jbw h ALA 76 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2jbw h ALA 76 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jbw h ALA 76 CO -0.46 0.56 -0.49 -0.07 0.00 0.00 0.00 179.25 178.79 2jbw h LEU 77 N 0.36 0.00 -0.38 0.00 3.38 -1.73 -2.62 115.31 114.32 2jbw h LEU 77 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jbw h LEU 77 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jbw h LEU 77 CO 0.05 0.49 0.23 0.00 0.09 0.00 0.00 178.44 179.30 2jbw h ALA 79 N 1.09 0.96 -0.22 0.00 0.00 -1.13 -1.39 119.26 118.58 2jbw h ALA 79 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jbw h ALA 79 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jbw h ALA 79 CO -0.02 0.53 0.13 0.37 0.00 0.00 0.00 179.25 180.25 2jbw h GLN 80 N 1.05 0.30 0.00 0.00 5.75 -1.48 -3.18 115.11 117.56 2jbw h GLN 80 Ca 0.26 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2jbw h GLN 80 Cb 0.12 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2jbw h GLN 80 CO -0.03 0.25 -0.37 -0.92 -2.65 0.00 0.00 178.83 175.11 2jbw h TYR 81 N 0.26 0.00 -0.62 3.99 3.20 -1.14 -2.66 116.97 120.00 2jbw h TYR 81 Ca 0.08 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.10 2jbw h TYR 81 Cb 0.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2jbw h TYR 81 CO -0.04 0.37 0.43 0.00 -1.64 0.00 0.00 178.16 177.28 2jbw h ALA 82 N 1.63 2.38 -0.09 1.82 0.00 -1.23 -3.17 119.26 120.59 2jbw h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jbw h ALA 82 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jbw h ALA 82 CO 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2jbw n GLN 83 N -4.41 2.87 0.30 0.00 -0.00 -1.01 -4.02 117.38 111.11 2jbw n GLN 83 Ca 0.12 -1.74 0.17 0.00 -0.00 0.00 0.00 57.00 55.55 2jbw n GLN 83 Cb 0.59 -1.12 0.93 0.00 -0.00 0.00 0.00 30.24 30.64 2jbw n GLN 83 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2jbw h PHE 84 N 0.56 0.00 -0.01 2.61 -0.00 -1.53 -2.23 116.94 116.34 2jbw h PHE 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2jbw h PHE 84 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.56 2jbw h PHE 84 CO 0.07 0.04 -0.37 1.28 -0.00 0.00 0.00 178.31 179.32 2jbw n LEU 85 N -3.55 1.77 -4.24 2.10 4.32 -1.26 -5.02 117.00 111.13 2jbw n LEU 85 Ca -0.02 -0.62 -0.14 0.00 -0.02 0.00 0.00 56.01 55.21 2jbw n LEU 85 Cb 0.14 -0.04 -0.10 0.00 -1.62 0.00 0.00 43.42 41.80 2jbw n LEU 85 CO 0.26 0.33 -0.40 0.26 -1.22 0.00 0.00 177.39 176.62 2jbw s TRP 86 N -2.44 1.21 -0.01 -1.77 0.51 -0.84 -5.04 118.94 110.55 2jbw s TRP 86 Ca 0.21 -0.81 0.01 0.00 -2.12 0.00 0.00 56.10 53.40 2jbw s TRP 86 Cb 0.19 -0.64 0.02 0.00 -0.81 0.00 0.00 33.47 32.23 2jbw s TRP 86 CO 0.54 0.02 0.78 1.19 -0.51 0.00 0.00 176.95 178.97 2jbw n PHE 87 N -0.18 0.00 -1.22 -1.98 3.72 -1.26 -4.41 117.46 112.12 2jbw n PHE 87 Ca -0.10 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2jbw n PHE 87 Cb 0.61 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 2jbw n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jbw n ASP 88 N -0.29 0.00 -0.37 4.37 5.68 -1.26 -4.83 116.55 119.84 2jbw n ASP 88 Ca 0.01 0.00 0.33 0.00 -0.50 0.00 0.00 54.79 54.63 2jbw n ASP 88 Cb 0.43 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.06 2jbw n ASP 88 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2jbw h GLU 89 N 0.00 0.14 -0.94 0.11 4.81 -2.00 -0.57 114.58 116.14 2jbw h GLU 89 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2jbw h GLU 89 Cb 0.00 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 2jbw h GLU 89 CO 0.00 0.10 0.62 0.00 -0.73 0.00 0.00 179.01 178.99 2jbw h ARG 90 N 0.15 1.16 -0.01 1.92 3.08 -1.93 -0.71 114.38 118.04 2jbw h ARG 90 Ca 0.65 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.63 2jbw h ARG 90 Cb 2.18 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 2jbw h ARG 90 CO -0.18 0.77 0.00 -0.09 -1.07 0.00 0.00 179.97 179.40 2jbw h ARG 91 N 1.20 0.02 -0.23 0.04 2.43 -1.31 0.05 114.38 116.58 2jbw h ARG 91 Ca 0.37 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 2jbw h ARG 91 Cb -0.02 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2jbw h ARG 91 CO -0.11 0.21 -0.11 1.96 -1.51 0.00 0.00 179.97 180.42 2jbw h GLN 92 N -0.18 -0.07 -0.17 0.20 1.08 -1.44 0.91 115.11 115.44 2jbw h GLN 92 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2jbw h GLN 92 Cb 0.20 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2jbw h GLN 92 CO -0.00 -0.05 0.03 0.87 -0.95 0.00 0.00 178.83 178.73 2jbw h LYS 93 N -0.08 0.27 -0.57 1.46 1.57 -1.13 -1.68 116.57 116.42 2jbw h LYS 93 Ca 0.12 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2jbw h LYS 93 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2jbw h LYS 93 CO -0.28 0.45 0.14 0.78 -0.57 0.00 0.00 179.45 179.97 2jbw h GLY 94 N 0.06 0.99 0.84 3.86 0.00 -0.80 -0.88 103.07 107.14 2jbw h GLY 94 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.77 2jbw h GLY 94 CO 0.00 0.58 -0.04 1.46 0.00 0.00 0.00 176.54 178.55 2jbw h GLN 95 N 0.82 -0.04 -0.83 4.80 1.08 -0.85 -0.36 115.11 119.74 2jbw h GLN 95 Ca 0.18 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2jbw h GLN 95 Cb 0.35 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 2jbw h GLN 95 CO 0.00 -0.03 0.50 0.00 -0.95 0.00 0.00 178.83 178.36 2jbw h ALA 96 N 1.00 1.33 -0.12 3.87 0.00 -1.08 -1.54 119.26 122.72 2jbw h ALA 96 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jbw h ALA 96 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jbw h ALA 96 CO -0.07 0.58 0.01 -0.09 0.00 0.00 0.00 179.25 179.68 2jbw h ARG 97 N 1.14 0.21 -0.74 0.00 9.65 -0.94 -2.30 114.38 121.40 2jbw h ARG 97 Ca 0.30 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.21 2jbw h ARG 97 Cb -0.06 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.43 2jbw h ARG 97 CO -0.06 0.42 0.39 -0.22 2.80 0.00 0.00 179.97 183.31 2jbw h LYS 98 N -0.03 0.65 -0.08 0.20 3.64 -0.72 -1.37 116.57 118.87 2jbw h LYS 98 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jbw h LYS 98 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2jbw h LYS 98 CO 0.00 0.43 0.03 0.28 -2.27 0.00 0.00 179.45 177.92 2jbw h VAL 99 N 0.67 1.15 -0.35 2.00 2.07 -1.20 -1.43 116.25 119.17 2jbw h VAL 99 Ca 0.36 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 2jbw h VAL 99 Cb 0.35 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2jbw h VAL 99 CO -0.25 0.13 -0.20 1.05 0.02 0.00 0.00 177.57 178.32 2jbw h GLU 100 N -0.05 0.66 -0.43 1.57 4.11 -1.26 -1.75 114.58 117.43 2jbw h GLU 100 Ca 0.03 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.16 2jbw h GLU 100 Cb 0.19 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jbw h GLU 100 CO -0.00 0.82 0.08 -0.07 0.07 0.00 0.00 179.01 179.91 2jbw h LEU 101 N 0.59 0.67 -0.74 3.06 -0.00 -1.18 -2.88 115.31 114.84 2jbw h LEU 101 Ca 0.09 -0.25 -0.04 0.00 -0.00 0.00 0.00 57.88 57.67 2jbw h LEU 101 Cb 0.67 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 2jbw h LEU 101 CO 0.05 0.75 0.29 0.22 -0.00 0.00 0.00 178.44 179.75 2jbw h TYR 102 N 0.57 1.14 -0.99 1.13 3.20 -1.14 0.03 116.97 120.90 2jbw h TYR 102 Ca 0.13 -0.09 0.18 0.00 3.14 0.00 0.00 58.73 62.10 2jbw h TYR 102 Cb 0.36 -0.34 -0.10 0.00 1.54 0.00 0.00 36.73 38.19 2jbw h TYR 102 CO 0.02 0.87 0.61 1.96 -1.64 0.00 0.00 178.16 179.99 2jbw h GLN 103 N 1.07 0.71 -0.07 1.82 4.20 -1.14 0.65 115.11 122.35 2jbw h GLN 103 Ca 0.25 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.66 2jbw h GLN 103 Cb 0.23 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 27.86 2jbw h GLN 103 CO -0.02 0.47 -0.93 0.87 -0.67 0.00 0.00 178.83 178.55 2jbw h LYS 104 N 0.73 0.75 -0.52 1.46 1.57 -1.27 -3.32 116.57 115.97 2jbw h LYS 104 Ca 0.55 -0.71 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 2jbw h LYS 104 Cb 0.90 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2jbw h LYS 104 CO -0.33 1.30 -0.14 0.00 -0.57 0.00 0.00 179.45 179.71 2jbw h ALA 105 N 0.47 0.76 -0.77 3.86 0.00 -0.29 -3.38 119.26 119.90 2jbw h ALA 105 Ca -0.10 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2jbw h ALA 105 Cb 1.57 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 2jbw h ALA 105 CO 0.19 0.67 -0.58 0.00 0.00 0.00 0.00 179.25 179.53 2jbw h ALA 106 N 0.94 -0.63 0.00 0.00 0.00 -0.99 0.99 119.26 119.57 2jbw h ALA 106 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jbw h ALA 106 Cb 0.71 1.28 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jbw h ALA 106 CO 0.05 -1.00 0.00 -0.35 0.00 0.00 0.00 179.25 177.95 2jbw n PRO 107 N -5.30 0.01 -0.00 0.00 -0.04 -1.26 -1.47 135.00 126.94 2jbw n PRO 107 Ca -0.00 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 2jbw n PRO 107 Cb 0.29 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 2jbw n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jbw n LEU 108 N -1.53 0.83 -4.75 1.53 4.77 0.30 -4.75 117.00 113.39 2jbw n LEU 108 Ca 0.02 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 2jbw n LEU 108 Cb 0.09 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2jbw n LEU 108 CO 0.07 0.21 0.74 -0.76 -1.33 0.00 0.00 177.39 176.32 2jbw s LEU 109 N -3.26 3.26 -0.32 2.23 1.43 -0.93 -4.51 118.68 116.58 2jbw s LEU 109 Ca 0.05 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2jbw s LEU 109 Cb 0.16 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.90 2jbw s LEU 109 CO 0.87 -2.00 0.02 -0.55 0.23 0.00 0.00 176.35 174.93 2jbw s SER 110 N -2.60 4.80 0.73 2.29 0.15 -1.26 -1.10 113.70 116.72 2jbw s SER 110 Ca 0.68 -1.72 -0.11 0.00 0.70 0.00 0.00 55.95 55.49 2jbw s SER 110 Cb -0.22 -1.66 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2jbw s SER 110 CO 0.46 -0.33 1.09 -2.16 1.20 0.00 0.00 173.24 173.51 2jbw s PRO 111 N 1.08 2.67 0.51 5.44 0.04 -1.26 -5.09 135.00 138.38 2jbw s PRO 111 Ca 0.01 0.57 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 2jbw s PRO 111 Cb -0.20 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2jbw s PRO 111 CO -0.05 -1.20 1.19 -1.25 0.04 0.00 0.00 177.00 175.74 2jbw s PRO 112 N -5.26 3.48 -0.25 0.56 0.04 -0.25 -4.85 135.00 128.46 2jbw s PRO 112 Ca 0.59 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 63.24 2jbw s PRO 112 Cb -0.12 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 2jbw s PRO 112 CO 0.53 -0.79 0.65 0.00 0.04 0.00 0.00 177.00 177.43 2jbw s ALA 113 N -1.56 3.62 -0.07 8.56 0.00 -0.54 -4.28 121.76 127.49 2jbw s ALA 113 Ca 0.68 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2jbw s ALA 113 Cb -0.30 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2jbw s ALA 113 CO 0.35 -0.82 0.04 -2.00 0.00 0.00 0.00 175.76 173.33 2jbw s GLU 114 N 2.53 3.05 -0.15 0.00 2.12 0.34 -4.03 118.70 122.55 2jbw s GLU 114 Ca 0.27 -0.40 -0.15 0.00 0.36 0.00 0.00 54.97 55.06 2jbw s GLU 114 Cb -0.15 -2.86 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 2jbw s GLU 114 CO 0.08 0.70 0.33 0.50 -0.54 0.00 0.00 175.26 176.34 2jbw s ARG 115 N -1.15 4.28 -0.15 4.30 3.52 -1.26 -1.11 118.95 127.38 2jbw s ARG 115 Ca 0.16 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 2jbw s ARG 115 Cb -0.12 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2jbw s ARG 115 CO 0.06 0.21 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.56 2jbw s HIS 116 N 0.52 2.73 -0.89 5.12 3.76 0.77 -4.97 115.29 122.33 2jbw s HIS 116 Ca 0.19 -1.24 -0.19 0.00 -0.15 0.00 0.00 55.06 53.67 2jbw s HIS 116 Cb -0.13 -1.86 0.12 0.00 1.11 0.00 0.00 32.58 31.82 2jbw s HIS 116 CO 0.05 -0.57 1.10 -1.21 -0.85 0.00 0.00 174.74 173.26 2jbw s GLU 117 N 0.86 3.54 0.54 1.40 0.41 -1.26 -0.36 118.70 123.82 2jbw s GLU 117 Ca -0.05 -1.66 -0.12 0.00 -0.41 0.00 0.00 54.97 52.72 2jbw s GLU 117 Cb -0.15 -4.83 -0.06 0.00 -1.78 0.00 0.00 34.13 27.31 2jbw s GLU 117 CO -0.02 -1.77 0.96 -0.51 -0.49 0.00 0.00 175.26 173.43 2jbw s LEU 118 N 2.81 3.49 -0.10 1.80 1.02 -1.26 -4.95 118.68 121.49 2jbw s LEU 118 Ca 0.31 1.39 -0.00 0.00 0.02 0.00 0.00 54.13 55.85 2jbw s LEU 118 Cb -0.07 -4.37 0.02 0.00 0.02 0.00 0.00 46.19 41.80 2jbw s LEU 118 CO -0.07 -0.68 -0.08 -0.69 0.02 0.00 0.00 176.35 174.86 2jbw s VAL 119 N -2.83 0.97 -0.29 -1.59 1.01 -1.26 -4.41 120.40 112.00 2jbw s VAL 119 Ca 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jbw s VAL 119 Cb -0.10 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.34 2jbw s VAL 119 CO 0.42 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 175.16 2jbw s VAL 120 N 1.53 2.91 -1.47 2.92 1.01 0.17 -4.62 120.40 122.84 2jbw s VAL 120 Ca 0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 2jbw s VAL 120 Cb -0.13 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2jbw s VAL 120 CO -0.06 -0.07 0.36 -0.67 0.00 0.00 0.00 175.10 174.66 2jbw n ASP 121 N 4.61 -0.31 0.00 3.32 2.03 -1.26 -0.17 116.55 124.77 2jbw n ASP 121 Ca -0.14 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.10 2jbw n ASP 121 Cb 0.44 -2.67 0.00 0.00 -0.72 0.00 0.00 41.12 38.17 2jbw n ASP 121 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jbw n GLY 122 N -2.06 1.18 3.68 0.27 0.00 -1.26 -5.00 105.19 102.00 2jbw n GLY 122 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2jbw n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jbw s ILE 123 N -3.45 5.17 1.40 -0.61 1.01 0.76 -5.08 121.20 120.39 2jbw s ILE 123 Ca 0.00 0.83 -0.23 0.00 0.00 0.00 0.00 60.65 61.25 2jbw s ILE 123 Cb 0.00 -3.78 0.36 0.00 0.01 0.00 0.00 42.46 39.05 2jbw s ILE 123 CO 0.00 0.25 0.96 -2.16 0.00 0.00 0.00 174.94 173.98 2jbw s PRO 124 N 1.26 -2.77 -0.03 2.79 0.04 -1.26 0.45 135.00 135.48 2jbw s PRO 124 Ca 0.22 0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.34 2jbw s PRO 124 Cb -0.15 -1.40 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2jbw s PRO 124 CO 0.09 -4.75 -0.09 -2.14 0.04 0.00 0.00 177.00 170.14 2jbw s PRO 126 N -5.18 1.00 -0.13 0.56 0.02 -1.26 -4.86 135.00 125.15 2jbw s PRO 126 Ca 0.69 -0.31 0.03 0.00 0.02 0.00 0.00 61.00 61.42 2jbw s PRO 126 Cb -0.12 -0.93 0.01 0.00 0.02 0.00 0.00 34.50 33.49 2jbw s PRO 126 CO 0.57 0.11 -0.21 0.08 -0.33 0.00 0.00 177.00 177.23 2jbw s VAL 127 N 0.20 1.92 -0.20 3.83 1.01 0.51 -4.42 120.40 123.26 2jbw s VAL 127 Ca -0.03 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2jbw s VAL 127 Cb -0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2jbw s VAL 127 CO 0.01 0.52 0.40 -0.31 0.00 0.00 0.00 175.10 175.72 2jbw s TYR 128 N 0.78 3.38 -0.07 5.22 2.02 -0.35 -0.16 117.35 128.16 2jbw s TYR 128 Ca -0.09 0.62 0.05 0.00 -0.37 0.00 0.00 57.07 57.28 2jbw s TYR 128 Cb -0.16 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2jbw s TYR 128 CO -0.00 -0.01 -0.23 0.08 -1.57 0.00 0.00 175.55 173.82 2jbw s VAL 129 N 1.29 1.94 -0.04 0.71 1.01 -0.27 -1.08 120.40 123.96 2jbw s VAL 129 Ca 0.19 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2jbw s VAL 129 Cb -0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2jbw s VAL 129 CO 0.08 0.54 -0.21 -0.13 0.00 0.00 0.00 175.10 175.38 2jbw s ARG 130 N 0.12 2.06 -0.07 2.72 0.52 -0.59 -0.51 118.95 123.21 2jbw s ARG 130 Ca -0.11 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 2jbw s ARG 130 Cb -0.15 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.52 2jbw s ARG 130 CO 0.06 0.34 -0.14 0.42 0.02 0.00 0.00 175.30 176.00 2jbw s ILE 131 N -0.15 1.27 0.60 1.52 1.01 -1.26 -0.96 121.20 123.23 2jbw s ILE 131 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 2jbw s ILE 131 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2jbw s ILE 131 CO 0.02 0.38 1.32 -2.84 0.00 0.00 0.00 174.94 173.83 2jbw s PRO 132 N 0.57 2.82 0.00 2.79 0.02 -1.26 -4.76 135.00 135.18 2jbw s PRO 132 Ca -0.14 2.13 0.21 0.00 0.02 0.00 0.00 61.00 63.22 2jbw s PRO 132 Cb -0.16 -2.03 0.97 0.00 0.02 0.00 0.00 34.50 33.30 2jbw s PRO 132 CO 0.04 -1.41 1.66 -0.85 -0.33 0.00 0.00 177.00 176.12 2jbw n GLU 133 N -1.51 0.15 -0.25 5.54 0.28 -1.26 -4.88 120.64 118.71 2jbw n GLU 133 Ca 0.13 0.12 -0.17 0.00 -0.16 0.00 0.00 57.16 57.08 2jbw n GLU 133 Cb 0.47 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.00 2jbw n GLU 133 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jbw n GLY 134 N 0.55 -3.55 3.77 -1.84 0.00 -1.26 -4.97 105.19 97.90 2jbw n GLY 134 Ca 0.07 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 2jbw n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jbw s PRO 135 N -4.25 4.33 0.00 1.61 0.04 -1.26 -5.06 135.00 130.40 2jbw s PRO 135 Ca 0.39 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2jbw s PRO 135 Cb -0.06 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2jbw s PRO 135 CO 0.32 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.67 2jbw n GLY 136 N 0.84 3.23 3.76 0.56 0.00 -1.26 -4.86 105.19 107.45 2jbw n GLY 136 Ca 0.02 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 2jbw n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jbw s PRO 137 N 2.58 1.64 0.11 1.61 0.05 -1.26 -5.12 135.00 134.61 2jbw s PRO 137 Ca 0.00 0.71 0.08 0.00 0.05 0.00 0.00 61.00 61.84 2jbw s PRO 137 Cb 0.00 -1.86 -0.04 0.00 0.05 0.00 0.00 34.50 32.65 2jbw s PRO 137 CO 0.00 -1.95 -0.15 -1.01 0.05 0.00 0.00 177.00 173.95 2jbw s HIS 138 N -3.05 2.62 0.99 0.56 3.76 0.00 -4.73 115.29 115.45 2jbw s HIS 138 Ca 0.62 -0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 2jbw s HIS 138 Cb -0.16 -1.38 0.19 0.00 1.11 0.00 0.00 32.58 32.33 2jbw s HIS 138 CO 0.55 0.40 1.08 -2.14 -0.85 0.00 0.00 174.74 173.79 2jbw s PRO 139 N -2.16 0.45 0.03 8.40 0.02 -1.26 -0.48 135.00 140.00 2jbw s PRO 139 Ca 0.19 0.73 0.01 0.00 0.02 0.00 0.00 61.00 61.95 2jbw s PRO 139 Cb -0.11 -1.72 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 2jbw s PRO 139 CO 0.12 -2.77 -0.06 0.00 -0.33 0.00 0.00 177.00 173.96 2jbw s ALA 140 N -2.84 0.39 -0.20 -1.55 0.00 -0.31 0.12 121.76 117.37 2jbw s ALA 140 Ca 0.65 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2jbw s ALA 140 Cb -0.20 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2jbw s ALA 140 CO 0.59 -0.07 -0.13 0.08 0.00 0.00 0.00 175.76 176.23 2jbw s VAL 141 N -1.35 1.78 0.25 0.00 1.01 0.17 -0.43 120.40 121.84 2jbw s VAL 141 Ca -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 2jbw s VAL 141 Cb -0.10 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2jbw s VAL 141 CO -0.00 0.25 0.34 -0.38 0.00 0.00 0.00 175.10 175.31 2jbw n ILE 142 N 4.65 0.00 -3.59 2.22 5.41 0.24 -1.19 119.36 127.10 2jbw n ILE 142 Ca -0.16 -0.29 -0.01 0.00 1.00 0.00 0.00 62.75 63.29 2jbw n ILE 142 Cb 0.47 -1.76 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 2jbw n ILE 142 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2jbw s LEU 144 N 0.00 -0.45 0.96 1.39 1.43 0.11 -0.02 118.68 122.10 2jbw s LEU 144 Ca 0.20 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 2jbw s LEU 144 Cb -0.01 1.62 0.20 0.00 0.03 0.00 0.00 46.19 48.03 2jbw s LEU 144 CO 0.14 -0.11 1.32 -0.83 0.23 0.00 0.00 176.35 177.10 2jbw s GLY 145 N 1.52 1.78 0.00 -3.19 0.00 -1.26 -2.45 107.32 103.72 2jbw s GLY 145 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2jbw s GLY 145 CO -0.15 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2jbw n GLY 146 N -3.76 4.02 0.10 0.20 0.00 -0.89 -2.53 105.19 102.34 2jbw n GLY 146 Ca 0.15 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 2jbw n GLY 146 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jbw h LEU 147 N 0.00 0.25 0.00 0.99 5.85 -1.93 -3.37 115.31 117.11 2jbw h LEU 147 Ca 0.00 -0.64 -0.16 0.00 0.84 0.00 0.00 57.88 57.92 2jbw h LEU 147 Cb 0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jbw h LEU 147 CO 0.00 0.85 -2.00 -0.62 -0.34 0.00 0.00 178.44 176.33 2jbw n GLU 148 N -4.56 0.92 -3.13 1.25 4.71 -1.26 -4.94 120.64 113.63 2jbw n GLU 148 Ca -0.08 -0.08 -0.35 0.00 -0.01 0.00 0.00 57.16 56.63 2jbw n GLU 148 Cb 0.43 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 29.37 2jbw n GLU 148 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jbw s SER 149 N -4.60 6.96 0.47 1.62 1.04 -1.26 -4.91 113.70 113.02 2jbw s SER 149 Ca -0.07 1.36 0.03 0.00 0.48 0.00 0.00 55.95 57.74 2jbw s SER 149 Cb 0.08 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2jbw s SER 149 CO 0.72 -0.04 0.09 0.35 0.98 0.00 0.00 173.24 175.35 2jbw n THR 150 N 0.39 0.00 0.31 2.02 -2.24 -1.26 -2.10 114.28 111.40 2jbw n THR 150 Ca -0.01 -2.49 0.17 0.00 -2.27 0.00 0.00 64.05 59.46 2jbw n THR 150 Cb 0.52 0.74 0.92 0.00 -2.10 0.00 0.00 70.33 70.41 2jbw n THR 150 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2jbw h LYS 151 N 0.00 0.00 -0.00 -0.78 2.10 -1.95 -1.92 116.57 114.02 2jbw h LYS 151 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2jbw h LYS 151 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2jbw h LYS 151 CO 0.60 0.00 -0.34 0.39 -2.00 0.00 0.00 179.45 178.11 2jbw n GLU 152 N -2.85 0.11 -0.33 0.07 4.71 -1.26 -4.16 120.64 116.93 2jbw n GLU 152 Ca -0.02 -0.05 0.07 0.00 -0.01 0.00 0.00 57.16 57.15 2jbw n GLU 152 Cb 0.23 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.39 2jbw n GLU 152 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2jbw n GLU 153 N -1.40 3.03 -0.44 3.49 1.02 -0.72 -4.58 120.64 121.05 2jbw n GLU 153 Ca 0.07 -2.43 0.09 0.00 -0.02 0.00 0.00 57.16 54.86 2jbw n GLU 153 Cb 0.33 -1.53 0.26 0.00 -0.02 0.00 0.00 31.44 30.47 2jbw n GLU 153 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jbw n SER 154 N 0.50 3.85 -0.16 1.62 3.41 -1.26 -4.79 113.62 116.79 2jbw n SER 154 Ca 0.17 -2.99 -0.03 0.00 -0.26 0.00 0.00 58.87 55.77 2jbw n SER 154 Cb 0.63 -0.53 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2jbw n SER 154 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2jbw h PHE 155 N 1.80 -0.27 0.00 7.33 3.57 -1.88 0.51 116.94 128.00 2jbw h PHE 155 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jbw h PHE 155 Cb 1.42 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2jbw h PHE 155 CO 0.49 -0.22 0.00 0.94 -2.23 0.00 0.00 178.31 177.29 2jbw n GLN 156 N -5.36 0.00 0.00 1.11 0.00 -1.26 -1.01 117.38 110.86 2jbw n GLN 156 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.05 2jbw n GLN 156 Cb 0.27 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.52 2jbw n GLN 156 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jbw n GLU 158 N -0.20 0.00 -0.13 3.69 1.02 0.18 -2.09 120.64 123.10 2jbw n GLU 158 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2jbw n GLU 158 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 31.44 31.78 2jbw n GLU 158 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2jbw h ASN 159 N 0.00 0.64 -0.46 1.62 2.35 -1.31 0.12 115.58 118.54 2jbw h ASN 159 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2jbw h ASN 159 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2jbw h ASN 159 CO 0.00 0.44 0.24 -0.07 -1.65 0.00 0.00 177.43 176.38 2jbw h LEU 160 N 0.74 0.59 -0.40 1.61 3.38 -1.69 -0.95 115.31 118.58 2jbw h LEU 160 Ca 0.26 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 2jbw h LEU 160 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2jbw h LEU 160 CO -0.07 0.53 -0.70 -0.37 0.09 0.00 0.00 178.44 177.92 2jbw h VAL 161 N 0.60 1.36 -0.58 1.22 -1.51 -1.71 -3.06 116.25 112.57 2jbw h VAL 161 Ca 0.16 -2.05 -0.01 0.00 -1.23 0.00 0.00 66.70 63.56 2jbw h VAL 161 Cb 0.08 2.03 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 2jbw h VAL 161 CO -0.02 0.62 0.31 -0.07 -1.23 0.00 0.00 177.57 177.18 2jbw h LEU 162 N 0.33 0.74 -2.08 4.19 3.38 -0.70 -1.04 115.31 120.12 2jbw h LEU 162 Ca -0.03 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.94 2jbw h LEU 162 Cb 1.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2jbw h LEU 162 CO 0.13 0.63 0.29 0.44 0.09 0.00 0.00 178.44 180.02 2jbw h ASP 163 N 0.79 0.00 -0.60 -0.43 3.32 -1.16 -1.95 116.42 116.39 2jbw h ASP 163 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2jbw h ASP 163 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2jbw h ASP 163 CO -0.03 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.03 2jbw n ARG 164 N -4.05 3.96 -0.66 3.56 1.74 -0.43 -5.11 116.66 115.67 2jbw n ARG 164 Ca 0.05 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 2jbw n ARG 164 Cb 0.46 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2jbw n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jbw n GLY 165 N 0.88 0.41 3.59 -0.13 0.00 -0.74 -4.92 105.19 104.28 2jbw n GLY 165 Ca 0.26 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2jbw n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbw s ALA 167 N -2.44 3.09 0.09 4.61 0.00 0.12 -4.20 121.76 123.03 2jbw s ALA 167 Ca 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.07 2jbw s ALA 167 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2jbw s ALA 167 CO 0.00 0.12 -0.17 0.95 0.00 0.00 0.00 175.76 176.66 2jbw s THR 168 N -2.52 1.37 -0.03 0.00 -4.23 -0.14 -0.66 115.64 109.43 2jbw s THR 168 Ca 0.33 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2jbw s THR 168 Cb -0.01 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.53 2jbw s THR 168 CO 0.18 -0.19 -0.06 0.00 -0.54 0.00 0.00 174.62 174.01 2jbw s ALA 169 N -1.35 0.68 0.09 3.99 0.00 -0.34 -1.54 121.76 123.29 2jbw s ALA 169 Ca 0.03 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.89 2jbw s ALA 169 Cb -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2jbw s ALA 169 CO 0.03 0.06 -0.15 0.95 0.00 0.00 0.00 175.76 176.65 2jbw s THR 170 N 0.52 1.22 0.18 0.00 -4.23 -0.24 -4.30 115.64 108.79 2jbw s THR 170 Ca -0.07 -1.47 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 2jbw s THR 170 Cb -0.11 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.53 2jbw s THR 170 CO 0.00 -0.29 0.96 0.72 -0.54 0.00 0.00 174.62 175.47 2jbw s PHE 171 N -1.59 -0.07 -0.19 3.99 -0.71 -1.26 -1.22 117.98 116.94 2jbw s PHE 171 Ca 0.02 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.64 2jbw s PHE 171 Cb -0.08 0.67 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 2jbw s PHE 171 CO 0.03 -0.92 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.29 2jbw s ASP 172 N -3.05 3.23 0.00 1.98 1.01 -1.26 -4.40 116.67 114.18 2jbw s ASP 172 Ca 0.15 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2jbw s ASP 172 Cb -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.44 2jbw s ASP 172 CO 0.04 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.01 2jbw n GLY 173 N 4.61 2.26 3.59 0.21 0.00 -1.26 -4.87 105.19 109.73 2jbw n GLY 173 Ca -0.20 -2.07 -0.56 0.00 0.00 0.00 0.00 46.02 43.20 2jbw n GLY 173 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jbw n PRO 174 N -0.28 0.77 -0.92 1.61 -0.02 -1.26 -0.76 135.00 134.14 2jbw n PRO 174 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jbw n PRO 174 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2jbw n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jbw n GLY 175 N 2.57 0.83 3.66 -1.23 0.00 0.11 -4.38 105.19 106.75 2jbw n GLY 175 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2jbw n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jbw s GLN 176 N -0.16 2.65 0.00 1.61 -0.21 0.06 -4.67 119.66 118.94 2jbw s GLN 176 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2jbw s GLN 176 Cb 0.00 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2jbw s GLN 176 CO 0.00 0.60 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2jbw n GLY 177 N 1.23 1.87 1.83 3.09 0.00 -1.26 -1.73 105.19 110.23 2jbw n GLY 177 Ca -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2jbw n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jbw n GLU 178 N 11.78 0.56 0.00 1.61 1.02 -1.26 -4.44 120.64 129.90 2jbw n GLU 178 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2jbw n GLU 178 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2jbw n GLU 178 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jbw n PHE 180 N 1.91 0.00 -0.12 -0.32 7.35 -0.71 -4.58 117.46 120.99 2jbw n PHE 180 Ca 0.03 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.81 2jbw n PHE 180 Cb 0.27 0.00 0.42 0.00 0.35 0.00 0.00 39.48 40.52 2jbw n PHE 180 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 2jbw h GLU 181 N 0.00 0.57 -0.07 -4.13 4.11 -1.89 -1.70 114.58 111.47 2jbw h GLU 181 Ca 0.00 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.22 2jbw h GLU 181 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2jbw h GLU 181 CO 0.00 0.38 -0.71 1.88 0.07 0.00 0.00 179.01 180.63 2jbw h TYR 182 N 0.59 0.44 -1.82 2.06 0.05 -1.96 -3.47 116.97 112.86 2jbw h TYR 182 Ca 0.29 -0.19 0.08 0.00 0.05 0.00 0.00 58.73 58.95 2jbw h TYR 182 Cb 0.36 -0.07 -0.21 0.00 1.01 0.00 0.00 36.73 37.81 2jbw h TYR 182 CO -0.00 0.93 -0.00 0.21 -1.05 0.00 0.00 178.16 178.24 2jbw s LYS 183 N -3.61 0.56 0.90 4.88 2.20 -0.64 -5.10 119.74 118.92 2jbw s LYS 183 Ca -0.05 1.24 -0.12 0.00 -0.36 0.00 0.00 55.97 56.68 2jbw s LYS 183 Cb 0.11 0.57 0.13 0.00 -1.51 0.00 0.00 37.83 37.13 2jbw s LYS 183 CO 0.83 -0.16 1.14 -0.98 -0.36 0.00 0.00 175.35 175.81 2jbw s ARG 184 N 2.41 1.26 0.36 4.03 1.70 -1.25 0.10 118.95 127.55 2jbw s ARG 184 Ca -0.07 0.31 -0.25 0.00 -0.47 0.00 0.00 55.73 55.25 2jbw s ARG 184 Cb -0.09 -1.85 -0.13 0.00 -0.57 0.00 0.00 34.95 32.31 2jbw s ARG 184 CO -0.19 -2.12 0.83 1.51 -1.08 0.00 0.00 175.30 174.25 2jbw n ILE 185 N -3.72 2.05 -4.18 4.99 3.06 -0.77 -3.64 119.36 117.16 2jbw n ILE 185 Ca 0.07 -0.50 -0.11 0.00 -2.50 0.00 0.00 62.75 59.71 2jbw n ILE 185 Cb 0.59 -0.82 -0.10 0.00 0.54 0.00 0.00 39.64 39.85 2jbw n ILE 185 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jbw s ALA 186 N -1.24 1.02 -2.37 1.51 0.00 -1.26 -4.88 121.76 114.54 2jbw s ALA 186 Ca 0.62 -1.57 0.23 0.00 0.00 0.00 0.00 51.96 51.24 2jbw s ALA 186 Cb -0.65 1.05 0.84 0.00 0.00 0.00 0.00 23.12 24.36 2jbw s ALA 186 CO 0.58 -0.52 1.61 0.41 0.00 0.00 0.00 175.76 177.84 2jbw n GLY 187 N -0.18 0.24 2.59 0.00 0.00 -1.26 -4.37 105.19 102.22 2jbw n GLY 187 Ca -0.03 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2jbw n GLY 187 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jbw n ASP 188 N 0.32 2.55 -0.04 1.61 5.75 -1.26 -4.89 116.55 120.59 2jbw n ASP 188 Ca 0.17 -2.84 0.17 0.00 -0.01 0.00 0.00 54.79 52.28 2jbw n ASP 188 Cb 0.35 -0.48 0.60 0.00 -1.03 0.00 0.00 41.12 40.56 2jbw n ASP 188 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2jbw h TYR 189 N 2.70 0.21 -0.31 2.11 5.03 -1.92 -2.07 116.97 122.72 2jbw h TYR 189 Ca 0.03 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.42 2jbw h TYR 189 Cb 1.21 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 2jbw h TYR 189 CO 0.61 0.09 0.22 1.05 -1.32 0.00 0.00 178.16 178.81 2jbw h GLU 190 N 0.19 0.04 -0.97 1.82 9.09 -1.88 0.21 114.58 123.09 2jbw h GLU 190 Ca 0.27 -0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.79 2jbw h GLU 190 Cb 0.81 -0.01 -0.08 0.00 -1.65 0.00 0.00 28.75 27.83 2jbw h GLU 190 CO -0.05 0.03 0.62 -0.22 0.05 0.00 0.00 179.01 179.44 2jbw h LYS 191 N 0.04 0.94 0.01 1.06 3.64 -1.79 0.17 116.57 120.64 2jbw h LYS 191 Ca 0.15 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2jbw h LYS 191 Cb 0.54 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jbw h LYS 191 CO -0.01 0.62 -0.33 1.88 -2.27 0.00 0.00 179.45 179.34 2jbw h TYR 192 N 0.97 0.32 -0.71 1.91 -1.99 -0.75 -1.50 116.97 115.22 2jbw h TYR 192 Ca 0.47 -0.18 0.08 0.00 2.00 0.00 0.00 58.73 61.10 2jbw h TYR 192 Cb 0.45 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.09 2jbw h TYR 192 CO -0.00 1.00 0.38 1.15 -0.00 0.00 0.00 178.16 180.69 2jbw h THR 193 N -0.46 0.91 -0.49 -2.88 2.02 -1.35 -2.31 112.91 108.35 2jbw h THR 193 Ca -0.04 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 2jbw h THR 193 Cb 1.10 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2jbw h THR 193 CO 0.06 0.12 0.06 0.28 0.37 0.00 0.00 175.52 176.42 2jbw h SER 194 N 0.67 0.74 -0.50 4.18 0.02 -0.62 -1.37 113.55 116.68 2jbw h SER 194 Ca 0.33 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2jbw h SER 194 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2jbw h SER 194 CO -0.22 0.77 0.32 0.00 -1.14 0.00 0.00 176.83 176.56 2jbw h ALA 195 N 1.32 1.63 -0.13 3.77 0.00 -0.72 0.15 119.26 125.27 2jbw h ALA 195 Ca 0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2jbw h ALA 195 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jbw h ALA 195 CO 0.01 0.34 -0.74 0.28 0.00 0.00 0.00 179.25 179.14 2jbw h VAL 196 N 0.68 1.32 -0.92 0.00 2.07 -1.08 -2.45 116.25 115.87 2jbw h VAL 196 Ca 0.18 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.70 2jbw h VAL 196 Cb -0.06 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 2jbw h VAL 196 CO -0.04 0.63 0.61 0.58 0.02 0.00 0.00 177.57 179.37 2jbw h VAL 197 N 0.44 1.21 0.00 2.57 2.07 -0.76 -1.14 116.25 120.65 2jbw h VAL 197 Ca -0.04 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2jbw h VAL 197 Cb 1.35 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2jbw h VAL 197 CO 0.14 0.22 -0.17 0.44 0.02 0.00 0.00 177.57 178.22 2jbw h ASP 198 N 1.22 0.00 0.01 0.57 3.32 -0.83 -1.67 116.42 119.05 2jbw h ASP 198 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2jbw h ASP 198 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2jbw h ASP 198 CO -0.09 0.17 -0.01 0.25 -1.72 0.00 0.00 179.24 177.85 2jbw h LEU 199 N 0.00 -0.02 -1.90 1.55 5.85 -0.93 -3.27 115.31 116.60 2jbw h LEU 199 Ca -0.00 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.08 2jbw h LEU 199 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jbw h LEU 199 CO 0.02 0.62 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.55 2jbw h LEU 200 N -0.66 0.00 -0.77 2.25 3.38 -1.02 -1.50 115.31 116.99 2jbw h LEU 200 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jbw h LEU 200 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jbw h LEU 200 CO 0.00 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.00 2jbw n THR 201 N -3.64 0.11 -0.40 0.22 -2.24 -0.65 -2.83 114.28 104.85 2jbw n THR 201 Ca -0.02 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2jbw n THR 201 Cb 0.24 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 2jbw n THR 201 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jbw n LYS 202 N -0.03 2.36 -3.79 -0.78 4.76 -0.59 -4.97 118.16 115.12 2jbw n LYS 202 Ca 0.17 -1.91 -0.37 0.00 -2.87 0.00 0.00 58.31 53.33 2jbw n LYS 202 Cb 0.26 -1.19 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 2jbw n LYS 202 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jbw s LEU 203 N -1.71 3.90 0.55 -0.35 1.43 -1.08 -4.99 118.68 116.44 2jbw s LEU 203 Ca 0.12 -0.89 0.25 0.00 -1.03 0.00 0.00 54.13 52.58 2jbw s LEU 203 Cb 0.11 -1.84 1.46 0.00 0.03 0.00 0.00 46.19 45.95 2jbw s LEU 203 CO 0.01 -0.23 2.05 1.05 0.23 0.00 0.00 176.35 179.47 2jbw h GLU 204 N 8.19 0.00 0.00 1.70 4.11 -1.93 -1.66 114.58 124.98 2jbw h GLU 204 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2jbw h GLU 204 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jbw h GLU 204 CO 0.60 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.68 2jbw n ALA 205 N -2.51 1.91 -3.11 1.06 0.00 -1.26 -4.64 120.51 111.97 2jbw n ALA 205 Ca 0.05 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2jbw n ALA 205 Cb 0.42 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 2jbw n ALA 205 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jbw s ILE 206 N -2.95 2.79 -0.31 0.00 1.09 -0.63 -0.82 121.20 120.37 2jbw s ILE 206 Ca 0.11 -0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 58.61 2jbw s ILE 206 Cb 0.13 -2.15 -0.01 0.00 -1.06 0.00 0.00 42.46 39.37 2jbw s ILE 206 CO 0.35 0.53 1.66 -0.13 -0.10 0.00 0.00 174.94 177.26 2jbw s ARG 207 N 0.33 3.53 0.56 2.79 0.52 0.37 -4.81 118.95 122.24 2jbw s ARG 207 Ca -0.13 1.40 0.25 0.00 -0.52 0.00 0.00 55.73 56.73 2jbw s ARG 207 Cb -0.16 -4.11 1.55 0.00 0.52 0.00 0.00 34.95 32.74 2jbw s ARG 207 CO 0.07 -1.62 2.14 -0.91 0.02 0.00 0.00 175.30 174.99 2jbw h ASN 208 N 11.77 0.00 -0.44 0.23 4.21 -1.89 -1.88 115.58 127.58 2jbw h ASN 208 Ca -0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2jbw h ASN 208 Cb 1.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2jbw h ASN 208 CO 1.03 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 176.27 2jbw n ASP 209 N -4.11 3.13 -2.84 5.81 5.75 -1.26 -4.41 116.55 118.62 2jbw n ASP 209 Ca 0.00 -1.95 -0.20 0.00 -0.01 0.00 0.00 54.79 52.63 2jbw n ASP 209 Cb 0.23 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 2jbw n ASP 209 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jbw n ALA 210 N 1.24 3.71 -3.59 2.12 0.00 -0.71 -4.84 120.51 118.44 2jbw n ALA 210 Ca 0.19 -3.86 -0.35 0.00 0.00 0.00 0.00 53.44 49.42 2jbw n ALA 210 Cb 0.53 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 2jbw n ALA 210 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jbw s ILE 211 N -3.80 3.16 0.43 0.00 1.01 -1.26 -1.17 121.20 119.57 2jbw s ILE 211 Ca 0.41 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2jbw s ILE 211 Cb 0.37 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2jbw s ILE 211 CO -0.09 0.34 0.23 -0.83 0.00 0.00 0.00 174.94 174.59 2jbw s GLY 212 N 1.42 2.32 -0.04 6.18 0.00 0.42 -0.84 107.32 116.78 2jbw s GLY 212 Ca 0.04 -1.97 0.04 0.00 0.00 0.00 0.00 44.72 42.83 2jbw s GLY 212 CO -0.04 -1.88 -0.16 0.54 0.00 0.00 0.00 173.10 171.57 2jbw s VAL 213 N -2.59 1.31 -0.14 1.40 0.11 0.02 -0.59 120.40 119.91 2jbw s VAL 213 Ca 0.41 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2jbw s VAL 213 Cb 0.02 -1.13 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2jbw s VAL 213 CO 0.23 0.38 -0.12 -0.22 -3.33 0.00 0.00 175.10 172.04 2jbw s LEU 214 N 0.07 1.54 0.04 2.54 0.20 0.97 -0.65 118.68 123.39 2jbw s LEU 214 Ca -0.04 -0.43 0.09 0.00 0.69 0.00 0.00 54.13 54.45 2jbw s LEU 214 Cb -0.11 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.55 2jbw s LEU 214 CO 0.02 -0.07 -0.26 -0.83 -0.29 0.00 0.00 176.35 174.91 2jbw s GLY 215 N 1.54 1.39 -0.13 7.98 0.00 -0.55 0.06 107.32 117.61 2jbw s GLY 215 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2jbw s GLY 215 CO -0.10 -1.14 -0.14 -1.60 0.00 0.00 0.00 173.10 170.13 2jbw s ARG 216 N -1.20 3.34 7.32 2.90 3.52 -1.03 -0.78 118.95 133.03 2jbw s ARG 216 Ca 0.12 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2jbw s ARG 216 Cb -0.10 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2jbw s ARG 216 CO 0.02 0.17 0.00 0.43 -0.81 0.00 0.00 175.30 175.11 2jbw n SER 217 N 3.64 0.00 -0.26 -2.12 7.64 0.46 0.30 113.62 123.28 2jbw n SER 217 Ca -0.18 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.89 2jbw n SER 217 Cb 0.53 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 64.23 2jbw n SER 217 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2jbw h LEU 218 N 0.00 0.43 -2.55 -3.43 5.85 -1.86 0.64 115.31 114.39 2jbw h LEU 218 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jbw h LEU 218 Cb 0.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jbw h LEU 218 CO 0.00 0.16 -0.01 1.23 -0.34 0.00 0.00 178.44 179.48 2jbw h GLY 219 N 0.42 0.00 1.32 3.75 0.00 0.15 -0.51 103.07 108.20 2jbw h GLY 219 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 2jbw h GLY 219 CO -0.20 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 174.85 2jbw h GLY 220 N 0.50 0.86 0.87 4.60 0.00 -0.82 0.11 103.07 109.18 2jbw h GLY 220 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2jbw h GLY 220 CO 0.00 0.63 0.06 -0.57 0.00 0.00 0.00 176.54 176.66 2jbw h ASN 221 N 0.71 0.33 -0.60 0.19 -0.73 -1.17 -2.69 115.58 111.63 2jbw h ASN 221 Ca 0.11 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.05 2jbw h ASN 221 Cb 0.65 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 2jbw h ASN 221 CO 0.05 0.46 0.32 1.88 -0.37 0.00 0.00 177.43 179.77 2jbw h TYR 222 N 0.19 0.84 -0.36 0.67 0.05 -1.15 -1.62 116.97 115.59 2jbw h TYR 222 Ca 0.07 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2jbw h TYR 222 Cb 0.25 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 2jbw h TYR 222 CO 0.01 0.60 0.13 0.00 -1.05 0.00 0.00 178.16 177.85 2jbw h ALA 223 N 1.49 0.47 -0.25 3.88 0.00 -0.74 0.17 119.26 124.29 2jbw h ALA 223 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jbw h ALA 223 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jbw h ALA 223 CO -0.03 0.09 0.14 -0.07 0.00 0.00 0.00 179.25 179.38 2jbw h LEU 224 N 0.44 0.31 -0.56 0.00 3.38 -1.25 -1.14 115.31 116.49 2jbw h LEU 224 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jbw h LEU 224 Cb 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jbw h LEU 224 CO -0.01 0.29 0.26 0.50 0.09 0.00 0.00 178.44 179.57 2jbw h LYS 225 N 0.30 0.81 -0.03 1.13 1.63 -1.25 0.15 116.57 119.30 2jbw h LYS 225 Ca 0.09 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2jbw h LYS 225 Cb 0.05 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 2jbw h LYS 225 CO -0.02 0.67 0.01 0.77 -3.45 0.00 0.00 179.45 177.44 2jbw h SER 226 N 0.75 0.05 -0.68 4.20 0.02 -0.39 -2.55 113.55 114.95 2jbw h SER 226 Ca 0.19 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2jbw h SER 226 Cb 0.14 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2jbw h SER 226 CO -0.02 0.22 0.45 0.00 -1.14 0.00 0.00 176.83 176.34 2jbw h ALA 227 N 0.82 0.87 -0.38 3.77 0.00 -1.15 0.82 119.26 124.01 2jbw h ALA 227 Ca 0.01 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2jbw h ALA 227 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jbw h ALA 227 CO -0.00 0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.89 2jbw h ALA 228 N 1.25 2.17 -0.00 0.00 0.00 -0.87 -3.16 119.26 118.65 2jbw h ALA 228 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jbw h ALA 228 Cb -0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jbw h ALA 228 CO -0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 2jbw s GLU 230 N -0.39 0.89 0.47 0.00 2.56 0.21 -4.99 118.70 117.44 2jbw s GLU 230 Ca 0.03 -1.53 0.32 0.00 0.00 0.00 0.00 54.97 53.78 2jbw s GLU 230 Cb 0.02 -1.90 1.42 0.00 2.00 0.00 0.00 34.13 35.68 2jbw s GLU 230 CO 0.04 -1.13 1.94 -1.00 -0.56 0.00 0.00 175.26 174.55 2jbw h PRO 231 N 7.19 0.00 0.00 4.30 0.13 -1.87 -2.40 132.00 139.36 2jbw h PRO 231 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2jbw h PRO 231 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2jbw h PRO 231 CO 0.41 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.18 2jbw h ARG 232 N 0.00 0.00 -6.72 0.86 3.08 -1.94 -3.44 114.38 106.22 2jbw h ARG 232 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2jbw h ARG 232 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 2jbw h ARG 232 CO 0.00 0.00 0.60 -0.51 -1.07 0.00 0.00 179.97 178.99 2jbw s LEU 233 N -5.20 4.45 0.00 3.04 1.43 -0.90 -4.67 118.68 116.82 2jbw s LEU 233 Ca -0.00 2.37 0.17 0.00 -1.03 0.00 0.00 54.13 55.64 2jbw s LEU 233 Cb 0.09 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2jbw s LEU 233 CO 0.37 -0.43 0.80 0.00 0.23 0.00 0.00 176.35 177.33 2jbw n ALA 234 N 2.14 3.79 -3.53 4.21 0.00 -0.02 -4.65 120.51 122.45 2jbw n ALA 234 Ca 0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2jbw n ALA 234 Cb 0.43 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2jbw n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbw s ALA 235 N -2.35 -1.83 -0.09 0.00 0.00 -1.26 -4.22 121.76 112.01 2jbw s ALA 235 Ca 0.10 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.29 2jbw s ALA 235 Cb 0.13 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.21 2jbw s ALA 235 CO 0.58 -0.47 0.17 0.00 0.00 0.00 0.00 175.76 176.05 2jbw s ILE 237 N 1.95 2.39 -0.38 0.00 1.01 0.18 -0.87 121.20 125.46 2jbw s ILE 237 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2jbw s ILE 237 Cb -0.12 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.44 2jbw s ILE 237 CO -0.06 0.54 0.21 -0.55 0.00 0.00 0.00 174.94 175.08 2jbw s SER 238 N 0.46 5.70 -0.40 3.58 0.15 -0.38 -1.48 113.70 121.32 2jbw s SER 238 Ca -0.14 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 55.33 2jbw s SER 238 Cb -0.17 -2.01 0.08 0.00 -1.71 0.00 0.00 66.02 62.21 2jbw s SER 238 CO 0.06 -0.42 0.21 0.86 1.20 0.00 0.00 173.24 175.14 2jbw s TRP 239 N 1.52 3.37 -1.17 3.44 -0.00 0.04 -1.56 118.94 124.58 2jbw s TRP 239 Ca 0.02 -1.74 0.00 0.00 -0.00 0.00 0.00 56.10 54.38 2jbw s TRP 239 Cb -0.20 -2.86 0.00 0.00 -0.00 0.00 0.00 33.47 30.41 2jbw s TRP 239 CO 0.06 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.56 2jbw n GLY 240 N 4.81 0.30 0.00 5.86 0.00 -0.80 -0.40 105.19 114.96 2jbw n GLY 240 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2jbw n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jbw n GLY 241 N -1.13 -0.38 3.47 -0.02 0.00 -1.24 -3.87 105.19 102.03 2jbw n GLY 241 Ca -0.14 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2jbw n GLY 241 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jbw s PHE 242 N -0.40 -0.45 -0.10 1.61 -0.12 -1.26 -4.89 117.98 112.37 2jbw s PHE 242 Ca 0.00 0.25 0.19 0.00 -0.05 0.00 0.00 56.93 57.33 2jbw s PHE 242 Cb 0.00 0.56 -0.29 0.00 -0.63 0.00 0.00 43.02 42.66 2jbw s PHE 242 CO 0.00 -0.76 0.29 -1.13 -0.05 0.00 0.00 175.22 173.58 2jbw n SER 243 N -0.34 0.23 -3.68 1.98 3.41 -1.26 -4.09 113.62 109.87 2jbw n SER 243 Ca -0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 2jbw n SER 243 Cb 0.64 1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 66.11 2jbw n SER 243 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2jbw s ASP 244 N -4.82 -0.24 -0.42 4.04 1.47 -1.26 -1.82 116.67 113.63 2jbw s ASP 244 Ca -0.08 -0.28 0.05 0.00 1.18 0.00 0.00 52.55 53.41 2jbw s ASP 244 Cb 0.10 0.46 0.56 0.00 -0.34 0.00 0.00 42.92 43.70 2jbw s ASP 244 CO 0.84 -0.83 1.72 0.18 0.68 0.00 0.00 175.17 177.75 2jbw n LEU 245 N -0.41 5.79 -0.26 2.11 7.99 -1.26 -4.58 117.00 126.39 2jbw n LEU 245 Ca -0.07 -3.88 0.16 0.00 -0.01 0.00 0.00 56.01 52.21 2jbw n LEU 245 Cb 0.61 -0.75 0.45 0.00 -0.11 0.00 0.00 43.42 43.62 2jbw n LEU 245 CO 0.13 1.29 1.22 0.44 -1.51 0.00 0.00 177.39 178.95 2jbw h ASP 246 N 1.25 0.52 0.00 -1.43 5.19 -1.97 -2.36 116.42 117.62 2jbw h ASP 246 Ca 0.46 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2jbw h ASP 246 Cb 1.99 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.45 2jbw h ASP 246 CO 0.90 0.22 0.00 0.00 -3.12 0.00 0.00 179.24 177.24 2jbw n TYR 247 N -4.56 0.00 -0.33 4.55 4.11 -1.26 -4.55 117.16 115.12 2jbw n TYR 247 Ca 0.19 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.17 2jbw n TYR 247 Cb 0.62 -0.01 0.17 0.00 -0.00 0.00 0.00 39.34 40.12 2jbw n TYR 247 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.86 179.21 2jbw h TRP 248 N 0.00 -0.33 -0.18 -3.48 2.91 -1.79 0.45 115.95 113.53 2jbw h TRP 248 Ca 0.00 0.08 0.05 0.00 1.13 0.00 0.00 58.89 60.15 2jbw h TRP 248 Cb 0.05 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 2jbw h TRP 248 CO 0.00 -0.39 0.14 -0.44 -1.03 0.00 0.00 178.44 176.72 2jbw h ASP 249 N 0.01 0.00 1.03 2.65 3.32 -1.88 -1.19 116.42 120.37 2jbw h ASP 249 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2jbw h ASP 249 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2jbw h ASP 249 CO -0.92 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 176.78 2jbw n LEU 250 N -4.32 0.27 -4.76 1.55 4.77 0.15 -4.83 117.00 109.83 2jbw n LEU 250 Ca 0.01 0.53 -0.40 0.00 -0.03 0.00 0.00 56.01 56.13 2jbw n LEU 250 Cb 0.27 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2jbw n LEU 250 CO 0.33 -0.13 1.07 -0.62 -1.33 0.00 0.00 177.39 176.71 2jbw n GLU 251 N -1.76 2.20 -1.24 3.23 -0.58 -0.45 -4.91 120.64 117.12 2jbw n GLU 251 Ca 0.06 0.78 -0.35 0.00 -0.42 0.00 0.00 57.16 57.24 2jbw n GLU 251 Cb 0.33 -2.63 0.11 0.00 -0.57 0.00 0.00 31.44 28.67 2jbw n GLU 251 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2jbw n THR 252 N -0.31 2.42 -0.29 2.62 -2.24 -1.26 -4.82 114.28 110.40 2jbw n THR 252 Ca 0.06 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2jbw n THR 252 Cb 0.42 -1.13 0.29 0.00 -2.10 0.00 0.00 70.33 67.81 2jbw n THR 252 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jbw h PRO 253 N -0.57 0.87 -0.29 -0.78 0.11 -1.95 -1.61 132.00 127.78 2jbw h PRO 253 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2jbw h PRO 253 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jbw h PRO 253 CO 0.46 0.58 0.16 1.25 -0.21 0.00 0.00 178.00 180.24 2jbw h LEU 254 N 0.90 0.36 -1.46 2.35 5.85 -2.00 -1.67 115.31 119.63 2jbw h LEU 254 Ca 0.42 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2jbw h LEU 254 Cb 0.41 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2jbw h LEU 254 CO -0.18 0.34 0.39 0.74 -0.34 0.00 0.00 178.44 179.39 2jbw h THR 255 N 0.35 1.09 -0.20 1.05 2.02 -1.79 -1.55 112.91 113.88 2jbw h THR 255 Ca 0.10 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2jbw h THR 255 Cb 0.06 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2jbw h THR 255 CO -0.02 0.13 -0.54 0.11 0.37 0.00 0.00 175.52 175.57 2jbw h LYS 256 N 0.71 0.59 -0.49 6.66 1.57 -0.78 -0.96 116.57 123.87 2jbw h LYS 256 Ca 0.23 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2jbw h LYS 256 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jbw h LYS 256 CO -0.06 0.98 0.06 0.93 -0.57 0.00 0.00 179.45 180.79 2jbw h GLU 257 N 0.45 0.77 -0.50 3.15 4.39 -0.64 -1.92 114.58 120.28 2jbw h GLU 257 Ca 0.01 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 2jbw h GLU 257 Cb 1.09 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2jbw h GLU 257 CO 0.10 0.73 0.21 0.77 -1.16 0.00 0.00 179.01 179.67 2jbw h SER 258 N 0.73 0.69 -0.60 1.42 0.02 -0.72 0.33 113.55 115.42 2jbw h SER 258 Ca 0.15 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2jbw h SER 258 Cb 0.36 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2jbw h SER 258 CO 0.01 0.66 0.12 -0.50 -1.14 0.00 0.00 176.83 175.97 2jbw h TRP 259 N 0.67 1.06 -0.29 3.45 -0.00 -0.98 -1.34 115.95 118.52 2jbw h TRP 259 Ca 0.17 -0.13 -0.14 0.00 -0.00 0.00 0.00 58.89 58.79 2jbw h TRP 259 Cb 0.17 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 2jbw h TRP 259 CO 0.00 0.89 -0.39 -0.22 -0.00 0.00 0.00 178.44 178.72 2jbw h LYS 260 N 0.95 0.68 0.11 0.49 3.64 -1.09 -1.92 116.57 119.44 2jbw h LYS 260 Ca 0.20 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2jbw h LYS 260 Cb 0.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2jbw h LYS 260 CO 0.01 0.95 -0.05 -0.92 -2.27 0.00 0.00 179.45 177.17 2jbw h TYR 261 N 0.56 -0.14 0.00 1.91 3.20 -0.46 -2.51 116.97 119.53 2jbw h TYR 261 Ca 0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2jbw h TYR 261 Cb 0.92 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2jbw h TYR 261 CO 0.04 0.02 -0.08 -0.39 -1.64 0.00 0.00 178.16 176.11 2jbw h VAL 262 N -0.28 0.24 0.00 1.81 -1.51 -1.21 -2.03 116.25 113.27 2jbw h VAL 262 Ca -0.02 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2jbw h VAL 262 Cb 0.23 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2jbw h VAL 262 CO 0.03 0.08 -0.14 -1.20 -1.23 0.00 0.00 177.57 175.11 2jbw n SER 263 N -3.25 0.25 -3.53 4.19 7.64 -0.73 -1.85 113.62 116.34 2jbw n SER 263 Ca -0.00 0.33 -0.25 0.00 1.01 0.00 0.00 58.87 59.97 2jbw n SER 263 Cb 0.32 -0.35 0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2jbw n SER 263 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jbw n LYS 264 N -1.63 -6.79 -4.30 1.43 5.02 -0.76 -4.89 118.16 106.24 2jbw n LYS 264 Ca 0.06 0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 56.86 2jbw n LYS 264 Cb 0.36 -5.78 -0.05 0.00 -0.02 0.00 0.00 35.03 29.54 2jbw n LYS 264 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jbw s VAL 265 N -3.27 1.63 -0.11 -0.18 -7.23 -1.16 -5.07 120.40 105.00 2jbw s VAL 265 Ca 0.54 -1.75 0.20 0.00 -1.81 0.00 0.00 61.98 59.16 2jbw s VAL 265 Cb -0.25 -2.38 -0.29 0.00 0.56 0.00 0.00 36.38 34.02 2jbw s VAL 265 CO 0.67 0.00 0.30 0.47 -0.31 0.00 0.00 175.10 176.23 2jbw n ASP 266 N -1.42 0.02 -4.27 4.85 8.00 -1.26 -4.81 116.55 117.65 2jbw n ASP 266 Ca -0.08 0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 2jbw n ASP 266 Cb 0.65 1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 43.17 2jbw n ASP 266 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jbw s THR 267 N -3.04 1.20 0.33 -3.53 -4.23 -1.26 -5.04 115.64 100.06 2jbw s THR 267 Ca -0.09 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.40 2jbw s THR 267 Cb 0.10 -1.95 0.12 0.00 1.34 0.00 0.00 72.50 72.11 2jbw s THR 267 CO 0.87 -0.66 1.82 -0.07 -0.54 0.00 0.00 174.62 176.04 2jbw h LEU 268 N 2.71 0.40 -0.50 4.79 3.38 -1.94 -1.34 115.31 122.81 2jbw h LEU 268 Ca -0.37 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 2jbw h LEU 268 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2jbw h LEU 268 CO 0.64 0.58 -0.55 -0.33 0.09 0.00 0.00 178.44 178.87 2jbw h GLU 269 N 0.39 0.58 -0.72 1.13 4.39 -1.99 -0.46 114.58 117.91 2jbw h GLU 269 Ca 0.07 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.46 2jbw h GLU 269 Cb 0.49 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2jbw h GLU 269 CO 0.03 0.98 0.42 0.93 -1.16 0.00 0.00 179.01 180.21 2jbw h GLU 270 N 0.45 0.77 -0.28 2.33 5.08 -1.90 -1.79 114.58 119.24 2jbw h GLU 270 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jbw h GLU 270 Cb 1.10 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2jbw h GLU 270 CO 0.10 0.51 0.10 0.00 -1.00 0.00 0.00 179.01 178.72 2jbw h ALA 271 N 1.35 0.36 -0.32 3.43 0.00 -1.02 -1.71 119.26 121.35 2jbw h ALA 271 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jbw h ALA 271 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jbw h ALA 271 CO -0.16 -0.03 0.19 -0.09 0.00 0.00 0.00 179.25 179.16 2jbw h ARG 272 N 0.29 0.43 -0.18 0.00 2.43 -0.95 -0.85 114.38 115.56 2jbw h ARG 272 Ca 0.09 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2jbw h ARG 272 Cb 0.20 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2jbw h ARG 272 CO -0.01 0.34 0.01 1.25 -1.51 0.00 0.00 179.97 180.06 2jbw h LEU 273 N 0.41 -0.04 0.48 3.80 6.46 -1.23 -0.14 115.31 125.04 2jbw h LEU 273 Ca 0.11 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2jbw h LEU 273 Cb 0.02 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2jbw h LEU 273 CO -0.02 0.01 -0.23 -0.74 -0.62 0.00 0.00 178.44 176.84 2jbw h HIS 274 N 0.08 -0.59 -0.62 1.25 2.76 -0.94 -3.10 115.15 113.98 2jbw h HIS 274 Ca 0.08 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2jbw h HIS 274 Cb 0.09 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2jbw h HIS 274 CO -0.15 -0.31 0.18 0.28 -1.30 0.00 0.00 177.93 176.63 2jbw h VAL 275 N -0.77 1.25 -0.30 5.26 2.07 -1.11 -0.42 116.25 122.22 2jbw h VAL 275 Ca -0.07 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2jbw h VAL 275 Cb 0.55 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2jbw h VAL 275 CO 0.11 0.33 0.19 -0.74 0.02 0.00 0.00 177.57 177.47 2jbw h HIS 276 N 0.90 0.36 -0.16 1.57 6.17 -1.06 0.21 115.15 123.13 2jbw h HIS 276 Ca 0.20 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 2jbw h HIS 276 Cb 0.31 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.12 2jbw h HIS 276 CO 0.02 0.22 0.01 0.00 0.71 0.00 0.00 177.93 178.89 2jbw h ALA 277 N 1.12 0.22 -0.63 5.26 0.00 -1.44 -2.82 119.26 120.97 2jbw h ALA 277 Ca 0.11 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jbw h ALA 277 Cb -0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2jbw h ALA 277 CO -0.04 -0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.40 2jbw h ALA 278 N 0.78 0.83 -0.67 0.00 0.00 -0.80 -3.24 119.26 116.16 2jbw h ALA 278 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jbw h ALA 278 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jbw h ALA 278 CO 0.01 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.41 2jbw n LEU 279 N -4.93 3.88 -4.73 0.00 4.77 0.04 -4.15 117.00 111.87 2jbw n LEU 279 Ca 0.09 -1.89 -0.42 0.00 -0.03 0.00 0.00 56.01 53.76 2jbw n LEU 279 Cb 0.25 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2jbw n LEU 279 CO 0.24 0.94 1.14 -0.70 -1.33 0.00 0.00 177.39 177.68 2jbw s GLU 280 N -1.11 4.26 0.00 3.23 2.56 -1.07 -4.39 118.70 122.18 2jbw s GLU 280 Ca 0.47 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.71 2jbw s GLU 280 Cb 0.25 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 33.22 2jbw s GLU 280 CO 0.33 -0.49 0.00 0.25 -0.56 0.00 0.00 175.26 174.79 2jbw n THR 281 N 3.37 0.00 0.26 -1.70 -2.24 -0.76 -4.86 114.28 108.35 2jbw n THR 281 Ca 0.11 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2jbw n THR 281 Cb 0.40 0.95 0.68 0.00 -2.10 0.00 0.00 70.33 70.26 2jbw n THR 281 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2jbw h ARG 282 N 0.00 0.00 0.00 -0.78 3.08 -1.90 0.26 114.38 115.04 2jbw h ARG 282 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jbw h ARG 282 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jbw h ARG 282 CO 0.00 0.13 0.00 0.38 -1.07 0.00 0.00 179.97 179.41 2jbw h ASP 283 N 0.00 0.00 -0.00 7.04 2.03 -1.96 -3.35 116.42 120.18 2jbw h ASP 283 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jbw h ASP 283 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2jbw h ASP 283 CO 0.02 0.00 -0.02 1.33 -1.03 0.00 0.00 179.24 179.54 2jbw n VAL 284 N -2.60 0.00 -0.32 4.15 0.24 0.86 -4.76 118.33 115.90 2jbw n VAL 284 Ca 0.02 -0.49 0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2jbw n VAL 284 Cb 0.31 1.00 0.37 0.00 -1.47 0.00 0.00 33.84 34.06 2jbw n VAL 284 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2jbw h LEU 285 N 0.00 0.68 -1.94 1.34 3.38 -1.50 -0.63 115.31 116.64 2jbw h LEU 285 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jbw h LEU 285 Cb 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jbw h LEU 285 CO 0.00 0.27 0.00 0.77 0.09 0.00 0.00 178.44 179.57 2jbw h SER 286 N 0.68 0.00 0.84 -0.43 4.64 -1.81 -2.85 113.55 114.61 2jbw h SER 286 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2jbw h SER 286 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2jbw h SER 286 CO -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.53 2jbw n GLN 287 N -2.83 0.03 -1.76 4.77 6.02 -0.24 -4.71 117.38 118.65 2jbw n GLN 287 Ca -0.01 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 2jbw n GLN 287 Cb 0.16 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 2jbw n GLN 287 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jbw s ILE 288 N -2.98 2.10 -0.07 5.09 1.01 -1.08 -4.82 121.20 120.46 2jbw s ILE 288 Ca 0.14 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.97 2jbw s ILE 288 Cb 0.19 -3.05 0.16 0.00 0.01 0.00 0.00 42.46 39.77 2jbw s ILE 288 CO 0.57 0.01 1.06 0.00 0.00 0.00 0.00 174.94 176.58 2jbw n ALA 289 N 3.64 2.10 -2.33 9.38 0.00 -1.26 -4.72 120.51 127.32 2jbw n ALA 289 Ca 0.14 -1.88 -0.13 0.00 0.00 0.00 0.00 53.44 51.57 2jbw n ALA 289 Cb 0.36 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 2jbw n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbw n PRO 291 N 0.17 1.55 -3.83 0.00 -0.02 -1.26 -4.80 135.00 126.81 2jbw n PRO 291 Ca -0.13 0.54 -0.17 0.00 -2.02 0.00 0.00 63.50 61.72 2jbw n PRO 291 Cb 0.59 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.92 2jbw n PRO 291 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jbw s THR 292 N -0.94 0.07 -0.09 3.45 2.01 -0.15 -1.56 115.64 118.44 2jbw s THR 292 Ca 0.60 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.81 2jbw s THR 292 Cb -0.68 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2jbw s THR 292 CO 0.59 0.14 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.97 2jbw s TYR 293 N 1.23 2.58 -0.20 4.92 6.14 -0.05 -0.54 117.35 131.43 2jbw s TYR 293 Ca -0.07 -0.83 -0.00 0.00 0.64 0.00 0.00 57.07 56.81 2jbw s TYR 293 Cb -0.13 -1.70 0.05 0.00 0.42 0.00 0.00 41.96 40.60 2jbw s TYR 293 CO -0.02 -0.29 -0.04 0.42 0.64 0.00 0.00 175.55 176.25 2jbw s ILE 294 N 0.14 1.20 -0.29 3.14 1.01 0.10 -1.25 121.20 125.24 2jbw s ILE 294 Ca -0.11 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2jbw s ILE 294 Cb -0.16 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 2jbw s ILE 294 CO 0.06 0.00 0.12 -0.22 0.00 0.00 0.00 174.94 174.90 2jbw s LEU 295 N 1.57 3.89 -0.08 2.97 2.96 -0.60 -0.40 118.68 128.99 2jbw s LEU 295 Ca -0.02 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2jbw s LEU 295 Cb -0.17 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 2jbw s LEU 295 CO -0.07 -0.15 -0.23 -2.28 -1.32 0.00 0.00 176.35 172.30 2jbw s HIS 296 N 1.60 2.37 -0.22 5.38 5.65 -0.13 -1.90 115.29 128.03 2jbw s HIS 296 Ca 0.05 -0.84 -0.09 0.00 0.25 0.00 0.00 55.06 54.43 2jbw s HIS 296 Cb -0.17 -1.58 -0.04 0.00 -1.18 0.00 0.00 32.58 29.62 2jbw s HIS 296 CO 0.05 -0.31 0.10 0.20 -0.65 0.00 0.00 174.74 174.13 2jbw s GLY 297 N 0.13 1.91 0.32 1.59 0.00 -1.26 -0.72 107.32 109.29 2jbw s GLY 297 Ca -0.11 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2jbw s GLY 297 CO 0.06 0.26 1.82 -2.08 0.00 0.00 0.00 173.10 173.16 2jbw h VAL 298 N 5.04 0.78 -0.30 1.40 2.07 -0.35 -2.44 116.25 122.45 2jbw h VAL 298 Ca -0.37 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jbw h VAL 298 Cb 1.17 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2jbw h VAL 298 CO 0.66 0.14 0.00 1.41 0.02 0.00 0.00 177.57 179.80 2jbw n HIS 299 N -4.66 0.94 -1.80 1.57 8.25 0.57 -4.88 115.22 115.21 2jbw n HIS 299 Ca 0.21 -0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 57.00 2jbw n HIS 299 Cb 0.52 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 31.42 2jbw n HIS 299 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2jbw s ASP 300 N -0.50 5.32 0.45 0.41 -1.08 -0.92 -4.51 116.67 115.84 2jbw s ASP 300 Ca 0.27 1.89 0.15 0.00 -0.52 0.00 0.00 52.55 54.33 2jbw s ASP 300 Cb 0.19 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 40.14 2jbw s ASP 300 CO 0.10 -1.48 2.00 -0.33 0.52 0.00 0.00 175.17 175.97 2jbw h GLU 301 N 0.01 0.00 -6.33 4.34 3.07 -1.90 -3.41 114.58 110.36 2jbw h GLU 301 Ca -0.46 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.86 2jbw h GLU 301 Cb 1.23 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 2jbw h GLU 301 CO 0.55 0.18 1.17 0.08 -1.40 0.00 0.00 179.01 179.59 2jbw s VAL 302 N -4.61 3.22 0.78 3.13 1.01 -1.26 -4.82 120.40 117.85 2jbw s VAL 302 Ca -0.04 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2jbw s VAL 302 Cb 0.16 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.43 2jbw s VAL 302 CO 0.69 -0.03 1.12 -2.16 0.00 0.00 0.00 175.10 174.73 2jbw s PRO 303 N 4.21 1.96 0.54 2.72 0.04 -1.26 -4.93 135.00 138.28 2jbw s PRO 303 Ca 0.82 -0.10 0.31 0.00 0.04 0.00 0.00 61.00 62.07 2jbw s PRO 303 Cb -0.39 -2.04 1.55 0.00 0.04 0.00 0.00 34.50 33.66 2jbw s PRO 303 CO 0.37 -1.51 2.09 -0.07 0.04 0.00 0.00 177.00 177.91 2jbw h LEU 304 N -0.91 0.00 -2.20 -3.56 3.38 -1.92 -1.51 115.31 108.59 2jbw h LEU 304 Ca -0.45 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.57 2jbw h LEU 304 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2jbw h LEU 304 CO 0.61 0.09 0.26 0.77 0.09 0.00 0.00 178.44 180.26 2jbw h SER 305 N 0.00 0.00 -0.56 -0.43 4.64 -1.99 0.30 113.55 115.50 2jbw h SER 305 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jbw h SER 305 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2jbw h SER 305 CO 0.01 0.00 0.33 0.15 -0.87 0.00 0.00 176.83 176.45 2jbw h PHE 306 N 0.00 0.75 -0.10 4.77 3.57 -1.63 0.25 116.94 124.56 2jbw h PHE 306 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2jbw h PHE 306 Cb 0.60 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2jbw h PHE 306 CO 0.00 0.53 0.05 0.28 -2.23 0.00 0.00 178.31 176.94 2jbw h VAL 307 N 0.76 1.10 -0.50 1.41 2.07 -1.13 0.47 116.25 120.43 2jbw h VAL 307 Ca 0.20 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2jbw h VAL 307 Cb 0.01 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 2jbw h VAL 307 CO -0.04 0.09 -0.10 0.44 0.02 0.00 0.00 177.57 177.99 2jbw h ASP 308 N 0.05 -0.41 -0.78 0.57 3.32 -1.26 -0.33 116.42 117.58 2jbw h ASP 308 Ca 0.03 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2jbw h ASP 308 Cb 0.10 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2jbw h ASP 308 CO -0.00 -0.15 0.46 0.74 -1.72 0.00 0.00 179.24 178.57 2jbw h THR 309 N 0.02 1.22 0.04 0.35 2.02 0.24 -0.34 112.91 116.47 2jbw h THR 309 Ca 0.24 -0.50 -0.23 0.00 0.77 0.00 0.00 66.41 66.69 2jbw h THR 309 Cb 0.37 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2jbw h THR 309 CO -0.49 0.23 -1.02 0.58 0.37 0.00 0.00 175.52 175.20 2jbw h VAL 310 N 1.08 1.44 -0.66 3.16 2.07 -0.47 -1.95 116.25 120.93 2jbw h VAL 310 Ca 0.28 -2.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 2jbw h VAL 310 Cb -0.03 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2jbw h VAL 310 CO -0.05 0.78 0.15 -0.07 0.02 0.00 0.00 177.57 178.39 2jbw h LEU 311 N 0.17 0.99 -0.41 2.57 3.38 -0.63 -1.53 115.31 119.84 2jbw h LEU 311 Ca -0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2jbw h LEU 311 Cb 1.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2jbw h LEU 311 CO 0.17 0.96 0.14 -0.08 0.09 0.00 0.00 178.44 179.72 2jbw h GLU 312 N 0.99 0.64 0.00 1.13 4.81 -0.92 -3.40 114.58 117.83 2jbw h GLU 312 Ca 0.21 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2jbw h GLU 312 Cb 0.37 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2jbw h GLU 312 CO 0.00 0.62 -1.36 1.28 -0.73 0.00 0.00 179.01 178.82 2jbw n LEU 313 N -4.60 0.00 -4.72 1.64 4.77 -0.75 -4.96 117.00 108.39 2jbw n LEU 313 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2jbw n LEU 313 Cb 0.17 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2jbw n LEU 313 CO 0.38 0.08 0.69 -0.69 -1.33 0.00 0.00 177.39 176.52 2jbw s VAL 314 N -2.28 4.72 0.11 4.08 1.01 -0.58 -2.94 120.40 124.52 2jbw s VAL 314 Ca -0.03 2.03 -0.34 0.00 0.00 0.00 0.00 61.98 63.64 2jbw s VAL 314 Cb 0.03 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2jbw s VAL 314 CO 0.26 0.20 1.59 -2.65 0.00 0.00 0.00 175.10 174.50 2jbw n PRO 315 N 3.56 2.01 0.28 2.72 -0.02 -1.26 -4.81 135.00 137.47 2jbw n PRO 315 Ca 0.05 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 2jbw n PRO 315 Cb 0.50 -2.49 0.80 0.00 -0.02 0.00 0.00 33.50 32.29 2jbw n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jbw h ALA 316 N 6.21 1.24 0.00 3.55 0.00 -1.92 -1.13 119.26 127.20 2jbw h ALA 316 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jbw h ALA 316 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jbw h ALA 316 CO 0.88 0.11 0.00 1.05 0.00 0.00 0.00 179.25 181.29 2jbw h GLU 317 N 0.00 0.00 0.00 0.00 4.11 -1.98 -3.22 114.58 113.49 2jbw h GLU 317 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jbw h GLU 317 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jbw h GLU 317 CO 0.01 0.00 -1.33 0.72 0.07 0.00 0.00 179.01 178.48 2jbw n HIS 318 N -3.02 0.00 -2.99 2.06 8.25 -0.45 -4.48 115.22 114.59 2jbw n HIS 318 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2jbw n HIS 318 Cb 0.39 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 2jbw n HIS 318 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jbw s LEU 319 N -3.54 4.14 -0.38 2.41 2.96 -1.11 -0.97 118.68 122.19 2jbw s LEU 319 Ca 0.01 1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 54.83 2jbw s LEU 319 Cb 0.13 -3.07 0.06 0.00 0.50 0.00 0.00 46.19 43.81 2jbw s LEU 319 CO 0.77 -0.37 0.19 0.20 -1.32 0.00 0.00 176.35 175.83 2jbw s ASN 320 N 1.22 5.52 -0.18 3.68 -0.87 0.30 -1.89 114.94 122.71 2jbw s ASN 320 Ca 0.33 -1.31 -0.10 0.00 -1.57 0.00 0.00 52.86 50.21 2jbw s ASN 320 Cb -0.16 -1.94 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 2jbw s ASN 320 CO 0.11 -0.44 0.16 -0.22 -2.57 0.00 0.00 177.10 174.14 2jbw s LEU 321 N 1.42 4.24 -0.17 0.60 0.20 -0.15 -0.72 118.68 124.09 2jbw s LEU 321 Ca 0.01 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.15 2jbw s LEU 321 Cb -0.21 -2.15 0.04 0.00 -0.43 0.00 0.00 46.19 43.44 2jbw s LEU 321 CO 0.03 0.19 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.50 2jbw s VAL 322 N 0.23 1.35 -0.19 1.68 1.01 0.46 -0.41 120.40 124.54 2jbw s VAL 322 Ca 0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2jbw s VAL 322 Cb -0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2jbw s VAL 322 CO -0.00 0.22 -0.03 -0.69 0.00 0.00 0.00 175.10 174.60 2jbw s VAL 323 N 1.54 3.80 -0.35 2.92 1.01 0.78 -0.96 120.40 129.13 2jbw s VAL 323 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2jbw s VAL 323 Cb -0.15 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.57 2jbw s VAL 323 CO -0.08 0.45 0.14 -1.61 0.00 0.00 0.00 175.10 174.00 2jbw s GLU 324 N 0.83 2.69 0.41 2.72 0.41 0.10 -4.23 118.70 121.63 2jbw s GLU 324 Ca -0.00 -1.15 0.09 0.00 -0.41 0.00 0.00 54.97 53.49 2jbw s GLU 324 Cb -0.14 -3.56 0.87 0.00 -1.78 0.00 0.00 34.13 29.51 2jbw s GLU 324 CO 0.02 -0.68 2.00 1.57 -0.49 0.00 0.00 175.26 177.67 2jbw h LYS 325 N 8.30 0.35 -0.05 1.61 2.10 -1.89 0.26 116.57 127.25 2jbw h LYS 325 Ca -0.24 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2jbw h LYS 325 Cb 1.09 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2jbw h LYS 325 CO 0.63 0.33 0.00 -0.25 -2.00 0.00 0.00 179.45 178.16 2jbw n ASP 326 N -4.39 2.84 -4.74 7.07 8.00 -1.26 -4.58 116.55 119.48 2jbw n ASP 326 Ca 0.01 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.16 2jbw n ASP 326 Cb 0.16 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2jbw n ASP 326 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jbw s GLY 327 N -1.97 2.71 0.00 0.44 0.00 -0.44 -4.87 107.32 103.19 2jbw s GLY 327 Ca 0.30 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2jbw s GLY 327 CO 0.31 1.82 0.00 2.09 0.00 0.00 0.00 173.10 177.32 2jbw n ASP 328 N 2.41 0.00 -4.67 1.64 5.75 -1.26 -0.32 116.55 120.11 2jbw n ASP 328 Ca 0.04 -0.02 -0.47 0.00 -0.01 0.00 0.00 54.79 54.33 2jbw n ASP 328 Cb 0.45 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 2jbw n ASP 328 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2jbw n HIS 329 N -0.03 2.24 -1.00 2.11 -0.00 -1.26 -1.07 115.22 116.21 2jbw n HIS 329 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2jbw n HIS 329 Cb 0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.44 2jbw n HIS 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jbw h HIS 332 N 0.00 0.40 0.00 0.00 3.86 -1.76 -1.15 115.15 116.50 2jbw h HIS 332 Ca -0.43 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2jbw h HIS 332 Cb 1.30 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2jbw h HIS 332 CO 0.58 0.25 0.00 0.27 0.86 0.00 0.00 177.93 179.88 2jbw n ASN 333 N -4.49 0.42 -0.44 2.45 6.94 -1.26 -2.61 115.26 116.27 2jbw n ASN 333 Ca 0.02 0.62 0.13 0.00 -0.02 0.00 0.00 54.58 55.33 2jbw n ASN 333 Cb 0.07 -0.70 0.35 0.00 -2.36 0.00 0.00 39.78 37.13 2jbw n ASN 333 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jbw n LEU 334 N -1.98 1.53 0.00 -4.53 4.77 -0.43 -5.06 117.00 111.29 2jbw n LEU 334 Ca 0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2jbw n LEU 334 Cb 0.16 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jbw n LEU 334 CO 0.15 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2jbw n GLY 335 N 1.30 -1.33 0.18 -0.72 0.00 -1.07 -4.33 105.19 99.21 2jbw n GLY 335 Ca 0.14 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.87 2jbw n GLY 335 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jbw h ILE 336 N 0.00 0.52 -0.68 -0.61 2.10 -1.94 -3.37 117.51 113.54 2jbw h ILE 336 Ca 0.00 -1.65 0.15 0.00 1.08 0.00 0.00 64.86 64.44 2jbw h ILE 336 Cb 0.00 2.18 -0.11 0.00 -1.09 0.00 0.00 36.82 37.80 2jbw h ILE 336 CO 0.00 0.29 0.03 0.03 -1.08 0.00 0.00 178.15 177.42 2jbw h ARG 337 N 0.00 0.13 -0.36 2.19 3.08 -1.98 0.50 114.38 117.95 2jbw h ARG 337 Ca -0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2jbw h ARG 337 Cb 1.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2jbw h ARG 337 CO 0.04 0.09 0.24 -1.35 -1.07 0.00 0.00 179.97 177.91 2jbw h PRO 338 N 0.14 0.38 -0.32 0.04 0.11 -1.85 -0.52 132.00 129.97 2jbw h PRO 338 Ca 0.36 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 2jbw h PRO 338 Cb 0.61 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2jbw h PRO 338 CO -0.56 0.25 -0.11 0.00 -0.21 0.00 0.00 178.00 177.37 2jbw h ARG 339 N 0.39 0.64 -0.97 1.05 3.08 -1.20 -2.91 114.38 114.46 2jbw h ARG 339 Ca 0.14 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.98 2jbw h ARG 339 Cb 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2jbw h ARG 339 CO -0.03 0.83 0.63 -0.07 -1.07 0.00 0.00 179.97 180.26 2jbw h LEU 340 N 0.41 1.02 -1.53 3.04 3.38 -0.44 -2.43 115.31 118.76 2jbw h LEU 340 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jbw h LEU 340 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2jbw h LEU 340 CO 0.04 0.68 0.00 -0.62 0.09 0.00 0.00 178.44 178.63 2jbw n GLU 341 N -4.47 0.10 0.00 1.13 -0.58 -0.27 -1.18 120.64 115.37 2jbw n GLU 341 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2jbw n GLU 341 Cb 0.14 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2jbw n GLU 341 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jbw n ALA 343 N 0.71 0.00 -0.06 0.62 0.00 -0.92 -1.61 120.51 119.25 2jbw n ALA 343 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2jbw n ALA 343 Cb 0.04 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.64 2jbw n ALA 343 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jbw h ASP 344 N 0.00 0.69 -0.25 0.00 3.32 -1.41 0.22 116.42 118.99 2jbw h ASP 344 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2jbw h ASP 344 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2jbw h ASP 344 CO 0.00 0.85 0.09 -0.25 -1.72 0.00 0.00 179.24 178.22 2jbw h TRP 345 N 0.62 0.38 -0.86 4.55 7.01 -1.54 0.12 115.95 126.23 2jbw h TRP 345 Ca 0.10 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.11 2jbw h TRP 345 Cb 0.62 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 2jbw h TRP 345 CO 0.03 0.41 0.57 -0.07 -2.79 0.00 0.00 178.44 176.59 2jbw h LEU 346 N 0.25 0.92 0.00 0.65 3.38 -1.79 -0.99 115.31 117.72 2jbw h LEU 346 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jbw h LEU 346 Cb 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jbw h LEU 346 CO -0.01 0.62 -0.00 0.22 0.09 0.00 0.00 178.44 179.37 2jbw h TYR 347 N 1.06 -0.00 -0.42 1.13 3.20 -0.16 0.17 116.97 121.96 2jbw h TYR 347 Ca 0.35 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.30 2jbw h TYR 347 Cb 0.06 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 2jbw h TYR 347 CO -0.00 0.12 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.12 2jbw h ASP 348 N -0.13 -0.35 -0.07 -2.11 3.32 -0.30 0.24 116.42 117.02 2jbw h ASP 348 Ca -0.00 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2jbw h ASP 348 Cb 0.13 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2jbw h ASP 348 CO 0.00 -0.12 -0.14 0.58 -1.72 0.00 0.00 179.24 177.84 2jbw h VAL 349 N 0.02 1.41 0.03 -1.35 2.07 -1.13 -0.33 116.25 116.96 2jbw h VAL 349 Ca 0.20 -1.43 -0.35 0.00 0.82 0.00 0.00 66.70 65.94 2jbw h VAL 349 Cb 0.30 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 2jbw h VAL 349 CO -0.41 0.40 -2.12 0.18 0.02 0.00 0.00 177.57 175.64 2jbw n LEU 350 N -4.62 1.57 -0.09 2.57 4.32 0.59 -3.78 117.00 117.56 2jbw n LEU 350 Ca -0.08 0.14 -0.11 0.00 -0.02 0.00 0.00 56.01 55.94 2jbw n LEU 350 Cb 0.37 -0.31 -0.04 0.00 -1.62 0.00 0.00 43.42 41.81 2jbw n LEU 350 CO 0.38 0.66 -0.66 0.52 -1.22 0.00 0.00 177.39 177.07 2jbw n VAL 351 N -3.13 1.48 0.24 4.08 0.31 0.74 -4.53 118.33 117.52 2jbw n VAL 351 Ca -0.31 0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2jbw n VAL 351 Cb 1.06 -2.28 0.60 0.00 -0.91 0.00 0.00 33.84 32.31 2jbw n VAL 351 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jbw h ALA 352 N -0.96 1.12 -2.13 3.52 0.00 -1.38 -3.47 119.26 115.96 2jbw h ALA 352 Ca -0.12 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 2jbw h ALA 352 Cb 0.94 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jbw h ALA 352 CO -0.07 0.21 -0.41 0.41 0.00 0.00 0.00 179.25 179.39 2jbw n GLY 353 N -0.21 -0.01 3.80 0.00 0.00 -0.61 -4.99 105.19 103.17 2jbw n GLY 353 Ca -0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2jbw n GLY 353 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jbw s LYS 354 N -4.61 3.79 -0.47 1.61 2.20 -0.24 -5.01 119.74 117.02 2jbw s LYS 354 Ca 0.00 1.38 -0.16 0.00 -0.36 0.00 0.00 55.97 56.83 2jbw s LYS 354 Cb 0.00 -2.11 0.06 0.00 -1.51 0.00 0.00 37.83 34.27 2jbw s LYS 354 CO 0.00 -0.44 0.42 0.15 -0.36 0.00 0.00 175.35 175.12 2jbw s LYS 355 N -3.20 3.01 0.02 4.03 1.02 -1.26 -4.51 119.74 118.85 2jbw s LYS 355 Ca 0.67 -1.18 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 2jbw s LYS 355 Cb -0.17 -4.09 -0.05 0.00 -0.52 0.00 0.00 37.83 32.99 2jbw s LYS 355 CO 0.21 -1.01 0.66 0.08 -0.92 0.00 0.00 175.35 174.37 2jbw s VAL 356 N 1.85 4.83 0.06 3.17 1.01 -1.26 -5.02 120.40 125.05 2jbw s VAL 356 Ca 0.07 1.39 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 2jbw s VAL 356 Cb -0.22 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2jbw s VAL 356 CO 0.09 0.41 1.40 0.00 0.00 0.00 0.00 175.10 176.99 2jbw s ALA 357 N -0.19 3.58 0.25 5.51 0.00 -1.26 -4.99 121.76 124.65 2jbw s ALA 357 Ca 0.34 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 2jbw s ALA 357 Cb -0.19 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 2jbw s ALA 357 CO 0.19 -0.76 1.41 -1.25 0.00 0.00 0.00 175.76 175.36 2jbw s PRO 358 N 1.73 4.29 0.00 0.00 0.04 -1.26 -4.84 135.00 134.95 2jbw s PRO 358 Ca 0.65 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2jbw s PRO 358 Cb -0.34 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2jbw s PRO 358 CO 0.29 -0.37 0.00 0.25 0.04 0.00 0.00 177.00 177.20 2jbw n THR 359 N 2.23 0.00 0.00 1.26 -2.24 -0.79 -4.98 114.28 109.76 2jbw n THR 359 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jbw n THR 359 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2jbw n THR 359 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2jbw n LYS 361 N 0.00 0.00 -1.23 -0.78 4.81 0.45 -0.98 118.16 120.43 2jbw n LYS 361 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2jbw n LYS 361 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2jbw n LYS 361 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jbw n GLY 362 N -0.03 0.92 2.89 3.14 0.00 -1.26 -0.16 105.19 110.69 2jbw n GLY 362 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2jbw n GLY 362 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2jbw s TRP 363 N -2.10 0.16 0.86 1.61 -0.11 -1.26 -4.27 118.94 113.83 2jbw s TRP 363 Ca 0.00 -0.02 -0.12 0.00 1.22 0.00 0.00 56.10 57.18 2jbw s TRP 363 Cb 0.00 -0.13 0.11 0.00 -1.50 0.00 0.00 33.47 31.95 2jbw s TRP 363 CO 0.00 -0.02 1.11 -1.25 -4.62 0.00 0.00 176.95 172.17 2jbw s PRO 364 N 0.10 1.59 0.35 5.86 0.04 -1.26 -5.10 135.00 136.57 2jbw s PRO 364 Ca -0.01 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.33 2jbw s PRO 364 Cb -0.02 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2jbw s PRO 364 CO -0.00 -1.95 1.13 -0.51 0.04 0.00 0.00 177.00 175.71 2jbw s LEU 365 N -5.96 4.34 0.00 -3.56 1.02 -1.26 -5.14 118.68 108.11 2jbw s LEU 365 Ca 0.62 2.29 0.00 0.00 0.02 0.00 0.00 54.13 57.06 2jbw s LEU 365 Cb -0.15 -3.87 0.00 0.00 0.02 0.00 0.00 46.19 42.18 2jbw s LEU 365 CO 0.55 -0.43 0.00 1.21 0.02 0.00 0.00 176.35 177.70