#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj h LYS 3 N 0.00 0.00 -4.65 0.54 3.11 -2.09 -3.47 116.57 110.01 2wrj h LYS 3 Ca 0.00 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.52 2wrj h LYS 3 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.09 2wrj h LYS 3 CO 0.00 0.15 -0.54 -1.01 -2.81 0.00 0.00 179.45 175.24 2wrj s HIS 4 N -3.16 1.34 0.67 1.91 3.76 -1.26 -5.17 115.29 113.38 2wrj s HIS 4 Ca 0.02 -1.45 -0.11 0.00 -0.15 0.00 0.00 55.06 53.37 2wrj s HIS 4 Cb 0.08 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 2wrj s HIS 4 CO 0.75 -0.75 1.07 0.20 -0.85 0.00 0.00 174.74 175.15 2wrj s GLY 5 N -3.23 1.64 0.00 -2.22 0.00 -1.26 -4.95 107.32 97.30 2wrj s GLY 5 Ca 0.39 -0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.65 2wrj s GLY 5 CO 0.18 0.11 1.26 1.70 0.00 0.00 0.00 173.10 176.36 2wrj h LYS 6 N -0.53 -0.24 -0.56 2.90 3.64 -2.01 -2.24 116.57 117.53 2wrj h LYS 6 Ca -0.45 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2wrj h LYS 6 Cb 1.22 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 2wrj h LYS 6 CO 0.63 0.10 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.70 2wrj h ARG 7 N -0.62 0.01 0.32 1.90 2.43 -1.99 -2.32 114.38 114.11 2wrj h ARG 7 Ca -0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wrj h ARG 7 Cb 0.46 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2wrj h ARG 7 CO 0.04 0.01 -0.50 -0.92 -1.51 0.00 0.00 179.97 177.09 2wrj h TYR 8 N 0.01 -1.42 -0.91 2.20 3.20 -1.93 -2.35 116.97 115.78 2wrj h TYR 8 Ca 0.27 0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.37 2wrj h TYR 8 Cb 0.42 0.58 -0.12 0.00 1.54 0.00 0.00 36.73 39.15 2wrj h TYR 8 CO -0.45 -0.62 0.45 0.00 -1.64 0.00 0.00 178.16 175.91 2wrj h ARG 9 N -0.86 0.49 0.00 1.82 3.08 -1.04 1.17 114.38 119.03 2wrj h ARG 9 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wrj h ARG 9 Cb 0.80 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2wrj h ARG 9 CO -0.16 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 2wrj n ALA 10 N -2.44 1.29 -0.07 0.04 0.00 -0.91 -2.38 120.51 116.05 2wrj n ALA 10 Ca 0.22 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 2wrj n ALA 10 Cb 0.61 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 2wrj n ALA 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrj h LEU 11 N 0.00 0.14 -0.09 0.00 3.38 0.17 -3.35 115.31 115.57 2wrj h LEU 11 Ca 0.00 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.33 2wrj h LEU 11 Cb 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wrj h LEU 11 CO 0.00 1.61 1.00 -0.07 0.09 0.00 0.00 178.44 181.07 2wrj h LEU 12 N -0.65 0.00 0.03 1.67 3.38 -1.08 -0.69 115.31 117.98 2wrj h LEU 12 Ca -0.37 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2wrj h LEU 12 Cb 1.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2wrj h LEU 12 CO -0.11 0.00 -0.45 -0.33 0.09 0.00 0.00 178.44 177.64 2wrj h GLU 13 N 0.00 -0.57 -2.06 1.13 4.39 -1.69 -3.05 114.58 112.73 2wrj h GLU 13 Ca 0.02 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2wrj h GLU 13 Cb 2.01 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 2wrj h GLU 13 CO -0.00 -0.38 -0.04 1.63 -1.16 0.00 0.00 179.01 179.06 2wrj n LYS 14 N -5.00 0.93 -3.43 2.33 4.01 -0.26 -4.72 118.16 112.01 2wrj n LYS 14 Ca -0.07 -0.18 -0.03 0.00 -0.51 0.00 0.00 58.31 57.52 2wrj n LYS 14 Cb 0.34 -1.30 -0.05 0.00 -0.51 0.00 0.00 35.03 33.51 2wrj n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2wrj s VAL 15 N 0.72 -0.82 -0.68 -0.18 -7.23 -1.15 -5.05 120.40 106.01 2wrj s VAL 15 Ca 0.12 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 60.04 2wrj s VAL 15 Cb 0.06 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 36.15 2wrj s VAL 15 CO 0.00 -0.02 1.24 -0.62 -0.31 0.00 0.00 175.10 175.39 2wrj s ASP 16 N 2.73 6.26 0.00 4.85 -1.08 -1.26 -4.86 116.67 123.31 2wrj s ASP 16 Ca 0.08 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2wrj s ASP 16 Cb -0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2wrj s ASP 16 CO -0.17 -1.70 0.16 -0.81 0.52 0.00 0.00 175.17 173.17 2wrj n PRO 17 N 8.99 0.00 0.00 4.34 -0.04 -1.26 -0.55 135.00 146.49 2wrj n PRO 17 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2wrj n PRO 17 Cb 0.49 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2wrj n PRO 17 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wrj n ASN 18 N -0.62 0.13 -4.79 3.54 6.94 -1.26 -5.07 115.26 114.12 2wrj n ASN 18 Ca 0.00 -0.17 -0.32 0.00 -0.02 0.00 0.00 54.58 54.07 2wrj n ASN 18 Cb 0.00 0.36 0.04 0.00 -2.36 0.00 0.00 39.78 37.82 2wrj n ASN 18 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2wrj s LYS 19 N -0.39 2.98 -0.55 -3.83 2.20 0.29 -5.00 119.74 115.44 2wrj s LYS 19 Ca 0.00 1.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.84 2wrj s LYS 19 Cb 0.00 -1.99 0.14 0.00 -1.51 0.00 0.00 37.83 34.47 2wrj s LYS 19 CO 0.00 -1.08 0.30 0.08 -0.36 0.00 0.00 175.35 174.29 2wrj s VAL 20 N -2.61 2.57 0.57 4.02 1.01 -1.26 -4.67 120.40 120.04 2wrj s VAL 20 Ca 0.63 -3.47 -0.20 0.00 0.00 0.00 0.00 61.98 58.94 2wrj s VAL 20 Cb -0.17 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2wrj s VAL 20 CO 0.44 -0.85 1.24 -0.31 0.00 0.00 0.00 175.10 175.62 2wrj s TYR 21 N -0.49 2.40 0.49 5.22 1.51 -1.14 -4.56 117.35 120.78 2wrj s TYR 21 Ca 0.19 1.49 -0.18 0.00 -1.01 0.00 0.00 57.07 57.56 2wrj s TYR 21 Cb -0.22 -3.54 -0.09 0.00 -0.11 0.00 0.00 41.96 38.00 2wrj s TYR 21 CO -0.03 -2.31 0.98 0.95 -1.11 0.00 0.00 175.55 174.02 2wrj s THR 22 N -1.52 4.48 0.19 -0.71 -4.23 -1.26 -1.66 115.64 110.93 2wrj s THR 22 Ca 0.75 1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 62.40 2wrj s THR 22 Cb -0.33 -3.68 0.16 0.00 1.34 0.00 0.00 72.50 70.00 2wrj s THR 22 CO 0.36 -0.57 1.64 0.40 -0.54 0.00 0.00 174.62 175.91 2wrj h ILE 23 N 1.23 0.43 -0.51 2.99 2.04 -1.81 0.56 117.51 122.44 2wrj h ILE 23 Ca -0.47 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2wrj h ILE 23 Cb 1.18 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2wrj h ILE 23 CO 0.61 0.00 0.16 0.44 0.00 0.00 0.00 178.15 179.36 2wrj h ASP 24 N -0.04 0.12 0.30 1.72 3.32 -1.93 0.20 116.42 120.12 2wrj h ASP 24 Ca 0.25 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 2wrj h ASP 24 Cb 0.41 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2wrj h ASP 24 CO -0.55 0.09 -0.47 -0.08 -1.72 0.00 0.00 179.24 176.51 2wrj h GLU 25 N 0.32 0.21 -0.11 3.56 4.81 -1.29 -2.89 114.58 119.19 2wrj h GLU 25 Ca 0.25 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2wrj h GLU 25 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2wrj h GLU 25 CO -0.28 0.64 -0.21 0.00 -0.73 0.00 0.00 179.01 178.44 2wrj h ALA 26 N 1.34 0.17 0.28 2.92 0.00 0.92 -3.00 119.26 121.89 2wrj h ALA 26 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wrj h ALA 26 Cb 0.90 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2wrj h ALA 26 CO 0.07 0.12 -0.48 0.00 0.00 0.00 0.00 179.25 178.96 2wrj h ALA 27 N 0.53 -0.97 0.00 0.00 0.00 -0.61 0.30 119.26 118.51 2wrj h ALA 27 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wrj h ALA 27 Cb 0.79 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wrj h ALA 27 CO 0.05 -1.10 0.08 0.54 0.00 0.00 0.00 179.25 178.82 2wrj n ARG 28 N -5.51 0.07 0.00 0.00 1.74 -1.10 -3.00 116.66 108.86 2wrj n ARG 28 Ca -0.10 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2wrj n ARG 28 Cb 0.42 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2wrj n ARG 28 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wrj n LEU 29 N -1.83 0.15 -0.03 0.55 0.00 0.27 -4.56 117.00 111.54 2wrj n LEU 29 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 56.01 56.03 2wrj n LEU 29 Cb 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 43.42 43.29 2wrj n LEU 29 CO 0.04 -0.23 0.06 0.52 0.00 0.00 0.00 177.39 177.78 2wrj n VAL 30 N -1.89 -0.05 -0.27 1.96 0.31 0.81 0.26 118.33 119.46 2wrj n VAL 30 Ca 0.00 0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.65 2wrj n VAL 30 Cb 0.00 -0.29 0.20 0.00 -0.91 0.00 0.00 33.84 32.85 2wrj n VAL 30 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wrj n LYS 31 N -4.14 -0.06 -0.28 5.55 0.00 -1.16 0.23 118.16 118.30 2wrj n LYS 31 Ca 0.01 1.15 -0.02 0.00 0.00 0.00 0.00 58.31 59.45 2wrj n LYS 31 Cb 0.04 -1.81 0.08 0.00 0.00 0.00 0.00 35.03 33.33 2wrj n LYS 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2wrj n GLU 32 N -5.10 1.69 0.00 1.64 0.28 0.72 -3.28 120.64 116.59 2wrj n GLU 32 Ca 0.17 -0.81 0.01 0.00 -0.16 0.00 0.00 57.16 56.37 2wrj n GLU 32 Cb 0.55 -1.51 0.01 0.00 1.43 0.00 0.00 31.44 31.92 2wrj n GLU 32 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2wrj n LEU 33 N 0.12 1.06 -4.19 -1.84 4.77 0.63 -4.83 117.00 112.73 2wrj n LEU 33 Ca 0.11 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.74 2wrj n LEU 33 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2wrj n LEU 33 CO 0.12 0.24 1.52 0.00 -1.33 0.00 0.00 177.39 177.94 2wrj n ALA 34 N -0.04 4.58 0.32 -1.18 0.00 -1.21 -4.37 120.51 118.62 2wrj n ALA 34 Ca 0.02 -4.37 0.10 0.00 0.00 0.00 0.00 53.44 49.19 2wrj n ALA 34 Cb 0.07 -2.90 0.26 0.00 0.00 0.00 0.00 19.45 16.88 2wrj n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wrj n THR 35 N 3.63 0.66 -1.43 0.00 -2.24 -1.26 -4.87 114.28 108.77 2wrj n THR 35 Ca 0.36 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2wrj n THR 35 Cb 0.39 0.48 0.22 0.00 -2.10 0.00 0.00 70.33 69.31 2wrj n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrj s ALA 36 N -1.34 1.28 -1.17 6.98 0.00 -1.26 -4.96 121.76 121.29 2wrj s ALA 36 Ca 0.38 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2wrj s ALA 36 Cb 0.20 -2.84 0.23 0.00 0.00 0.00 0.00 23.12 20.71 2wrj s ALA 36 CO 0.27 -3.12 1.98 1.63 0.00 0.00 0.00 175.76 176.52 2wrj n LYS 37 N -4.36 4.79 -3.68 0.00 5.02 -1.26 -4.88 118.16 113.79 2wrj n LYS 37 Ca 0.14 -4.09 0.00 0.00 -2.02 0.00 0.00 58.31 52.34 2wrj n LYS 37 Cb 0.59 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2wrj n LYS 37 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2wrj n PHE 38 N 1.25 0.00 -2.98 2.13 -1.74 -1.26 -5.06 117.46 109.80 2wrj n PHE 38 Ca 0.48 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.93 2wrj n PHE 38 Cb 0.28 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.27 2wrj n PHE 38 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2wrj s ASP 39 N -4.00 7.01 0.56 5.98 -1.08 -1.26 -4.98 116.67 118.90 2wrj s ASP 39 Ca 0.00 -2.88 -0.18 0.00 -0.52 0.00 0.00 52.55 48.97 2wrj s ASP 39 Cb 0.00 -2.38 -0.12 0.00 -1.46 0.00 0.00 42.92 38.96 2wrj s ASP 39 CO 0.00 -0.76 0.15 -0.62 0.52 0.00 0.00 175.17 174.46 2wrj n GLU 40 N 5.54 0.22 -3.68 4.34 1.02 -1.26 -4.47 120.64 122.35 2wrj n GLU 40 Ca 0.33 0.09 -0.37 0.00 -0.02 0.00 0.00 57.16 57.19 2wrj n GLU 40 Cb 0.44 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 2wrj n GLU 40 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wrj s THR 41 N -1.88 5.32 -0.58 2.62 2.01 -1.26 -0.69 115.64 121.17 2wrj s THR 41 Ca 0.62 0.46 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 2wrj s THR 41 Cb -0.46 -3.55 0.07 0.00 0.01 0.00 0.00 72.50 68.58 2wrj s THR 41 CO 0.61 0.53 0.79 -0.69 -0.69 0.00 0.00 174.62 175.18 2wrj s VAL 42 N -0.52 4.63 0.21 3.82 1.01 0.42 -0.35 120.40 129.63 2wrj s VAL 42 Ca 0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2wrj s VAL 42 Cb -0.13 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2wrj s VAL 42 CO 0.06 -1.14 0.44 -1.83 0.00 0.00 0.00 175.10 172.63 2wrj s GLU 43 N 3.24 3.61 -0.12 2.72 -1.05 -0.30 -0.79 118.70 126.00 2wrj s GLU 43 Ca 0.18 -0.11 0.02 0.00 -0.15 0.00 0.00 54.97 54.91 2wrj s GLU 43 Cb -0.19 -2.77 0.01 0.00 -0.44 0.00 0.00 34.13 30.74 2wrj s GLU 43 CO 0.11 0.37 -0.18 0.08 0.95 0.00 0.00 175.26 176.58 2wrj s VAL 44 N -1.85 1.74 0.10 1.83 1.01 -0.48 -1.96 120.40 120.80 2wrj s VAL 44 Ca 0.42 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2wrj s VAL 44 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2wrj s VAL 44 CO 0.27 0.49 -0.24 -1.00 0.00 0.00 0.00 175.10 174.62 2wrj s HIS 45 N 0.91 2.39 -0.26 5.22 3.76 -0.64 -1.96 115.29 124.71 2wrj s HIS 45 Ca -0.07 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 2wrj s HIS 45 Cb -0.15 -1.33 0.09 0.00 1.11 0.00 0.00 32.58 32.30 2wrj s HIS 45 CO -0.02 0.29 0.60 0.00 -0.85 0.00 0.00 174.74 174.76 2wrj s ALA 46 N -1.01 -1.69 -0.16 -1.40 0.00 -0.83 -0.54 121.76 116.13 2wrj s ALA 46 Ca 0.14 2.14 -0.25 0.00 0.00 0.00 0.00 51.96 54.00 2wrj s ALA 46 Cb -0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2wrj s ALA 46 CO 0.06 -0.55 0.80 0.21 0.00 0.00 0.00 175.76 176.28 2wrj s LYS 47 N 2.05 4.30 0.03 0.00 2.47 0.13 -1.19 119.74 127.53 2wrj s LYS 47 Ca -0.08 0.96 0.01 0.00 -1.56 0.00 0.00 55.97 55.30 2wrj s LYS 47 Cb -0.08 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 2wrj s LYS 47 CO -0.18 -0.29 0.08 -0.51 0.16 0.00 0.00 175.35 174.61 2wrj s LEU 48 N 2.02 3.86 -1.37 5.43 1.02 -1.01 -1.73 118.68 126.90 2wrj s LEU 48 Ca 0.37 0.09 -0.13 0.00 0.02 0.00 0.00 54.13 54.48 2wrj s LEU 48 Cb -0.17 -2.35 0.09 0.00 0.02 0.00 0.00 46.19 43.78 2wrj s LEU 48 CO 0.13 0.24 2.02 0.61 0.02 0.00 0.00 176.35 179.36 2wrj n GLY 49 N 0.92 4.31 3.01 -3.19 0.00 0.16 -4.86 105.19 105.54 2wrj n GLY 49 Ca -0.11 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 2wrj n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wrj n ILE 50 N 4.59 0.00 -3.98 -0.61 -5.35 -1.26 -4.51 119.36 108.24 2wrj n ILE 50 Ca 0.47 -2.02 -0.35 0.00 -0.27 0.00 0.00 62.75 60.57 2wrj n ILE 50 Cb 0.39 1.08 -0.13 0.00 -1.74 0.00 0.00 39.64 39.24 2wrj n ILE 50 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wrj s ASP 51 N -3.09 4.70 0.27 7.28 2.15 -1.26 -5.01 116.67 121.70 2wrj s ASP 51 Ca 0.33 -0.27 0.06 0.00 0.43 0.00 0.00 52.55 53.11 2wrj s ASP 51 Cb 0.01 -1.81 0.35 0.00 -0.30 0.00 0.00 42.92 41.17 2wrj s ASP 51 CO 0.24 0.02 1.63 1.55 -0.17 0.00 0.00 175.17 178.43 2wrj h PRO 52 N 7.82 0.21 0.00 4.34 0.13 -1.87 -3.26 132.00 139.36 2wrj h PRO 52 Ca -0.38 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2wrj h PRO 52 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wrj h PRO 52 CO 0.60 0.68 0.00 0.07 -0.23 0.00 0.00 178.00 179.12 2wrj h ARG 53 N 0.16 0.00 -6.58 0.86 -0.00 -1.95 -3.43 114.38 103.44 2wrj h ARG 53 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.42 2wrj h ARG 53 Cb 0.98 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.87 2wrj h ARG 53 CO 0.08 0.00 0.90 1.03 -0.00 0.00 0.00 179.97 181.98 2wrj s ARG 54 N -3.17 3.61 0.19 0.08 1.81 -1.23 -4.92 118.95 115.32 2wrj s ARG 54 Ca 0.08 0.37 -0.23 0.00 -1.72 0.00 0.00 55.73 54.24 2wrj s ARG 54 Cb 0.08 -3.96 0.10 0.00 -0.45 0.00 0.00 34.95 30.72 2wrj s ARG 54 CO 0.64 -1.49 1.57 1.03 -0.68 0.00 0.00 175.30 176.37 2wrj h SER 55 N 9.34 -1.42 0.00 0.23 0.87 -1.89 0.12 113.55 120.81 2wrj h SER 55 Ca -0.24 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2wrj h SER 55 Cb 1.06 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2wrj h SER 55 CO 1.14 -0.31 0.16 -2.24 -0.53 0.00 0.00 176.83 175.06 2wrj h ASP 56 N -0.15 0.00 -0.34 6.23 2.03 -1.96 -2.53 116.42 119.71 2wrj h ASP 56 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 2wrj h ASP 56 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2wrj h ASP 56 CO -0.76 0.00 0.00 1.67 -1.03 0.00 0.00 179.24 179.12 2wrj n GLN 57 N -2.95 3.30 -3.48 4.15 7.27 0.40 -4.84 117.38 121.23 2wrj n GLN 57 Ca -0.02 -2.83 -0.37 0.00 0.07 0.00 0.00 57.00 53.85 2wrj n GLN 57 Cb 0.22 -1.87 -0.06 0.00 2.41 0.00 0.00 30.24 30.94 2wrj n GLN 57 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2wrj s ASN 58 N -1.61 6.78 -0.13 1.69 -0.87 -0.95 -4.57 114.94 115.28 2wrj s ASN 58 Ca 0.43 0.95 -0.05 0.00 -1.57 0.00 0.00 52.86 52.63 2wrj s ASN 58 Cb 0.33 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 39.29 2wrj s ASN 58 CO 0.11 0.24 0.04 -0.69 -2.57 0.00 0.00 177.10 174.23 2wrj s VAL 59 N -1.24 4.62 0.14 1.60 1.01 -1.26 -4.97 120.40 120.30 2wrj s VAL 59 Ca 0.29 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 2wrj s VAL 59 Cb -0.16 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.29 2wrj s VAL 59 CO 0.16 0.55 0.62 -0.60 0.00 0.00 0.00 175.10 175.84 2wrj s ARG 60 N -0.39 1.24 0.00 2.72 3.52 -1.26 -2.80 118.95 121.98 2wrj s ARG 60 Ca 0.09 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2wrj s ARG 60 Cb -0.12 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 2wrj s ARG 60 CO 0.02 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.38 2wrj n GLY 61 N -0.35 0.23 3.60 8.12 0.00 -1.14 -5.01 105.19 110.63 2wrj n GLY 61 Ca -0.16 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 2wrj n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wrj s THR 62 N -1.51 1.00 -0.28 2.61 -4.23 -1.26 -1.40 115.64 110.57 2wrj s THR 62 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2wrj s THR 62 Cb 0.00 -2.41 0.12 0.00 1.34 0.00 0.00 72.50 71.56 2wrj s THR 62 CO 0.00 0.00 0.99 0.54 -0.54 0.00 0.00 174.62 175.61 2wrj s VAL 63 N -3.06 0.00 -0.41 2.29 0.11 -0.75 -4.97 120.40 113.61 2wrj s VAL 63 Ca 0.20 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.10 2wrj s VAL 63 Cb 0.04 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2wrj s VAL 63 CO 0.11 0.00 0.32 -0.44 -3.33 0.00 0.00 175.10 171.76 2wrj s SER 64 N 0.60 6.12 0.45 3.54 0.01 -1.26 -1.44 113.70 121.72 2wrj s SER 64 Ca -0.01 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.17 2wrj s SER 64 Cb -0.05 -2.17 -0.08 0.00 0.21 0.00 0.00 66.02 63.93 2wrj s SER 64 CO -0.09 -0.46 1.41 -0.76 0.41 0.00 0.00 173.24 173.75 2wrj s LEU 65 N 1.77 4.12 0.24 2.44 1.43 -1.16 -4.91 118.68 122.60 2wrj s LEU 65 Ca 0.06 2.89 -0.05 0.00 -1.03 0.00 0.00 54.13 56.00 2wrj s LEU 65 Cb -0.19 -3.93 0.38 0.00 0.03 0.00 0.00 46.19 42.48 2wrj s LEU 65 CO 0.11 -1.15 1.78 -0.65 0.23 0.00 0.00 176.35 176.67 2wrj h PRO 66 N 2.35 0.62 -0.52 1.29 0.11 -1.92 -1.81 132.00 132.12 2wrj h PRO 66 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wrj h PRO 66 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wrj h PRO 66 CO 0.61 0.41 0.00 0.72 -0.21 0.00 0.00 178.00 179.53 2wrj n HIS 67 N -4.85 0.68 -1.21 0.65 8.25 -1.26 -5.08 115.22 112.40 2wrj n HIS 67 Ca 0.13 -0.36 0.14 0.00 -0.26 0.00 0.00 57.72 57.37 2wrj n HIS 67 Cb 0.31 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 2wrj n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 68 N 1.50 -1.90 0.00 -1.41 0.00 -0.68 -4.17 105.19 98.54 2wrj n GLY 68 Ca 0.21 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.51 2wrj n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 69 N -3.69 0.00 -3.75 0.99 4.77 -1.26 -4.68 117.00 109.38 2wrj n LEU 69 Ca -0.02 0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 56.11 2wrj n LEU 69 Cb 0.64 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2wrj n LEU 69 CO 0.02 -0.08 -0.18 0.61 -1.33 0.00 0.00 177.39 176.43 2wrj n GLY 70 N 0.84 -1.25 0.00 -0.72 0.00 -1.26 -4.60 105.19 98.19 2wrj n GLY 70 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2wrj n GLY 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrj n LYS 71 N -2.84 0.00 -4.37 1.61 4.81 -1.26 -4.91 118.16 111.20 2wrj n LYS 71 Ca -0.26 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 56.89 2wrj n LYS 71 Cb 0.66 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.59 2wrj n LYS 71 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2wrj s GLN 72 N 1.11 1.52 -0.23 1.64 2.00 -1.26 -5.09 119.66 119.35 2wrj s GLN 72 Ca 0.00 -1.33 -0.06 0.00 -2.00 0.00 0.00 55.36 51.97 2wrj s GLN 72 Cb 0.00 -1.95 0.11 0.00 0.80 0.00 0.00 33.01 31.97 2wrj s GLN 72 CO 0.00 0.45 0.46 0.54 -0.50 0.00 0.00 175.29 176.24 2wrj s VAL 73 N -1.16 -0.72 -0.95 1.34 0.11 -1.26 -5.08 120.40 112.68 2wrj s VAL 73 Ca 0.16 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.18 2wrj s VAL 73 Cb -0.10 -0.76 0.24 0.00 -1.53 0.00 0.00 36.38 34.23 2wrj s VAL 73 CO 0.08 0.03 0.93 0.00 -3.33 0.00 0.00 175.10 172.80 2wrj s ARG 74 N 2.67 3.85 0.59 1.54 1.70 -1.26 -4.86 118.95 123.18 2wrj s ARG 74 Ca 0.01 -2.74 -0.18 0.00 -0.47 0.00 0.00 55.73 52.35 2wrj s ARG 74 Cb -0.13 -4.51 -0.06 0.00 -0.57 0.00 0.00 34.95 29.69 2wrj s ARG 74 CO -0.15 -1.30 0.82 0.28 -1.08 0.00 0.00 175.30 173.87 2wrj n VAL 75 N 3.53 3.27 -5.19 4.99 0.31 -1.26 -2.22 118.33 121.76 2wrj n VAL 75 Ca 0.19 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 2wrj n VAL 75 Cb 0.44 -0.99 -0.16 0.00 -0.91 0.00 0.00 33.84 32.22 2wrj n VAL 75 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2wrj s LEU 76 N -1.15 2.04 0.03 7.52 2.96 0.77 -3.28 118.68 127.57 2wrj s LEU 76 Ca 0.74 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 2wrj s LEU 76 Cb -0.42 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2wrj s LEU 76 CO 0.49 0.26 -0.24 0.00 -1.32 0.00 0.00 176.35 175.54 2wrj s ALA 77 N -0.37 2.33 -0.37 5.97 0.00 0.22 -1.57 121.76 127.98 2wrj s ALA 77 Ca 0.03 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2wrj s ALA 77 Cb -0.11 -0.56 0.15 0.00 0.00 0.00 0.00 23.12 22.60 2wrj s ALA 77 CO 0.01 0.54 0.34 0.42 0.00 0.00 0.00 175.76 177.07 2wrj s ILE 78 N -0.80 -0.22 0.00 0.00 1.01 -1.20 -3.65 121.20 116.33 2wrj s ILE 78 Ca 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2wrj s ILE 78 Cb -0.10 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2wrj s ILE 78 CO 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 174.94 174.28 2wrj n ALA 79 N 4.20 0.00 -3.54 9.38 0.00 -1.03 -2.99 120.51 126.53 2wrj n ALA 79 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 2wrj n ALA 79 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 2wrj n ALA 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2wrj s LYS 80 N 0.94 0.16 7.09 0.00 2.20 -1.26 -3.73 119.74 125.14 2wrj s LYS 80 Ca 0.00 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2wrj s LYS 80 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 2wrj s LYS 80 CO 0.00 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 2wrj n GLY 81 N 5.32 3.88 0.61 5.54 0.00 -1.26 -3.12 105.19 116.16 2wrj n GLY 81 Ca -0.05 0.07 0.41 0.00 0.00 0.00 0.00 46.02 46.44 2wrj n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wrj n GLU 82 N 14.00 0.01 0.16 1.61 0.28 -1.26 0.13 120.64 135.56 2wrj n GLU 82 Ca 0.00 1.01 0.08 0.00 -0.16 0.00 0.00 57.16 58.10 2wrj n GLU 82 Cb 0.00 -2.42 0.07 0.00 1.43 0.00 0.00 31.44 30.52 2wrj n GLU 82 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2wrj h LYS 83 N 0.00 0.00 -0.17 3.44 1.79 -1.95 -2.94 116.57 116.74 2wrj h LYS 83 Ca 0.72 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.14 2wrj h LYS 83 Cb 3.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.92 2wrj h LYS 83 CO -0.01 0.15 -0.11 0.82 -1.08 0.00 0.00 179.45 179.22 2wrj h ILE 84 N 0.00 1.17 0.11 1.86 2.04 0.85 -1.59 117.51 121.96 2wrj h ILE 84 Ca -0.02 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2wrj h ILE 84 Cb 1.15 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2wrj h ILE 84 CO 0.02 0.24 -0.05 0.11 0.00 0.00 0.00 178.15 178.47 2wrj h LYS 85 N 0.25 -0.14 -0.11 2.37 6.56 -1.59 -2.46 116.57 121.44 2wrj h LYS 85 Ca 0.05 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.69 2wrj h LYS 85 Cb 0.36 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2wrj h LYS 85 CO 0.02 0.10 0.53 1.49 -2.06 0.00 0.00 179.45 179.53 2wrj h GLU 86 N -1.01 0.00 0.05 3.15 4.81 -1.44 0.79 114.58 120.93 2wrj h GLU 86 Ca -0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2wrj h GLU 86 Cb 0.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2wrj h GLU 86 CO 0.02 0.00 -0.88 0.00 -0.73 0.00 0.00 179.01 177.43 2wrj h ALA 87 N 1.05 0.12 -0.40 2.92 0.00 -1.33 -0.36 119.26 121.25 2wrj h ALA 87 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2wrj h ALA 87 Cb 1.12 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2wrj h ALA 87 CO -0.00 0.49 0.25 0.93 0.00 0.00 0.00 179.25 180.93 2wrj h GLU 88 N -0.73 0.54 -0.65 0.00 5.08 0.03 -1.26 114.58 117.59 2wrj h GLU 88 Ca -0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2wrj h GLU 88 Cb 1.38 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2wrj h GLU 88 CO -0.03 0.39 0.33 0.93 -1.00 0.00 0.00 179.01 179.63 2wrj h GLU 89 N 0.54 0.92 -0.00 2.33 5.08 0.26 -1.59 114.58 122.12 2wrj h GLU 89 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wrj h GLU 89 Cb -0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2wrj h GLU 89 CO -0.03 0.72 0.05 0.00 -1.00 0.00 0.00 179.01 178.74 2wrj h ALA 90 N 1.15 1.05 0.00 3.43 0.00 -0.39 -3.45 119.26 121.05 2wrj h ALA 90 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wrj h ALA 90 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wrj h ALA 90 CO -0.03 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2wrj n GLY 91 N -1.10 1.14 3.74 0.00 0.00 -0.60 -4.54 105.19 103.84 2wrj n GLY 91 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2wrj n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 92 N -1.44 2.70 0.04 4.61 0.00 -0.54 -4.88 120.51 121.00 2wrj n ALA 92 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 2wrj n ALA 92 Cb 0.00 -2.49 0.27 0.00 0.00 0.00 0.00 19.45 17.23 2wrj n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wrj h ASP 93 N 5.48 0.40 -2.80 0.00 5.19 -1.88 -3.40 116.42 119.40 2wrj h ASP 93 Ca -0.46 -0.11 -0.54 0.00 -0.62 0.00 0.00 57.03 55.30 2wrj h ASP 93 Cb 1.22 -0.11 -0.40 0.00 0.18 0.00 0.00 39.33 40.22 2wrj h ASP 93 CO 0.85 0.60 -0.79 -0.31 -3.12 0.00 0.00 179.24 176.48 2wrj s TYR 94 N -4.61 0.53 0.33 4.55 2.02 -1.21 -5.07 117.35 113.88 2wrj s TYR 94 Ca -0.06 -1.09 0.05 0.00 -0.37 0.00 0.00 57.07 55.60 2wrj s TYR 94 Cb 0.14 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 2wrj s TYR 94 CO 0.77 -0.83 0.47 0.08 -1.57 0.00 0.00 175.55 174.47 2wrj s VAL 95 N 1.88 4.44 -0.42 0.71 1.01 -1.26 -0.61 120.40 126.14 2wrj s VAL 95 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2wrj s VAL 95 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2wrj s VAL 95 CO -0.30 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.16 2wrj n GLY 96 N -1.65 -0.81 0.00 4.51 0.00 -1.24 -4.91 105.19 101.09 2wrj n GLY 96 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wrj n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 97 N 0.00 4.12 0.00 -0.02 0.00 -1.26 -2.45 105.19 105.58 2wrj n GLY 97 Ca 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.84 2wrj n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrj n GLU 98 N 0.00 0.05 -0.17 1.61 1.02 -1.24 -2.15 120.64 119.76 2wrj n GLU 98 Ca 0.00 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.41 2wrj n GLU 98 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 2wrj n GLU 98 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wrj n GLU 99 N -1.41 1.09 0.00 3.49 1.02 -1.26 -3.15 120.64 120.43 2wrj n GLU 99 Ca 0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2wrj n GLU 99 Cb 0.08 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2wrj n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wrj n ILE 100 N 0.55 0.00 0.23 -3.67 2.08 -0.92 -4.80 119.36 112.83 2wrj n ILE 100 Ca 0.04 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.40 2wrj n ILE 100 Cb 0.57 0.04 0.28 0.00 -0.75 0.00 0.00 39.64 39.79 2wrj n ILE 100 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2wrj h ILE 101 N 0.00 0.00 0.08 1.39 5.03 -1.76 -2.89 117.51 119.36 2wrj h ILE 101 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2wrj h ILE 101 Cb 0.04 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.06 2wrj h ILE 101 CO 0.00 0.00 -0.04 -0.61 -0.68 0.00 0.00 178.15 176.82 2wrj h GLN 102 N 0.00 -0.10 -0.88 2.37 5.75 -1.87 -2.14 115.11 118.24 2wrj h GLN 102 Ca 0.00 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 2wrj h GLN 102 Cb 1.12 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 29.56 2wrj h GLN 102 CO 0.00 -0.07 -0.37 1.63 -2.65 0.00 0.00 178.83 177.37 2wrj n LYS 103 N -2.53 -0.23 0.17 1.69 5.02 -1.09 0.18 118.16 121.36 2wrj n LYS 103 Ca -0.01 1.35 0.01 0.00 -2.02 0.00 0.00 58.31 57.64 2wrj n LYS 103 Cb 0.04 -2.00 0.31 0.00 -0.02 0.00 0.00 35.03 33.36 2wrj n LYS 103 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2wrj h ILE 104 N 0.00 1.30 0.00 -0.18 2.04 -1.72 -1.87 117.51 117.08 2wrj h ILE 104 Ca 0.28 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2wrj h ILE 104 Cb 0.50 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2wrj h ILE 104 CO -0.87 0.41 0.00 -0.11 0.00 0.00 0.00 178.15 177.59 2wrj n LEU 105 N -4.04 0.00 -0.07 1.44 7.94 0.48 -2.45 117.00 120.30 2wrj n LEU 105 Ca -0.02 0.36 -0.09 0.00 -1.11 0.00 0.00 56.01 55.16 2wrj n LEU 105 Cb 0.45 -0.36 -0.09 0.00 0.53 0.00 0.00 43.42 43.94 2wrj n LEU 105 CO 0.40 -0.23 -0.98 0.47 -1.11 0.00 0.00 177.39 175.94 2wrj n ASP 106 N -1.36 2.10 0.00 1.96 8.00 -0.56 -5.01 116.55 121.67 2wrj n ASP 106 Ca 0.04 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2wrj n ASP 106 Cb 0.10 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2wrj n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrj n GLY 107 N 2.38 0.00 3.66 0.44 0.00 -1.02 -5.13 105.19 105.52 2wrj n GLY 107 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2wrj n GLY 107 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wrj s TRP 108 N 0.00 1.35 0.00 1.61 -0.00 -1.12 -4.84 118.94 115.93 2wrj s TRP 108 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 56.10 55.72 2wrj s TRP 108 Cb 0.00 -4.21 0.00 0.00 -0.00 0.00 0.00 33.47 29.26 2wrj s TRP 108 CO 0.00 -5.38 0.59 -1.33 -0.00 0.00 0.00 176.95 170.83 2wrj n MET 109 N 7.51 0.84 -0.75 5.86 2.81 -1.26 -4.33 117.12 127.80 2wrj n MET 109 Ca 0.20 -0.74 -0.24 0.00 -1.81 0.00 0.00 57.70 55.11 2wrj n MET 109 Cb 0.41 -0.71 -0.02 0.00 -0.71 0.00 0.00 33.22 32.19 2wrj n MET 109 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wrj n ASP 110 N -0.16 4.34 -3.79 7.83 8.00 -1.26 -4.78 116.55 126.73 2wrj n ASP 110 Ca 0.00 -2.35 -0.13 0.00 0.71 0.00 0.00 54.79 53.02 2wrj n ASP 110 Cb 0.33 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.27 2wrj n ASP 110 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wrj s PHE 111 N 3.71 -0.17 0.00 1.24 -0.12 -1.26 -5.09 117.98 116.28 2wrj s PHE 111 Ca 0.40 0.34 0.00 0.00 -0.05 0.00 0.00 56.93 57.61 2wrj s PHE 111 Cb 0.10 0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 2wrj s PHE 111 CO -0.01 -0.28 0.00 -0.25 -0.05 0.00 0.00 175.22 174.62 2wrj n ASP 112 N 1.88 0.00 -4.95 1.98 9.92 -0.94 -4.99 116.55 119.44 2wrj n ASP 112 Ca -0.19 0.26 -0.24 0.00 -0.53 0.00 0.00 54.79 54.09 2wrj n ASP 112 Cb 0.57 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 2wrj n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wrj s ALA 113 N -3.25 3.94 -0.26 2.24 0.00 -1.13 -4.93 121.76 118.37 2wrj s ALA 113 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2wrj s ALA 113 Cb 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 23.12 21.43 2wrj s ALA 113 CO 0.00 0.42 0.18 0.08 0.00 0.00 0.00 175.76 176.44 2wrj s VAL 114 N -1.84 -0.20 0.27 0.00 1.01 -1.26 -0.17 120.40 118.21 2wrj s VAL 114 Ca 0.35 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2wrj s VAL 114 Cb -0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2wrj s VAL 114 CO 0.29 -0.50 0.01 0.68 0.00 0.00 0.00 175.10 175.57 2wrj s VAL 115 N 2.21 3.42 0.07 2.92 -7.23 -0.61 -3.86 120.40 117.32 2wrj s VAL 115 Ca 0.08 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.09 2wrj s VAL 115 Cb -0.15 -2.86 0.07 0.00 0.56 0.00 0.00 36.38 33.99 2wrj s VAL 115 CO -0.27 -0.36 0.61 0.00 -0.31 0.00 0.00 175.10 174.76 2wrj s ALA 116 N -2.33 -1.60 0.08 1.32 0.00 -1.02 -3.26 121.76 114.95 2wrj s ALA 116 Ca 0.32 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2wrj s ALA 116 Cb -0.06 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 2wrj s ALA 116 CO 0.20 -0.59 0.42 0.95 0.00 0.00 0.00 175.76 176.74 2wrj s THR 117 N -2.69 5.05 0.06 0.00 -4.23 -1.16 -3.22 115.64 109.46 2wrj s THR 117 Ca -0.04 0.54 0.18 0.00 -1.18 0.00 0.00 61.69 61.18 2wrj s THR 117 Cb -0.01 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.35 2wrj s THR 117 CO -0.03 0.30 1.48 -0.65 -0.54 0.00 0.00 174.62 175.18 2wrj h PRO 118 N 3.76 0.00 -0.12 3.99 0.11 -1.92 -0.81 132.00 137.00 2wrj h PRO 118 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wrj h PRO 118 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wrj h PRO 118 CO 0.66 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2wrj n ASP 119 N -2.23 1.16 -1.00 -2.05 5.68 -1.26 -3.29 116.55 113.56 2wrj n ASP 119 Ca -0.01 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 2wrj n ASP 119 Cb 0.26 -0.08 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2wrj n ASP 119 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2wrj n VAL 120 N -0.00 0.00 0.12 2.12 0.24 -0.32 -4.88 118.33 115.60 2wrj n VAL 120 Ca 0.15 -0.42 0.01 0.00 -2.04 0.00 0.00 64.34 62.05 2wrj n VAL 120 Cb 0.24 0.65 -0.00 0.00 -1.47 0.00 0.00 33.84 33.26 2wrj n VAL 120 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2wrj h MET 121 N 0.42 0.00 -0.09 7.34 2.86 -1.51 -3.27 114.93 120.67 2wrj h MET 121 Ca -0.19 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2wrj h MET 121 Cb 1.56 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 2wrj h MET 121 CO -0.01 0.51 -0.27 0.78 1.06 0.00 0.00 176.91 178.98 2wrj h GLY 122 N 3.49 -1.36 1.47 8.32 0.00 -1.90 0.59 103.07 113.69 2wrj h GLY 122 Ca -0.03 0.70 -0.12 0.00 0.00 0.00 0.00 47.33 47.88 2wrj h GLY 122 CO 0.07 -0.40 -0.32 0.00 0.00 0.00 0.00 176.54 175.88 2wrj h ALA 123 N -0.84 0.92 -0.07 3.60 0.00 -1.99 -2.86 119.26 118.02 2wrj h ALA 123 Ca 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2wrj h ALA 123 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wrj h ALA 123 CO -0.23 0.62 -0.28 0.28 0.00 0.00 0.00 179.25 179.64 2wrj h VAL 124 N 0.51 1.23 0.05 0.00 2.07 -1.53 -0.12 116.25 118.46 2wrj h VAL 124 Ca 0.06 -1.10 -0.23 0.00 0.82 0.00 0.00 66.70 66.25 2wrj h VAL 124 Cb 0.80 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2wrj h VAL 124 CO 0.07 0.32 -1.04 1.23 0.02 0.00 0.00 177.57 178.17 2wrj h GLY 125 N 0.95 0.24 0.00 2.17 0.00 0.37 -3.34 103.07 103.46 2wrj h GLY 125 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2wrj h GLY 125 CO 0.04 0.45 -0.55 1.44 0.00 0.00 0.00 176.54 177.92 2wrj n SER 126 N -3.57 1.12 -0.52 0.19 7.64 -1.10 -4.10 113.62 113.28 2wrj n SER 126 Ca -0.05 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2wrj n SER 126 Cb 0.91 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2wrj n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wrj n LYS 127 N -3.62 0.28 -1.11 1.43 5.02 -0.07 -2.40 118.16 117.69 2wrj n LYS 127 Ca -0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 2wrj n LYS 127 Cb 0.29 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 2wrj n LYS 127 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrj n LEU 128 N 0.38 -0.96 -0.49 -0.35 4.77 -1.24 -4.91 117.00 114.21 2wrj n LEU 128 Ca 0.00 -1.94 0.11 0.00 -0.03 0.00 0.00 56.01 54.15 2wrj n LEU 128 Cb 0.07 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2wrj n LEU 128 CO 0.00 1.44 0.33 0.61 -1.33 0.00 0.00 177.39 178.44 2wrj n GLY 129 N -0.14 0.01 0.80 -0.72 0.00 -1.01 -3.33 105.19 100.80 2wrj n GLY 129 Ca -0.25 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2wrj n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 130 N -0.04 2.87 0.00 1.61 3.00 -1.26 -3.20 116.66 119.64 2wrj n ARG 130 Ca 0.09 -2.64 0.00 0.00 -0.00 0.00 0.00 57.85 55.30 2wrj n ARG 130 Cb 0.46 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.23 2wrj n ARG 130 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2wrj n ILE 131 N -0.31 0.00 -0.20 5.15 5.41 -1.26 -4.81 119.36 123.34 2wrj n ILE 131 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2wrj n ILE 131 Cb 0.77 0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.73 2wrj n ILE 131 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wrj n LEU 132 N -0.47 1.13 -0.08 1.39 4.77 -1.21 -4.65 117.00 117.88 2wrj n LEU 132 Ca 0.00 -1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 2wrj n LEU 132 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2wrj n LEU 132 CO 0.00 0.28 -0.37 1.23 -1.33 0.00 0.00 177.39 177.20 2wrj h GLY 133 N 0.00 0.00 1.25 -0.72 0.00 -1.77 1.41 103.07 103.23 2wrj h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wrj h GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 176.54 175.49 2wrj n PRO 134 N -4.57 0.25 0.00 4.80 -0.02 -1.26 -0.91 135.00 133.30 2wrj n PRO 134 Ca -0.15 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2wrj n PRO 134 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wrj n PRO 134 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrj n ARG 135 N -1.12 1.36 0.00 -0.52 3.00 -1.26 -4.99 116.66 113.13 2wrj n ARG 135 Ca 0.07 -0.97 0.00 0.00 -0.01 0.00 0.00 57.85 56.93 2wrj n ARG 135 Cb 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 32.46 31.67 2wrj n ARG 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrj n GLY 136 N -0.26 0.44 0.20 -0.13 0.00 -0.08 -4.75 105.19 100.61 2wrj n GLY 136 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2wrj n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrj h LEU 137 N 0.00 0.00 -9.12 0.99 3.38 -1.21 -3.42 115.31 105.93 2wrj h LEU 137 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2wrj h LEU 137 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wrj h LEU 137 CO 0.00 0.00 1.25 -0.22 0.09 0.00 0.00 178.44 179.56 2wrj s LEU 138 N -4.51 3.94 -0.45 1.67 1.98 0.46 -4.37 118.68 117.40 2wrj s LEU 138 Ca -0.02 2.00 -0.45 0.00 -2.89 0.00 0.00 54.13 52.77 2wrj s LEU 138 Cb 0.05 -3.53 -0.19 0.00 0.66 0.00 0.00 46.19 43.19 2wrj s LEU 138 CO 0.17 -1.38 1.73 -2.65 -1.89 0.00 0.00 176.35 172.33 2wrj n PRO 139 N 7.90 0.28 -4.90 0.98 -0.02 -1.25 -4.91 135.00 133.08 2wrj n PRO 139 Ca 0.22 0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 2wrj n PRO 139 Cb 0.44 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 32.10 2wrj n PRO 139 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wrj s ASN 140 N 3.72 2.26 0.31 2.55 3.84 -1.26 -4.78 114.94 121.59 2wrj s ASN 140 Ca 1.06 -0.37 0.04 0.00 0.21 0.00 0.00 52.86 53.80 2wrj s ASN 140 Cb -1.39 -0.54 0.64 0.00 -0.55 0.00 0.00 41.25 39.42 2wrj s ASN 140 CO 0.75 0.18 1.86 -0.65 -2.79 0.00 0.00 177.10 176.46 2wrj h PRO 141 N 6.09 0.87 -0.63 0.43 0.11 -1.91 0.27 132.00 137.24 2wrj h PRO 141 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wrj h PRO 141 Cb 1.17 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wrj h PRO 141 CO 0.48 0.57 0.00 1.63 -0.21 0.00 0.00 178.00 180.47 2wrj n LYS 142 N -4.57 1.77 0.00 1.05 5.02 -1.26 -3.00 118.16 117.17 2wrj n LYS 142 Ca 0.17 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 2wrj n LYS 142 Cb 0.36 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2wrj n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrj n ALA 143 N 0.11 1.79 -3.22 7.82 0.00 0.94 -4.09 120.51 123.86 2wrj n ALA 143 Ca 0.07 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.79 2wrj n ALA 143 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 2wrj n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 144 N -0.09 -0.53 0.07 0.00 0.00 -1.04 -4.85 105.19 98.75 2wrj n GLY 144 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2wrj n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrj n THR 145 N -4.60 0.00 -4.04 2.61 -1.04 -1.04 -4.94 114.28 101.24 2wrj n THR 145 Ca -0.07 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.05 61.19 2wrj n THR 145 Cb 0.60 1.04 -0.15 0.00 -1.82 0.00 0.00 70.33 69.99 2wrj n THR 145 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wrj s VAL 146 N -1.06 2.04 0.00 12.58 1.01 -1.24 -2.44 120.40 131.29 2wrj s VAL 146 Ca 0.03 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.11 2wrj s VAL 146 Cb 0.04 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.31 2wrj s VAL 146 CO 0.14 -0.10 1.27 -0.83 0.00 0.00 0.00 175.10 175.58 2wrj s GLY 147 N 1.15 -0.26 -0.08 4.51 0.00 -1.20 -4.80 107.32 106.64 2wrj s GLY 147 Ca -0.07 0.35 0.19 0.00 0.00 0.00 0.00 44.72 45.19 2wrj s GLY 147 CO -0.06 2.51 0.40 0.69 0.00 0.00 0.00 173.10 176.64 2wrj n PHE 148 N -0.67 0.25 -0.65 1.90 3.72 -1.26 -3.99 117.46 116.75 2wrj n PHE 148 Ca -0.03 0.08 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 2wrj n PHE 148 Cb 0.61 -0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 2wrj n PHE 148 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2wrj n ASN 149 N -2.62 5.36 0.15 4.37 2.04 -1.26 -4.52 115.26 118.78 2wrj n ASN 149 Ca -0.17 -2.45 0.17 0.00 -0.44 0.00 0.00 54.58 51.68 2wrj n ASN 149 Cb 0.88 -1.21 0.58 0.00 -2.53 0.00 0.00 39.78 37.51 2wrj n ASN 149 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 2wrj h ILE 150 N 1.27 0.12 -0.10 1.53 6.09 -1.96 0.11 117.51 124.57 2wrj h ILE 150 Ca 0.06 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.51 2wrj h ILE 150 Cb 1.13 0.41 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 2wrj h ILE 150 CO 0.09 0.00 -0.10 1.23 -3.07 0.00 0.00 178.15 176.30 2wrj h GLY 151 N 0.00 0.26 1.04 8.18 0.00 -1.79 0.27 103.07 111.03 2wrj h GLY 151 Ca 0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2wrj h GLY 151 CO -0.00 0.24 0.05 -2.09 0.00 0.00 0.00 176.54 174.74 2wrj h GLU 152 N -0.18 1.00 0.77 4.80 4.81 -1.17 -2.41 114.58 122.20 2wrj h GLU 152 Ca 0.02 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2wrj h GLU 152 Cb 0.62 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.90 2wrj h GLU 152 CO 0.02 0.96 -0.37 0.82 -0.73 0.00 0.00 179.01 179.72 2wrj h ILE 153 N 0.89 0.07 -1.01 2.32 2.04 -1.32 0.47 117.51 120.98 2wrj h ILE 153 Ca 0.17 -0.21 0.24 0.00 1.00 0.00 0.00 64.86 66.06 2wrj h ILE 153 Cb 0.48 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.54 2wrj h ILE 153 CO 0.02 0.01 0.62 0.40 0.00 0.00 0.00 178.15 179.20 2wrj h ILE 154 N -1.23 0.57 -0.10 -0.67 2.04 -0.47 0.63 117.51 118.28 2wrj h ILE 154 Ca -0.11 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.36 2wrj h ILE 154 Cb 0.80 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2wrj h ILE 154 CO 0.17 0.10 -0.75 0.03 0.00 0.00 0.00 178.15 177.70 2wrj h ARG 155 N 0.55 0.69 0.00 2.37 3.08 -1.34 -3.01 114.38 116.72 2wrj h ARG 155 Ca 0.61 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2wrj h ARG 155 Cb 1.25 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 2wrj h ARG 155 CO -0.39 1.21 -0.03 1.49 -1.07 0.00 0.00 179.97 181.18 2wrj h GLU 156 N 0.36 0.00 0.06 0.04 4.81 0.12 -0.72 114.58 119.26 2wrj h GLU 156 Ca -0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wrj h GLU 156 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2wrj h GLU 156 CO 0.15 0.03 -0.03 0.82 -0.73 0.00 0.00 179.01 179.25 2wrj h ILE 157 N 0.00 0.00 -0.29 2.32 2.04 -0.99 -3.19 117.51 117.39 2wrj h ILE 157 Ca -0.00 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.74 2wrj h ILE 157 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2wrj h ILE 157 CO 0.00 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.63 2wrj h LYS 158 N -0.29 0.00 -0.42 2.37 1.57 -1.51 -0.20 116.57 118.09 2wrj h LYS 158 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2wrj h LYS 158 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 2wrj h LYS 158 CO 0.01 0.00 0.11 0.00 -0.57 0.00 0.00 179.45 179.00 2wrj h ALA 159 N 1.54 0.47 0.00 3.86 0.00 -1.19 -3.46 119.26 120.49 2wrj h ALA 159 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wrj h ALA 159 Cb 0.87 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wrj h ALA 159 CO -0.00 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.37 2wrj n GLY 160 N -1.25 0.03 3.79 0.00 0.00 -0.10 -4.72 105.19 102.94 2wrj n GLY 160 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2wrj n GLY 160 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wrj s ARG 161 N 0.00 3.90 0.22 1.61 3.52 -1.12 -3.01 118.95 124.07 2wrj s ARG 161 Ca 0.00 -0.12 0.10 0.00 -0.13 0.00 0.00 55.73 55.58 2wrj s ARG 161 Cb 0.00 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2wrj s ARG 161 CO 0.00 0.50 -0.09 0.96 -0.81 0.00 0.00 175.30 175.86 2wrj s ILE 162 N -0.23 3.14 -0.21 4.11 -4.36 -0.52 -4.91 121.20 118.23 2wrj s ILE 162 Ca 0.12 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2wrj s ILE 162 Cb -0.12 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.00 2wrj s ILE 162 CO 0.02 -0.22 -0.11 -0.70 0.24 0.00 0.00 174.94 174.16 2wrj s GLU 163 N -3.16 3.14 0.23 0.37 2.12 -1.26 -1.81 118.70 118.33 2wrj s GLU 163 Ca 0.27 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.88 2wrj s GLU 163 Cb -0.08 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 2wrj s GLU 163 CO 0.16 -0.23 0.36 -0.59 -0.54 0.00 0.00 175.26 174.43 2wrj s PHE 164 N 1.38 3.46 -0.30 5.30 -0.12 -0.49 -4.98 117.98 122.23 2wrj s PHE 164 Ca 0.05 0.03 -0.15 0.00 -0.05 0.00 0.00 56.93 56.81 2wrj s PHE 164 Cb -0.14 -1.61 0.18 0.00 -0.63 0.00 0.00 43.02 40.81 2wrj s PHE 164 CO -0.08 0.42 1.15 0.50 -0.05 0.00 0.00 175.22 177.16 2wrj s ARG 165 N -3.89 0.08 0.71 1.99 3.52 -1.26 -2.90 118.95 117.20 2wrj s ARG 165 Ca 0.35 0.11 -0.17 0.00 -0.13 0.00 0.00 55.73 55.89 2wrj s ARG 165 Cb -0.09 0.06 -0.08 0.00 -1.56 0.00 0.00 34.95 33.27 2wrj s ARG 165 CO 0.29 -0.12 0.15 0.27 -0.81 0.00 0.00 175.30 175.09 2wrj n ASN 166 N 5.27 -2.59 -4.90 -2.12 6.94 -1.12 -4.75 115.26 111.98 2wrj n ASN 166 Ca 0.01 0.54 -0.20 0.00 -0.02 0.00 0.00 54.58 54.91 2wrj n ASN 166 Cb 0.56 -1.05 -0.02 0.00 -2.36 0.00 0.00 39.78 36.91 2wrj n ASN 166 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 2wrj s ASP 167 N -1.28 5.30 0.00 0.53 1.47 -0.77 -4.95 116.67 116.96 2wrj s ASP 167 Ca 0.59 -0.57 0.00 0.00 1.18 0.00 0.00 52.55 53.75 2wrj s ASP 167 Cb -0.36 -0.76 0.00 0.00 -0.34 0.00 0.00 42.92 41.46 2wrj s ASP 167 CO 0.64 -0.56 0.54 2.29 0.68 0.00 0.00 175.17 178.76 2wrj n LYS 168 N -1.55 0.00 0.01 2.11 2.85 -1.26 0.34 118.16 120.66 2wrj n LYS 168 Ca 0.02 0.15 0.04 0.00 -1.05 0.00 0.00 58.31 57.47 2wrj n LYS 168 Cb 0.60 -1.60 -0.11 0.00 -0.65 0.00 0.00 35.03 33.27 2wrj n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2wrj n THR 169 N -1.04 0.75 -0.21 0.58 -2.24 -1.26 -4.75 114.28 106.10 2wrj n THR 169 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2wrj n THR 169 Cb 0.10 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2wrj n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrj n GLY 170 N 1.38 1.73 3.23 3.38 0.00 0.15 -4.82 105.19 110.25 2wrj n GLY 170 Ca -0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2wrj n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 171 N -2.01 1.62 0.22 4.61 0.00 -1.25 -2.41 121.76 122.54 2wrj s ALA 171 Ca 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.02 2wrj s ALA 171 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2wrj s ALA 171 CO 0.00 0.34 -0.20 -1.50 0.00 0.00 0.00 175.76 174.40 2wrj s ILE 172 N -0.91 2.20 0.05 0.00 2.07 -0.33 -1.85 121.20 122.43 2wrj s ILE 172 Ca 0.06 -2.17 -0.01 0.00 -1.41 0.00 0.00 60.65 57.11 2wrj s ILE 172 Cb -0.09 -2.12 -0.04 0.00 0.13 0.00 0.00 42.46 40.35 2wrj s ILE 172 CO 0.02 -0.33 -0.02 -1.00 -1.91 0.00 0.00 174.94 171.70 2wrj s HIS 173 N -2.25 0.49 -0.30 3.50 3.76 -1.26 -1.96 115.29 117.27 2wrj s HIS 173 Ca 0.23 -1.02 -0.17 0.00 -0.15 0.00 0.00 55.06 53.95 2wrj s HIS 173 Cb -0.05 -0.36 0.20 0.00 1.11 0.00 0.00 32.58 33.47 2wrj s HIS 173 CO 0.11 -0.38 1.24 0.00 -0.85 0.00 0.00 174.74 174.85 2wrj s ALA 174 N -3.83 -2.87 0.37 -1.40 0.00 -0.83 -4.62 121.76 108.58 2wrj s ALA 174 Ca 0.06 1.93 -0.27 0.00 0.00 0.00 0.00 51.96 53.68 2wrj s ALA 174 Cb 0.07 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.01 2wrj s ALA 174 CO -0.10 -0.59 1.25 -1.25 0.00 0.00 0.00 175.76 175.08 2wrj s PRO 175 N 1.50 4.19 -0.02 0.00 0.04 -1.26 -1.38 135.00 138.06 2wrj s PRO 175 Ca -0.05 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2wrj s PRO 175 Cb -0.02 -2.89 0.04 0.00 0.04 0.00 0.00 34.50 31.67 2wrj s PRO 175 CO -0.13 -0.28 0.87 1.33 0.04 0.00 0.00 177.00 178.83 2wrj n VAL 176 N 0.44 0.32 -1.33 -0.36 0.24 0.03 -4.91 118.33 112.76 2wrj n VAL 176 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2wrj n VAL 176 Cb 0.44 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 2wrj n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrj n GLY 177 N -0.22 0.26 3.50 7.63 0.00 -1.23 -4.83 105.19 110.30 2wrj n GLY 177 Ca 0.02 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 2wrj n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 178 N -2.00 1.85 0.09 1.61 -0.14 -1.26 -0.44 119.74 119.46 2wrj s LYS 178 Ca 0.00 -2.10 -0.25 0.00 -1.36 0.00 0.00 55.97 52.26 2wrj s LYS 178 Cb 0.00 -0.71 -0.13 0.00 -1.68 0.00 0.00 37.83 35.30 2wrj s LYS 178 CO 0.00 -0.39 1.71 0.00 -0.76 0.00 0.00 175.35 175.91 2wrj h ALA 179 N 1.87 -0.18 -0.97 5.17 0.00 -1.13 -2.86 119.26 121.17 2wrj h ALA 179 Ca -0.37 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 54.75 2wrj h ALA 179 Cb 1.27 0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.99 2wrj h ALA 179 CO 0.61 -0.61 -0.09 -1.13 0.00 0.00 0.00 179.25 178.03 2wrj n SER 180 N -5.20 -0.21 -4.12 0.00 3.41 -1.26 -4.60 113.62 101.64 2wrj n SER 180 Ca -0.08 1.66 -0.54 0.00 -0.26 0.00 0.00 58.87 59.65 2wrj n SER 180 Cb 0.12 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 2wrj n SER 180 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wrj n PHE 181 N -5.51 0.60 -0.82 7.33 3.01 -1.08 -4.91 117.46 116.07 2wrj n PHE 181 Ca 0.20 0.97 -0.29 0.00 1.01 0.00 0.00 57.45 59.34 2wrj n PHE 181 Cb 0.64 -1.91 0.21 0.00 -0.01 0.00 0.00 39.48 38.41 2wrj n PHE 181 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2wrj s PRO 182 N 0.02 -0.08 0.19 -1.08 0.02 -1.26 -4.76 135.00 128.05 2wrj s PRO 182 Ca 0.83 0.82 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 2wrj s PRO 182 Cb -1.16 -1.65 0.10 0.00 0.02 0.00 0.00 34.50 31.80 2wrj s PRO 182 CO 0.52 -3.16 1.73 -1.35 -0.33 0.00 0.00 177.00 174.42 2wrj h PRO 183 N -2.21 1.02 0.00 5.54 0.11 -1.91 -2.56 132.00 131.99 2wrj h PRO 183 Ca -0.56 -0.21 -0.05 0.00 0.11 0.00 0.00 66.00 65.29 2wrj h PRO 183 Cb 1.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2wrj h PRO 183 CO 0.52 0.87 -0.25 0.93 -0.21 0.00 0.00 178.00 179.86 2wrj h GLU 184 N 0.95 0.00 0.01 1.05 3.07 -1.96 -2.81 114.58 114.90 2wrj h GLU 184 Ca 0.22 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2wrj h GLU 184 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2wrj h GLU 184 CO -0.01 0.25 -0.01 0.87 -1.40 0.00 0.00 179.01 178.71 2wrj h LYS 185 N 0.00 -0.02 -0.93 2.33 6.56 -1.86 -3.02 116.57 119.64 2wrj h LYS 185 Ca -0.00 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.72 2wrj h LYS 185 Cb 0.70 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.22 2wrj h LYS 185 CO 0.03 -0.01 -0.41 1.28 -2.06 0.00 0.00 179.45 178.28 2wrj n LEU 186 N -2.28 -0.70 -0.27 2.94 4.77 -0.99 -0.98 117.00 119.50 2wrj n LEU 186 Ca -0.00 1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 57.50 2wrj n LEU 186 Cb 0.01 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2wrj n LEU 186 CO 0.01 -1.43 0.49 0.00 -1.33 0.00 0.00 177.39 175.13 2wrj h ALA 187 N 1.08 -0.55 -0.62 -1.18 0.00 -1.63 0.48 119.26 116.84 2wrj h ALA 187 Ca 0.28 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2wrj h ALA 187 Cb 0.51 1.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2wrj h ALA 187 CO -0.91 -0.86 0.42 -0.44 0.00 0.00 0.00 179.25 177.46 2wrj h ASP 188 N -0.12 0.39 -0.13 0.00 3.32 -0.92 0.20 116.42 119.16 2wrj h ASP 188 Ca 0.11 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2wrj h ASP 188 Cb 0.40 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2wrj h ASP 188 CO -0.69 0.23 0.02 0.78 -1.72 0.00 0.00 179.24 177.86 2wrj h ASN 189 N 0.43 0.21 -0.20 6.45 4.21 0.11 -1.75 115.58 125.04 2wrj h ASN 189 Ca 0.29 -0.27 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 2wrj h ASN 189 Cb 0.55 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2wrj h ASN 189 CO -0.08 0.43 -0.06 0.40 -1.29 0.00 0.00 177.43 176.82 2wrj h ILE 190 N -0.02 1.22 -0.35 2.81 1.08 0.83 -0.83 117.51 122.24 2wrj h ILE 190 Ca 0.04 -0.92 -0.06 0.00 -0.39 0.00 0.00 64.86 63.53 2wrj h ILE 190 Cb 0.31 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2wrj h ILE 190 CO 0.00 0.31 -0.04 0.03 -0.69 0.00 0.00 178.15 177.76 2wrj h ARG 191 N 0.50 0.57 0.04 2.37 2.47 -0.46 -1.97 114.38 117.90 2wrj h ARG 191 Ca 0.10 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2wrj h ARG 191 Cb 0.42 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2wrj h ARG 191 CO 0.02 0.62 -0.02 0.00 0.56 0.00 0.00 179.97 181.15 2wrj h ALA 192 N 1.42 -0.06 -0.11 0.04 0.00 -0.65 -2.10 119.26 117.80 2wrj h ALA 192 Ca 0.11 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2wrj h ALA 192 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wrj h ALA 192 CO 0.02 -0.14 0.15 0.35 0.00 0.00 0.00 179.25 179.62 2wrj h PHE 193 N -0.84 0.00 0.01 0.00 3.57 -1.14 0.41 116.94 118.96 2wrj h PHE 193 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wrj h PHE 193 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2wrj h PHE 193 CO 0.16 0.00 -0.14 0.82 -2.23 0.00 0.00 178.31 176.92 2wrj h ILE 194 N 0.00 1.65 -0.37 1.41 1.08 -1.36 -3.03 117.51 116.89 2wrj h ILE 194 Ca 0.05 -2.10 0.08 0.00 -0.39 0.00 0.00 64.86 62.50 2wrj h ILE 194 Cb 0.35 3.05 -0.09 0.00 -3.07 0.00 0.00 36.82 37.06 2wrj h ILE 194 CO -0.00 0.56 -0.25 0.03 -0.69 0.00 0.00 178.15 177.80 2wrj h ARG 195 N -0.74 -0.18 -0.55 2.37 3.08 -0.17 -1.82 114.38 116.36 2wrj h ARG 195 Ca -0.02 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2wrj h ARG 195 Cb 0.99 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 2wrj h ARG 195 CO 0.03 -0.12 -0.47 0.00 -1.07 0.00 0.00 179.97 178.33 2wrj h ALA 196 N 0.96 -0.60 0.20 0.04 0.00 -0.34 -0.57 119.26 118.95 2wrj h ALA 196 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wrj h ALA 196 Cb 0.47 1.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2wrj h ALA 196 CO -0.48 -0.87 -0.33 -0.07 0.00 0.00 0.00 179.25 177.49 2wrj h LEU 197 N -0.19 -0.96 -1.34 0.00 3.38 -1.31 -0.60 115.31 114.29 2wrj h LEU 197 Ca 0.09 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.41 2wrj h LEU 197 Cb 0.43 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2wrj h LEU 197 CO -0.62 -0.39 1.02 -0.33 0.09 0.00 0.00 178.44 178.21 2wrj h GLU 198 N -0.56 0.00 0.00 1.13 5.08 -0.93 2.20 114.58 121.49 2wrj h GLU 198 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2wrj h GLU 198 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2wrj h GLU 198 CO -0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.70 2wrj h ALA 199 N 0.81 0.95 -0.46 3.43 0.00 0.52 -3.19 119.26 121.32 2wrj h ALA 199 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wrj h ALA 199 Cb 2.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.21 2wrj h ALA 199 CO -0.00 0.25 0.00 0.72 0.00 0.00 0.00 179.25 180.21 2wrj n HIS 200 N -3.26 1.66 -1.70 0.00 8.25 0.74 -4.98 115.22 115.94 2wrj n HIS 200 Ca 0.01 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 56.27 2wrj n HIS 200 Cb 0.48 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 2wrj n HIS 200 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2wrj s LYS 201 N -2.77 3.86 0.55 -0.41 2.20 -1.19 -4.89 119.74 117.08 2wrj s LYS 201 Ca 0.50 2.38 -0.19 0.00 -0.36 0.00 0.00 55.97 58.30 2wrj s LYS 201 Cb 0.39 -4.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 2wrj s LYS 201 CO 0.14 -1.27 0.70 -2.30 -0.36 0.00 0.00 175.35 172.25 2wrj n PRO 202 N 7.85 0.71 0.10 4.03 -0.02 -1.26 -4.91 135.00 141.50 2wrj n PRO 202 Ca 0.22 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 2wrj n PRO 202 Cb 0.42 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 2wrj n PRO 202 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wrj h GLU 203 N 0.50 -0.37 -1.38 -0.52 4.39 -1.90 -2.30 114.58 113.00 2wrj h GLU 203 Ca -0.46 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2wrj h GLU 203 Cb 1.38 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2wrj h GLU 203 CO 0.50 -0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.51 2wrj n GLY 204 N -1.22 1.75 3.50 -3.84 0.00 -1.26 -4.78 105.19 99.35 2wrj n GLY 204 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2wrj n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 205 N 0.23 3.11 0.10 4.61 0.00 -0.87 -5.02 121.76 123.91 2wrj s ALA 205 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2wrj s ALA 205 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2wrj s ALA 205 CO 0.00 -2.59 0.25 -1.59 0.00 0.00 0.00 175.76 171.83 2wrj s LYS 206 N 4.13 3.46 0.00 0.00 -2.85 -1.26 -4.95 119.74 118.27 2wrj s LYS 206 Ca 0.28 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2wrj s LYS 206 Cb -0.14 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 2wrj s LYS 206 CO 0.16 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.58 2wrj n GLY 207 N 0.02 -0.32 3.64 0.59 0.00 -1.26 -4.64 105.19 103.22 2wrj n GLY 207 Ca -0.05 -1.78 -0.45 0.00 0.00 0.00 0.00 46.02 43.74 2wrj n GLY 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrj n THR 208 N -0.30 0.57 0.17 2.61 -1.04 -1.26 -4.90 114.28 110.13 2wrj n THR 208 Ca 0.00 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.05 61.72 2wrj n THR 208 Cb 0.00 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.25 2wrj n THR 208 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2wrj h PHE 209 N 11.53 -0.41 -1.80 -1.42 3.57 -1.89 -3.02 116.94 123.50 2wrj h PHE 209 Ca -0.46 -0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.36 2wrj h PHE 209 Cb 1.25 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.99 2wrj h PHE 209 CO 0.93 -0.26 1.32 -0.51 -2.23 0.00 0.00 178.31 177.57 2wrj s LEU 210 N -6.53 4.49 0.07 0.59 1.43 -1.26 0.37 118.68 117.83 2wrj s LEU 210 Ca -0.07 -2.18 -0.19 0.00 -1.03 0.00 0.00 54.13 50.67 2wrj s LEU 210 Cb 0.01 -2.47 -0.11 0.00 0.03 0.00 0.00 46.19 43.65 2wrj s LEU 210 CO 0.20 -1.12 1.42 -0.09 0.23 0.00 0.00 176.35 177.00 2wrj h ARG 211 N 8.50 0.45 -2.75 1.70 2.43 -1.46 -3.45 114.38 119.80 2wrj h ARG 211 Ca 0.25 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 2wrj h ARG 211 Cb 0.96 -0.01 -0.30 0.00 -0.42 0.00 0.00 29.97 30.20 2wrj h ARG 211 CO 1.27 0.74 -0.45 -1.54 -1.51 0.00 0.00 179.97 178.48 2wrj s SER 212 N -6.13 -0.01 -0.10 -3.80 1.04 -0.93 -4.98 113.70 98.80 2wrj s SER 212 Ca -0.14 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.08 2wrj s SER 212 Cb 0.07 0.87 -0.00 0.00 0.10 0.00 0.00 66.02 67.06 2wrj s SER 212 CO 0.76 -0.22 -0.24 -0.69 0.98 0.00 0.00 173.24 173.83 2wrj s VAL 213 N 2.22 2.03 0.17 5.02 1.01 -1.26 -0.69 120.40 128.90 2wrj s VAL 213 Ca -0.02 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.03 2wrj s VAL 213 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2wrj s VAL 213 CO -0.10 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.08 2wrj s TYR 214 N 0.31 1.70 -0.06 5.22 1.51 0.30 -1.27 117.35 125.07 2wrj s TYR 214 Ca -0.18 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 2wrj s TYR 214 Cb -0.18 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 2wrj s TYR 214 CO 0.08 0.31 -0.17 0.08 -1.11 0.00 0.00 175.55 174.75 2wrj s VAL 215 N -2.44 1.42 0.33 0.71 1.01 0.98 -1.62 120.40 120.78 2wrj s VAL 215 Ca 0.17 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2wrj s VAL 215 Cb -0.04 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2wrj s VAL 215 CO 0.06 0.41 0.46 0.28 0.00 0.00 0.00 175.10 176.31 2wrj s THR 216 N 0.24 0.00 0.52 3.92 -1.32 -0.83 1.00 115.64 119.17 2wrj s THR 216 Ca -0.08 -1.60 0.06 0.00 -1.21 0.00 0.00 61.69 58.85 2wrj s THR 216 Cb -0.13 -2.58 0.03 0.00 -1.51 0.00 0.00 72.50 68.30 2wrj s THR 216 CO 0.03 0.00 0.37 0.42 -2.21 0.00 0.00 174.62 173.24 2wrj s THR 217 N -3.22 1.76 0.03 5.08 -4.23 -1.26 -1.15 115.64 112.65 2wrj s THR 217 Ca 0.30 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 59.21 2wrj s THR 217 Cb -0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2wrj s THR 217 CO 0.19 0.00 1.14 0.74 -0.54 0.00 0.00 174.62 176.15 2wrj h THR 218 N 0.84 0.00 0.00 3.99 2.02 -1.02 -3.34 112.91 115.40 2wrj h THR 218 Ca -0.38 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 2wrj h THR 218 Cb 1.30 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2wrj h THR 218 CO 0.59 0.00 -1.40 0.24 0.37 0.00 0.00 175.52 175.32 2wrj h MET 219 N -0.17 0.00 -7.62 6.66 2.86 -1.92 -3.49 114.93 111.25 2wrj h MET 219 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 2wrj h MET 219 Cb 0.18 0.00 0.14 0.00 0.06 0.00 0.00 31.60 31.99 2wrj h MET 219 CO -0.10 0.32 0.34 0.20 1.06 0.00 0.00 176.91 178.74 2wrj s GLY 220 N -4.81 1.64 0.97 8.32 0.00 -1.25 -5.03 107.32 107.16 2wrj s GLY 220 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 2wrj s GLY 220 CO 0.81 -0.17 1.13 2.56 0.00 0.00 0.00 173.10 177.43 2wrj s PRO 221 N -5.56 0.66 0.31 2.90 0.04 -1.26 -4.32 135.00 127.76 2wrj s PRO 221 Ca 0.67 0.28 0.03 0.00 0.04 0.00 0.00 61.00 62.03 2wrj s PRO 221 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2wrj s PRO 221 CO 0.52 -2.52 0.46 -1.54 0.04 0.00 0.00 177.00 173.96 2wrj s SER 222 N -3.89 6.21 -0.24 6.66 1.04 -1.26 -4.34 113.70 117.88 2wrj s SER 222 Ca 0.65 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2wrj s SER 222 Cb -0.15 -1.78 0.06 0.00 0.10 0.00 0.00 66.02 64.25 2wrj s SER 222 CO 0.55 -0.25 -0.03 -0.69 0.98 0.00 0.00 173.24 173.79 2wrj s VAL 223 N -2.16 1.40 0.30 5.02 1.01 0.28 -4.95 120.40 121.31 2wrj s VAL 223 Ca 0.39 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2wrj s VAL 223 Cb -0.09 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 2wrj s VAL 223 CO 0.32 -0.15 1.31 -0.60 0.00 0.00 0.00 175.10 175.99 2wrj s ARG 224 N 1.45 4.36 0.13 2.72 3.52 -1.26 -0.01 118.95 129.86 2wrj s ARG 224 Ca -0.04 2.19 0.01 0.00 -0.13 0.00 0.00 55.73 57.76 2wrj s ARG 224 Cb -0.19 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2wrj s ARG 224 CO -0.07 -0.20 -0.02 0.96 -0.81 0.00 0.00 175.30 175.16 2wrj s ILE 225 N -0.86 0.59 -0.41 4.11 -5.25 -0.39 -2.90 121.20 116.09 2wrj s ILE 225 Ca 0.51 -1.94 -0.18 0.00 -0.99 0.00 0.00 60.65 58.05 2wrj s ILE 225 Cb -0.39 -1.90 0.01 0.00 2.95 0.00 0.00 42.46 43.13 2wrj s ILE 225 CO 0.49 -0.66 0.48 0.21 -1.79 0.00 0.00 174.94 173.67 2wrj s ASN 226 N -3.09 6.23 0.00 4.36 2.47 -0.66 -4.44 114.94 119.81 2wrj s ASN 226 Ca 0.18 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 52.98 2wrj s ASN 226 Cb 0.06 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 2wrj s ASN 226 CO -0.01 -0.57 0.17 -0.81 -3.72 0.00 0.00 177.10 172.15 2wrj n PRO 227 N 5.71 0.00 -2.77 0.43 -0.04 -1.26 -2.60 135.00 134.47 2wrj n PRO 227 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2wrj n PRO 227 Cb 0.48 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2wrj n PRO 227 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wrj n HIS 228 N -0.58 1.52 -1.86 0.54 8.25 -1.26 -5.03 115.22 116.79 2wrj n HIS 228 Ca 0.00 -3.16 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 2wrj n HIS 228 Cb 0.00 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.76 2wrj n HIS 228 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85