#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 h LYS 8 N 0.00 -0.19 0.00 5.55 1.79 -2.05 -3.04 116.57 118.64 2wh3 h LYS 8 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2wh3 h LYS 8 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2wh3 h LYS 8 CO 0.00 -0.12 0.00 -1.91 -1.08 0.00 0.00 179.45 176.34 2wh3 n GLU 9 N -5.42 0.00 -0.28 3.15 4.07 -1.26 -1.74 120.64 119.16 2wh3 n GLU 9 Ca 0.03 0.25 0.01 0.00 -0.06 0.00 0.00 57.16 57.38 2wh3 n GLU 9 Cb 0.35 -0.85 0.07 0.00 -0.06 0.00 0.00 31.44 30.96 2wh3 n GLU 9 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wh3 h LEU 10 N 0.00 -0.90 -0.42 4.31 5.85 -2.01 -0.68 115.31 121.45 2wh3 h LEU 10 Ca 0.00 0.25 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2wh3 h LEU 10 Cb 0.00 0.54 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2wh3 h LEU 10 CO 0.00 -0.28 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.23 2wh3 h LEU 11 N -0.03 -1.74 0.00 2.25 3.38 -1.54 -2.58 115.31 115.05 2wh3 h LEU 11 Ca 0.35 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2wh3 h LEU 11 Cb 0.58 0.73 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2wh3 h LEU 11 CO -0.81 -0.39 0.00 -0.62 0.09 0.00 0.00 178.44 176.71 2wh3 n GLU 12 N -5.39 0.00 0.00 1.13 1.02 -0.27 -0.69 120.64 116.44 2wh3 n GLU 12 Ca -0.02 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 2wh3 n GLU 12 Cb 0.35 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 2wh3 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh3 n ALA 13 N -2.67 1.28 -0.08 0.62 0.00 -1.16 -2.48 120.51 116.01 2wh3 n ALA 13 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2wh3 n ALA 13 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2wh3 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 14 N -1.21 -2.97 1.88 0.00 0.00 0.13 -4.36 105.19 98.67 2wh3 n GLY 14 Ca 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 46.02 46.70 2wh3 n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wh3 n VAL 15 N -3.42 0.00 -2.69 1.61 0.24 -1.25 -5.04 118.33 107.79 2wh3 n VAL 15 Ca 0.00 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.60 2wh3 n VAL 15 Cb 0.05 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.08 2wh3 n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wh3 n HIS 16 N -0.68 3.67 -3.84 6.34 -0.00 -1.03 -4.14 115.22 115.53 2wh3 n HIS 16 Ca -0.11 -3.51 0.01 0.00 -0.00 0.00 0.00 57.72 54.11 2wh3 n HIS 16 Cb 0.66 -0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 2wh3 n HIS 16 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 2wh3 n PHE 17 N -0.37 -0.28 -2.75 4.41 -0.00 -1.26 -4.40 117.46 112.81 2wh3 n PHE 17 Ca 0.35 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.45 57.57 2wh3 n PHE 17 Cb 0.54 0.09 -0.03 0.00 -0.00 0.00 0.00 39.48 40.08 2wh3 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wh3 n GLY 18 N -0.22 -3.80 0.00 4.97 0.00 -1.26 -4.70 105.19 100.18 2wh3 n GLY 18 Ca 0.01 1.20 0.00 0.00 0.00 0.00 0.00 46.02 47.23 2wh3 n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wh3 n HIS 19 N 1.76 -1.25 -0.88 1.61 -0.00 -0.61 -4.89 115.22 110.96 2wh3 n HIS 19 Ca -0.27 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.61 2wh3 n HIS 19 Cb 0.44 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.36 2wh3 n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wh3 n GLU 20 N -0.42 -0.36 -4.36 1.57 1.02 -1.26 -2.73 120.64 114.10 2wh3 n GLU 20 Ca 0.00 -0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 2wh3 n GLU 20 Cb 0.00 -1.12 -0.13 0.00 -0.02 0.00 0.00 31.44 30.17 2wh3 n GLU 20 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wh3 s ARG 21 N -2.28 0.98 -1.35 3.49 1.70 -1.26 -3.02 118.95 117.20 2wh3 s ARG 21 Ca 0.33 -0.83 -0.09 0.00 -0.47 0.00 0.00 55.73 54.67 2wh3 s ARG 21 Cb 0.05 -1.02 0.09 0.00 -0.57 0.00 0.00 34.95 33.50 2wh3 s ARG 21 CO 0.53 0.25 0.23 1.63 -1.08 0.00 0.00 175.30 176.85 2wh3 n LYS 22 N 1.76 -0.87 -0.04 3.89 4.76 -1.26 -4.59 118.16 121.82 2wh3 n LYS 22 Ca -0.18 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2wh3 n LYS 22 Cb 0.54 -3.26 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 2wh3 n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wh3 n ARG 23 N -3.59 0.00 0.00 1.97 0.63 -1.26 -5.10 116.66 109.31 2wh3 n ARG 23 Ca -0.09 -0.34 0.00 0.00 -0.92 0.00 0.00 57.85 56.50 2wh3 n ARG 23 Cb 0.46 -0.31 0.00 0.00 0.45 0.00 0.00 32.46 33.06 2wh3 n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2wh3 n TRP 24 N 0.00 0.00 -3.21 -0.14 4.27 -1.26 -4.69 117.44 112.41 2wh3 n TRP 24 Ca 0.00 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.62 2wh3 n TRP 24 Cb 0.51 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.43 2wh3 n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2wh3 s ASN 25 N -1.58 -1.07 0.64 -0.67 3.84 -1.06 -4.83 114.94 110.21 2wh3 s ASN 25 Ca 0.00 0.79 0.15 0.00 0.21 0.00 0.00 52.86 54.00 2wh3 s ASN 25 Cb 0.00 1.97 0.79 0.00 -0.55 0.00 0.00 41.25 43.47 2wh3 s ASN 25 CO 0.00 -0.27 1.43 1.55 -2.79 0.00 0.00 177.10 177.03 2wh3 h PRO 26 N 8.04 0.00 0.00 0.43 0.13 -1.91 -0.22 132.00 138.46 2wh3 h PRO 26 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2wh3 h PRO 26 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2wh3 h PRO 26 CO 0.26 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.66 2wh3 n LYS 27 N -2.64 0.81 -0.26 0.86 5.02 -1.26 -2.33 118.16 118.36 2wh3 n LYS 27 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2wh3 n LYS 27 Cb 0.67 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.37 2wh3 n LYS 27 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wh3 n PHE 28 N -1.02 0.61 0.00 2.13 -0.00 -0.09 -4.41 117.46 114.68 2wh3 n PHE 28 Ca 0.20 -0.63 0.00 0.00 -0.00 0.00 0.00 57.45 57.02 2wh3 n PHE 28 Cb 0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 39.48 39.46 2wh3 n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wh3 n ALA 29 N 0.15 0.95 -0.12 3.13 0.00 -0.98 -2.77 120.51 120.86 2wh3 n ALA 29 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 2wh3 n ALA 29 Cb 0.58 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 2wh3 n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wh3 n ARG 30 N -1.44 0.59 0.00 0.00 1.85 -1.26 -4.20 116.66 112.20 2wh3 n ARG 30 Ca 0.00 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.21 2wh3 n ARG 30 Cb 0.03 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 2wh3 n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2wh3 n TYR 31 N -4.23 0.00 -4.35 2.89 0.53 -1.12 -4.68 117.16 106.20 2wh3 n TYR 31 Ca -0.46 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.10 2wh3 n TYR 31 Cb 0.83 -0.03 -0.10 0.00 -1.03 0.00 0.00 39.34 39.02 2wh3 n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 2wh3 s ILE 32 N -1.37 3.88 0.00 -0.72 1.10 -1.23 -3.14 121.20 119.72 2wh3 s ILE 32 Ca 0.00 -0.74 0.00 0.00 -0.51 0.00 0.00 60.65 59.40 2wh3 s ILE 32 Cb 0.00 -2.72 0.00 0.00 0.15 0.00 0.00 42.46 39.89 2wh3 s ILE 32 CO 0.00 0.36 0.00 0.00 -2.11 0.00 0.00 174.94 173.19 2wh3 n TYR 33 N 1.38 0.00 -4.10 3.50 9.36 0.12 -4.58 117.16 122.84 2wh3 n TYR 33 Ca -0.15 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.93 2wh3 n TYR 33 Cb 0.53 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 2wh3 n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wh3 n ALA 34 N -1.80 0.13 -3.67 2.98 0.00 -1.16 -4.98 120.51 112.00 2wh3 n ALA 34 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 53.44 51.61 2wh3 n ALA 34 Cb 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.58 2wh3 n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wh3 n GLU 35 N -0.51 2.45 -3.07 0.00 2.13 -1.26 -0.03 120.64 120.34 2wh3 n GLU 35 Ca 0.03 -4.52 -0.39 0.00 0.66 0.00 0.00 57.16 52.95 2wh3 n GLU 35 Cb 0.51 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.80 2wh3 n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wh3 s ARG 36 N -1.65 4.43 -0.02 5.31 3.00 -1.20 -3.58 118.95 125.24 2wh3 s ARG 36 Ca 0.29 1.01 0.00 0.00 0.00 0.00 0.00 55.73 57.03 2wh3 s ARG 36 Cb -0.02 -3.21 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2wh3 s ARG 36 CO -0.11 0.57 0.00 -1.71 0.00 0.00 0.00 175.30 174.05 2wh3 n ASN 37 N 1.53 -5.20 0.00 0.23 2.85 -1.26 -1.37 115.26 112.04 2wh3 n ASN 37 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2wh3 n ASN 37 Cb 0.49 -2.71 0.00 0.00 1.24 0.00 0.00 39.78 38.81 2wh3 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wh3 n GLY 38 N -0.08 1.39 3.97 8.20 0.00 -1.24 -5.03 105.19 112.41 2wh3 n GLY 38 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2wh3 n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wh3 n ILE 39 N -2.00 0.00 -3.67 -0.61 5.41 -0.47 -4.77 119.36 113.25 2wh3 n ILE 39 Ca 0.00 -1.65 -0.39 0.00 1.00 0.00 0.00 62.75 61.71 2wh3 n ILE 39 Cb 0.00 -0.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.97 2wh3 n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2wh3 s HIS 40 N -3.11 3.19 -0.58 1.39 3.76 -1.11 -3.24 115.29 115.60 2wh3 s HIS 40 Ca 0.67 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 54.56 2wh3 s HIS 40 Cb -0.04 -2.35 0.05 0.00 1.11 0.00 0.00 32.58 31.35 2wh3 s HIS 40 CO 0.44 -0.53 0.97 0.42 -0.85 0.00 0.00 174.74 175.19 2wh3 s ILE 41 N 1.57 4.34 -0.25 0.60 1.09 0.95 -1.57 121.20 127.92 2wh3 s ILE 41 Ca 0.03 0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.49 2wh3 s ILE 41 Cb -0.18 -4.58 -0.01 0.00 -1.06 0.00 0.00 42.46 36.63 2wh3 s ILE 41 CO 0.05 -1.21 1.31 -0.51 -0.10 0.00 0.00 174.94 174.49 2wh3 s ILE 42 N 4.07 4.15 0.15 2.92 2.07 -1.26 0.14 121.20 133.43 2wh3 s ILE 42 Ca 0.30 1.32 -0.31 0.00 -1.41 0.00 0.00 60.65 60.55 2wh3 s ILE 42 Cb -0.13 -4.07 -0.11 0.00 0.13 0.00 0.00 42.46 38.28 2wh3 s ILE 42 CO 0.18 -0.36 1.81 -0.62 -1.91 0.00 0.00 174.94 174.03 2wh3 s ASP 43 N 2.67 6.41 0.09 4.50 2.15 -1.19 -4.46 116.67 126.84 2wh3 s ASP 43 Ca 0.57 2.79 0.15 0.00 0.43 0.00 0.00 52.55 56.49 2wh3 s ASP 43 Cb -0.19 -2.57 -0.12 0.00 -0.30 0.00 0.00 42.92 39.74 2wh3 s ASP 43 CO 0.21 -1.00 0.95 -0.07 -0.17 0.00 0.00 175.17 175.09 2wh3 h LEU 44 N 8.18 0.00 -0.90 -1.34 4.07 -1.92 -3.14 115.31 120.26 2wh3 h LEU 44 Ca -0.45 0.00 0.24 0.00 0.08 0.00 0.00 57.88 57.75 2wh3 h LEU 44 Cb 1.21 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.82 2wh3 h LEU 44 CO 0.95 0.65 0.33 -0.61 -1.08 0.00 0.00 178.44 178.68 2wh3 h GLN 45 N 0.00 0.27 0.00 1.13 4.15 -2.00 0.51 115.11 119.17 2wh3 h GLN 45 Ca -0.14 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 2wh3 h GLN 45 Cb 1.62 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.23 2wh3 h GLN 45 CO 0.06 0.18 -1.16 -0.22 -1.93 0.00 0.00 178.83 175.76 2wh3 h LYS 46 N 0.28 0.00 0.20 1.69 3.64 -1.98 -3.36 116.57 117.04 2wh3 h LYS 46 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2wh3 h LYS 46 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2wh3 h LYS 46 CO -0.61 0.21 -0.21 1.15 -2.27 0.00 0.00 179.45 177.71 2wh3 h THR 47 N 0.00 0.54 -0.96 1.00 2.02 -0.04 -2.06 112.91 113.40 2wh3 h THR 47 Ca -0.09 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.27 2wh3 h THR 47 Cb 1.37 0.54 -0.18 0.00 -1.74 0.00 0.00 68.15 68.14 2wh3 h THR 47 CO 0.03 0.00 -0.28 -0.03 0.37 0.00 0.00 175.52 175.61 2wh3 h MET 48 N -0.45 -0.01 0.10 6.66 1.85 -1.11 -0.01 114.93 121.96 2wh3 h MET 48 Ca 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 2wh3 h MET 48 Cb 0.43 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.41 2wh3 h MET 48 CO -0.06 -0.00 -0.50 0.93 -0.40 0.00 0.00 176.91 176.88 2wh3 h GLU 49 N -0.01 -0.69 -0.78 0.39 5.08 -1.55 0.93 114.58 117.96 2wh3 h GLU 49 Ca 0.43 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.99 2wh3 h GLU 49 Cb 0.67 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.97 2wh3 h GLU 49 CO -0.98 -0.46 0.28 0.93 -1.00 0.00 0.00 179.01 177.78 2wh3 h GLU 50 N -0.71 0.38 0.51 2.33 4.39 -0.71 0.11 114.58 120.88 2wh3 h GLU 50 Ca 0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2wh3 h GLU 50 Cb 0.73 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2wh3 h GLU 50 CO -0.29 0.25 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.38 2wh3 h LEU 51 N 0.39 -0.96 -0.62 1.33 3.38 -0.36 1.69 115.31 120.16 2wh3 h LEU 51 Ca 0.44 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.60 2wh3 h LEU 51 Cb 0.72 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 2wh3 h LEU 51 CO -0.45 -0.55 -0.18 -0.08 0.09 0.00 0.00 178.44 177.27 2wh3 h GLU 52 N -0.86 -0.02 -0.00 1.13 4.81 0.47 1.21 114.58 121.31 2wh3 h GLU 52 Ca -0.06 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2wh3 h GLU 52 Cb 0.72 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2wh3 h GLU 52 CO 0.02 -0.01 -0.72 -0.09 -0.73 0.00 0.00 179.01 177.48 2wh3 h ARG 53 N -0.02 0.03 0.01 1.92 2.43 -0.46 -2.79 114.38 115.50 2wh3 h ARG 53 Ca 0.29 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.21 2wh3 h ARG 53 Cb 0.47 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2wh3 h ARG 53 CO -0.65 0.74 -1.05 1.15 -1.51 0.00 0.00 179.97 178.64 2wh3 h THR 54 N 0.02 1.66 0.00 0.20 2.02 0.38 -3.29 112.91 113.91 2wh3 h THR 54 Ca -0.01 -3.36 -0.09 0.00 0.77 0.00 0.00 66.41 63.71 2wh3 h THR 54 Cb 1.27 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.51 2wh3 h THR 54 CO 0.10 0.95 -0.44 -0.26 0.37 0.00 0.00 175.52 176.23 2wh3 h PHE 55 N 0.01 0.00 0.00 3.16 0.04 0.14 -1.76 116.94 118.53 2wh3 h PHE 55 Ca -0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2wh3 h PHE 55 Cb 1.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.94 2wh3 h PHE 55 CO 0.01 0.44 -0.13 0.00 -0.60 0.00 0.00 178.31 178.03 2wh3 h ARG 56 N 0.00 0.00 0.17 1.51 3.08 -1.56 0.19 114.38 117.77 2wh3 h ARG 56 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 2wh3 h ARG 56 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2wh3 h ARG 56 CO 0.06 0.13 -1.77 0.35 -1.07 0.00 0.00 179.97 177.67 2wh3 h PHE 57 N 0.00 0.66 -0.17 3.04 3.57 -1.64 0.12 116.94 122.52 2wh3 h PHE 57 Ca -0.00 -0.48 0.05 0.00 3.53 0.00 0.00 57.97 61.07 2wh3 h PHE 57 Cb 0.27 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2wh3 h PHE 57 CO 0.00 1.66 0.15 0.82 -2.23 0.00 0.00 178.31 178.71 2wh3 h ILE 58 N 0.10 0.68 0.00 1.41 1.08 -0.63 -2.11 117.51 118.04 2wh3 h ILE 58 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2wh3 h ILE 58 Cb 2.09 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2wh3 h ILE 58 CO 0.17 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.84 2wh3 n GLU 59 N -4.14 0.00 -0.35 2.37 2.13 0.61 -3.17 120.64 118.10 2wh3 n GLU 59 Ca 0.01 0.41 0.07 0.00 0.66 0.00 0.00 57.16 58.31 2wh3 n GLU 59 Cb 0.28 -0.90 0.15 0.00 0.27 0.00 0.00 31.44 31.23 2wh3 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2wh3 n ASP 60 N -1.91 -0.32 0.07 4.31 4.64 0.43 0.10 116.55 123.87 2wh3 n ASP 60 Ca 0.00 1.66 -0.05 0.00 -1.38 0.00 0.00 54.79 55.02 2wh3 n ASP 60 Cb 0.00 -0.51 0.13 0.00 -1.04 0.00 0.00 41.12 39.70 2wh3 n ASP 60 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2wh3 h LEU 61 N 0.00 0.31 -0.08 -2.67 5.85 -1.60 -3.21 115.31 113.92 2wh3 h LEU 61 Ca 0.48 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2wh3 h LEU 61 Cb 0.76 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2wh3 h LEU 61 CO -0.99 0.81 0.01 0.00 -0.34 0.00 0.00 178.44 177.93 2wh3 h ALA 62 N 1.20 0.10 0.00 1.25 0.00 0.71 -0.41 119.26 122.10 2wh3 h ALA 62 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wh3 h ALA 62 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2wh3 h ALA 62 CO 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2wh3 n MET 63 N -4.87 0.57 -0.03 0.00 0.00 0.65 -2.45 117.12 111.00 2wh3 n MET 63 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.65 2wh3 n MET 63 Cb 0.17 -1.23 0.02 0.00 0.00 0.00 0.00 33.22 32.19 2wh3 n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2wh3 n ARG 64 N -0.73 2.21 -0.84 3.17 1.85 -1.08 -5.00 116.66 116.24 2wh3 n ARG 64 Ca 0.06 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 2wh3 n ARG 64 Cb 0.03 -1.00 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 2wh3 n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wh3 n GLY 65 N -0.57 0.66 3.74 2.89 0.00 -1.02 -5.01 105.19 105.87 2wh3 n GLY 65 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2wh3 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 66 N -2.65 1.38 3.85 -0.02 0.00 -0.18 -4.98 105.19 102.58 2wh3 n GLY 66 Ca 0.00 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 2wh3 n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wh3 s THR 67 N 0.24 4.65 0.03 2.61 2.01 -1.26 -4.70 115.64 119.21 2wh3 s THR 67 Ca 0.66 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.73 2wh3 s THR 67 Cb -0.50 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2wh3 s THR 67 CO 0.45 -0.24 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.31 2wh3 s ILE 68 N -2.06 1.61 -0.29 1.82 -1.09 -1.26 -2.98 121.20 116.95 2wh3 s ILE 68 Ca 0.55 -1.12 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2wh3 s ILE 68 Cb -0.10 -1.39 0.05 0.00 -1.58 0.00 0.00 42.46 39.44 2wh3 s ILE 68 CO 0.18 0.24 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.89 2wh3 s LEU 69 N -1.04 3.79 -0.16 2.97 2.96 -1.08 -3.16 118.68 122.96 2wh3 s LEU 69 Ca 0.07 -1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 52.53 2wh3 s LEU 69 Cb -0.08 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2wh3 s LEU 69 CO 0.01 -0.24 0.52 -0.36 -1.32 0.00 0.00 176.35 174.96 2wh3 s PHE 70 N 1.24 3.44 -0.14 5.38 0.40 -0.56 0.37 117.98 128.10 2wh3 s PHE 70 Ca -0.05 0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 57.12 2wh3 s PHE 70 Cb -0.20 -2.64 0.04 0.00 0.51 0.00 0.00 43.02 40.74 2wh3 s PHE 70 CO -0.02 0.01 -0.02 0.14 0.70 0.00 0.00 175.22 176.03 2wh3 s VAL 71 N 1.21 0.75 -0.38 -0.44 -7.23 0.13 0.54 120.40 114.98 2wh3 s VAL 71 Ca 0.26 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2wh3 s VAL 71 Cb -0.15 -0.98 0.16 0.00 0.56 0.00 0.00 36.38 35.96 2wh3 s VAL 71 CO 0.10 0.11 0.39 -0.83 -0.31 0.00 0.00 175.10 174.56 2wh3 s GLY 72 N 1.79 0.05 -0.06 2.32 0.00 -0.82 -1.17 107.32 109.43 2wh3 s GLY 72 Ca 0.02 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.40 2wh3 s GLY 72 CO -0.07 2.71 0.85 -0.91 0.00 0.00 0.00 173.10 175.68 2wh3 h THR 73 N 4.99 1.50 -1.58 0.90 1.35 -1.73 -3.36 112.91 114.97 2wh3 h THR 73 Ca 0.07 -2.50 -0.72 0.00 -0.55 0.00 0.00 66.41 62.71 2wh3 h THR 73 Cb 1.04 3.18 0.03 0.00 -1.73 0.00 0.00 68.15 70.67 2wh3 h THR 73 CO 0.20 0.70 0.69 2.29 -0.25 0.00 0.00 175.52 179.15 2wh3 n LYS 74 N -4.16 1.10 0.05 4.72 2.85 -1.26 -4.57 118.16 116.88 2wh3 n LYS 74 Ca -0.15 0.40 0.22 0.00 -1.05 0.00 0.00 58.31 57.73 2wh3 n LYS 74 Cb 0.79 -2.06 0.71 0.00 -0.65 0.00 0.00 35.03 33.82 2wh3 n LYS 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2wh3 h LYS 75 N 5.95 0.00 0.00 -1.58 3.11 -1.94 0.40 116.57 122.50 2wh3 h LYS 75 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2wh3 h LYS 75 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 2wh3 h LYS 75 CO 0.88 0.00 0.13 1.04 -2.81 0.00 0.00 179.45 178.68 2wh3 n GLN 76 N -3.66 0.02 -2.04 1.90 6.02 -1.26 -2.82 117.38 115.55 2wh3 n GLN 76 Ca 0.10 0.43 -0.03 0.00 -0.01 0.00 0.00 57.00 57.49 2wh3 n GLN 76 Cb 0.75 -1.70 0.06 0.00 1.02 0.00 0.00 30.24 30.36 2wh3 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wh3 n ALA 77 N -1.44 2.09 -1.00 -1.58 0.00 0.14 -4.23 120.51 114.48 2wh3 n ALA 77 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2wh3 n ALA 77 Cb 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2wh3 n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh3 n GLN 78 N -0.92 0.00 -0.05 0.00 6.02 -0.95 -4.04 117.38 117.43 2wh3 n GLN 78 Ca -0.16 0.00 0.25 0.00 -0.01 0.00 0.00 57.00 57.07 2wh3 n GLN 78 Cb 0.75 -0.17 0.71 0.00 1.02 0.00 0.00 30.24 32.56 2wh3 n GLN 78 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2wh3 h ASP 79 N 0.00 0.00 0.00 1.08 2.03 -1.88 0.21 116.42 117.86 2wh3 h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wh3 h ASP 79 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2wh3 h ASP 79 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.51 2wh3 n ILE 80 N -3.91 0.00 0.00 4.15 -5.35 -1.26 -1.99 119.36 111.00 2wh3 n ILE 80 Ca 0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 2wh3 n ILE 80 Cb 0.85 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 2wh3 n ILE 80 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2wh3 n VAL 81 N -0.25 0.00 0.24 7.28 0.31 0.05 -4.57 118.33 121.39 2wh3 n VAL 81 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2wh3 n VAL 81 Cb 0.06 -0.49 0.59 0.00 -0.91 0.00 0.00 33.84 33.08 2wh3 n VAL 81 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2wh3 h ARG 82 N 0.00 0.00 0.25 5.55 0.11 -1.30 0.59 114.38 119.58 2wh3 h ARG 82 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2wh3 h ARG 82 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2wh3 h ARG 82 CO 0.00 0.15 -0.12 0.52 0.10 0.00 0.00 179.97 180.62 2wh3 h MET 83 N 0.00 -0.32 -0.53 0.08 2.86 -1.76 -2.27 114.93 112.99 2wh3 h MET 83 Ca -0.00 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 2wh3 h MET 83 Cb 0.30 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2wh3 h MET 83 CO 0.02 -0.22 0.37 0.93 1.06 0.00 0.00 176.91 179.07 2wh3 h GLU 84 N -0.46 0.19 0.12 1.72 4.39 -1.73 -0.06 114.58 118.75 2wh3 h GLU 84 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2wh3 h GLU 84 Cb 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wh3 h GLU 84 CO 0.06 0.13 -0.06 0.00 -1.16 0.00 0.00 179.01 177.98 2wh3 h ALA 85 N 1.73 -0.16 -0.45 3.43 0.00 0.15 -3.21 119.26 120.75 2wh3 h ALA 85 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wh3 h ALA 85 Cb 0.73 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2wh3 h ALA 85 CO -0.04 -0.34 0.25 0.93 0.00 0.00 0.00 179.25 180.06 2wh3 h GLU 86 N -0.66 0.62 -2.76 0.00 5.08 -1.11 -2.39 114.58 113.36 2wh3 h GLU 86 Ca -0.02 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 2wh3 h GLU 86 Cb 0.51 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2wh3 h GLU 86 CO 0.03 0.48 1.27 -2.13 -1.00 0.00 0.00 179.01 177.66 2wh3 n ARG 87 N -4.70 1.91 0.00 2.33 0.00 -0.06 -0.56 116.66 115.57 2wh3 n ARG 87 Ca 0.01 -1.13 0.00 0.00 -0.00 0.00 0.00 57.85 56.73 2wh3 n ARG 87 Cb 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 32.46 30.37 2wh3 n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh3 n ALA 88 N 3.27 0.00 -4.06 5.13 0.00 -1.08 -4.84 120.51 118.93 2wh3 n ALA 88 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 2wh3 n ALA 88 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 2wh3 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 89 N 0.00 -0.42 3.45 0.00 0.00 0.27 -4.97 105.19 103.53 2wh3 n GLY 89 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2wh3 n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wh3 s MET 90 N -6.73 2.41 0.24 1.61 -1.94 -0.97 -4.99 119.30 108.94 2wh3 s MET 90 Ca 0.56 -0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 53.48 2wh3 s MET 90 Cb -0.29 -2.31 -0.11 0.00 2.01 0.00 0.00 34.83 34.12 2wh3 s MET 90 CO 0.89 0.61 1.60 -2.14 -0.01 0.00 0.00 175.02 175.96 2wh3 s PRO 91 N -0.78 4.16 0.31 2.03 0.02 -1.19 -4.57 135.00 134.98 2wh3 s PRO 91 Ca 0.12 2.50 0.03 0.00 0.02 0.00 0.00 61.00 63.67 2wh3 s PRO 91 Cb -0.11 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 2wh3 s PRO 91 CO 0.01 -0.62 0.11 1.52 -0.33 0.00 0.00 177.00 177.68 2wh3 s TYR 92 N 0.49 1.70 -0.12 6.54 -0.00 0.24 -1.49 117.35 124.70 2wh3 s TYR 92 Ca 0.67 -1.19 -0.04 0.00 -0.00 0.00 0.00 57.07 56.51 2wh3 s TYR 92 Cb -0.47 -1.03 0.06 0.00 -0.00 0.00 0.00 41.96 40.53 2wh3 s TYR 92 CO 0.40 -0.29 0.22 0.08 -0.00 0.00 0.00 175.55 175.96 2wh3 s VAL 93 N -3.52 -0.34 -0.14 -3.49 1.01 0.19 -4.18 120.40 109.93 2wh3 s VAL 93 Ca 0.35 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 2wh3 s VAL 93 Cb 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2wh3 s VAL 93 CO 0.15 0.08 -0.28 0.59 0.00 0.00 0.00 175.10 175.64 2wh3 n ASN 94 N 5.34 1.74 0.00 3.32 3.02 -1.26 -1.95 115.26 125.46 2wh3 n ASN 94 Ca -0.05 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2wh3 n ASN 94 Cb 0.50 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2wh3 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh3 n GLN 95 N -4.22 2.24 -2.56 3.52 1.13 -1.26 -3.79 117.38 112.43 2wh3 n GLN 95 Ca -0.18 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.45 2wh3 n GLN 95 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.82 2wh3 n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2wh3 s ARG 96 N 0.00 3.76 -1.05 -1.09 3.00 -1.26 -4.69 118.95 117.62 2wh3 s ARG 96 Ca 0.00 0.72 -0.23 0.00 0.00 0.00 0.00 55.73 56.22 2wh3 s ARG 96 Cb 0.00 -3.90 -0.12 0.00 0.00 0.00 0.00 34.95 30.93 2wh3 s ARG 96 CO 0.00 -1.33 1.93 1.87 0.00 0.00 0.00 175.30 177.76 2wh3 n TRP 97 N 7.84 2.41 -0.98 -0.53 -0.00 -1.26 -4.92 117.44 120.01 2wh3 n TRP 97 Ca 0.13 -1.51 -0.31 0.00 -0.00 0.00 0.00 57.50 55.81 2wh3 n TRP 97 Cb 0.48 -2.34 0.01 0.00 -0.00 0.00 0.00 31.31 29.46 2wh3 n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wh3 n LEU 98 N 12.59 -3.12 -4.74 5.87 4.77 -1.26 -4.90 117.00 126.21 2wh3 n LEU 98 Ca 0.46 0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 56.56 2wh3 n LEU 98 Cb 0.45 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 2wh3 n LEU 98 CO 0.78 -3.92 0.05 -0.83 -1.33 0.00 0.00 177.39 172.14 2wh3 s GLY 99 N -0.80 2.29 0.00 -0.72 0.00 -1.26 -3.91 107.32 102.92 2wh3 s GLY 99 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2wh3 s GLY 99 CO 0.54 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.75 2wh3 n GLY 100 N 3.19 0.96 0.00 0.20 0.00 -1.26 -4.89 105.19 103.39 2wh3 n GLY 100 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2wh3 n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wh3 n MET 101 N -1.33 0.10 0.13 1.61 0.00 -1.25 0.19 117.12 116.56 2wh3 n MET 101 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.93 2wh3 n MET 101 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 2wh3 n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wh3 n LEU 102 N -1.31 0.02 -0.01 4.03 4.32 -1.26 -4.31 117.00 118.49 2wh3 n LEU 102 Ca 0.03 0.44 0.06 0.00 -0.02 0.00 0.00 56.01 56.52 2wh3 n LEU 102 Cb 0.06 0.30 0.45 0.00 -1.62 0.00 0.00 43.42 42.61 2wh3 n LEU 102 CO 0.06 -0.78 1.16 0.74 -1.22 0.00 0.00 177.39 177.35 2wh3 h THR 103 N 0.00 1.05 0.00 -5.08 2.02 -1.75 -2.20 112.91 106.95 2wh3 h THR 103 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2wh3 h THR 103 Cb 0.00 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 2wh3 h THR 103 CO 0.00 0.09 -0.44 -3.20 0.37 0.00 0.00 175.52 172.34 2wh3 n ASN 104 N -4.48 1.57 0.00 4.18 5.15 -0.41 -4.94 115.26 116.33 2wh3 n ASN 104 Ca 0.04 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 2wh3 n ASN 104 Cb 0.14 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 2wh3 n ASN 104 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2wh3 n PHE 105 N -0.80 0.00 -0.26 1.20 7.35 0.51 -0.55 117.46 124.90 2wh3 n PHE 105 Ca 0.14 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 57.07 2wh3 n PHE 105 Cb 0.75 -0.28 0.46 0.00 0.35 0.00 0.00 39.48 40.77 2wh3 n PHE 105 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2wh3 n LYS 106 N -2.37 -0.05 -0.15 -4.13 4.81 -1.26 0.12 118.16 115.13 2wh3 n LYS 106 Ca 0.00 1.11 -0.10 0.00 -0.87 0.00 0.00 58.31 58.46 2wh3 n LYS 106 Cb 0.00 -1.99 -0.00 0.00 0.02 0.00 0.00 35.03 33.06 2wh3 n LYS 106 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2wh3 h THR 107 N 0.00 1.25 -0.85 3.15 2.02 -1.14 -1.06 112.91 116.28 2wh3 h THR 107 Ca 0.67 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2wh3 h THR 107 Cb 1.76 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 2wh3 h THR 107 CO -0.63 0.32 0.41 0.40 0.37 0.00 0.00 175.52 176.39 2wh3 h ILE 108 N 0.60 1.26 -0.16 3.11 1.08 0.11 -2.76 117.51 120.75 2wh3 h ILE 108 Ca 0.13 -0.73 0.03 0.00 -0.39 0.00 0.00 64.86 63.91 2wh3 h ILE 108 Cb 0.40 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2wh3 h ILE 108 CO 0.01 0.31 -0.05 0.28 -0.69 0.00 0.00 178.15 178.01 2wh3 h SER 109 N 1.21 -0.18 -0.77 1.72 0.02 -0.78 -2.27 113.55 112.50 2wh3 h SER 109 Ca 0.29 0.05 0.22 0.00 -0.84 0.00 0.00 61.79 61.52 2wh3 h SER 109 Cb 0.12 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2wh3 h SER 109 CO -0.04 -0.07 1.17 1.56 -1.14 0.00 0.00 176.83 178.31 2wh3 h GLN 110 N -0.01 0.00 0.00 3.45 4.20 -0.89 2.28 115.11 124.14 2wh3 h GLN 110 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2wh3 h GLN 110 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2wh3 h GLN 110 CO -0.18 0.00 -1.73 0.54 -0.67 0.00 0.00 178.83 176.80 2wh3 n ARG 111 N -3.05 0.64 -0.21 1.46 1.74 -0.86 -3.52 116.66 112.86 2wh3 n ARG 111 Ca 0.17 -0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.23 2wh3 n ARG 111 Cb 1.40 -1.65 0.22 0.00 -1.02 0.00 0.00 32.46 31.41 2wh3 n ARG 111 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wh3 h VAL 112 N 0.00 1.21 -0.12 1.55 2.07 0.38 -0.09 116.25 121.25 2wh3 h VAL 112 Ca -0.12 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2wh3 h VAL 112 Cb 1.32 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2wh3 h VAL 112 CO 0.01 0.23 0.04 -0.74 0.02 0.00 0.00 177.57 177.13 2wh3 h HIS 113 N 0.99 0.20 -0.65 1.57 -0.00 -1.59 -2.64 115.15 113.04 2wh3 h HIS 113 Ca 0.26 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.74 2wh3 h HIS 113 Cb 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 27.25 2wh3 h HIS 113 CO 0.01 0.33 0.05 -0.09 -0.00 0.00 0.00 177.93 178.22 2wh3 h ARG 114 N 0.02 0.15 -0.03 5.26 9.65 -1.22 -2.43 114.38 125.79 2wh3 h ARG 114 Ca 0.04 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2wh3 h ARG 114 Cb 0.22 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 2wh3 h ARG 114 CO -0.00 0.10 -0.12 1.25 2.80 0.00 0.00 179.97 184.00 2wh3 h LEU 115 N 0.16 -0.38 -5.52 3.80 5.85 -0.72 -2.29 115.31 116.20 2wh3 h LEU 115 Ca 0.34 0.05 -0.59 0.00 0.84 0.00 0.00 57.88 58.52 2wh3 h LEU 115 Cb 0.57 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.76 2wh3 h LEU 115 CO -0.52 -0.11 3.16 -1.84 -0.34 0.00 0.00 178.44 178.79 2wh3 n GLU 116 N -3.20 2.79 0.00 1.25 0.28 -0.91 -0.85 120.64 119.99 2wh3 n GLU 116 Ca -0.01 -2.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.96 2wh3 n GLU 116 Cb 0.08 -2.82 0.00 0.00 1.43 0.00 0.00 31.44 30.13 2wh3 n GLU 116 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wh3 n GLU 117 N 4.72 0.00 0.21 3.44 1.02 -1.00 -4.69 120.64 124.35 2wh3 n GLU 117 Ca 0.60 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.84 2wh3 n GLU 117 Cb 0.26 -0.01 0.29 0.00 -0.02 0.00 0.00 31.44 31.95 2wh3 n GLU 117 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wh3 h LEU 118 N 0.00 0.00 0.07 -4.62 3.38 -0.71 -0.81 115.31 112.62 2wh3 h LEU 118 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wh3 h LEU 118 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wh3 h LEU 118 CO 0.00 0.16 -0.03 -0.08 0.09 0.00 0.00 178.44 178.58 2wh3 h GLU 119 N 0.00 -0.09 0.00 1.13 4.57 -1.23 0.43 114.58 119.39 2wh3 h GLU 119 Ca -0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2wh3 h GLU 119 Cb 0.95 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2wh3 h GLU 119 CO 0.02 0.21 -0.29 0.00 -1.18 0.00 0.00 179.01 177.77 2wh3 h ALA 120 N 0.49 0.99 0.00 2.92 0.00 -1.74 -2.46 119.26 119.46 2wh3 h ALA 120 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wh3 h ALA 120 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wh3 h ALA 120 CO 0.02 0.37 -0.80 1.25 0.00 0.00 0.00 179.25 180.08 2wh3 h LEU 121 N 0.00 0.00 0.22 0.00 6.46 -1.07 -3.36 115.31 117.56 2wh3 h LEU 121 Ca -0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2wh3 h LEU 121 Cb 0.84 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 2wh3 h LEU 121 CO 0.04 0.05 -0.49 0.15 -0.62 0.00 0.00 178.44 177.57 2wh3 h PHE 122 N 0.00 -1.39 -3.59 1.25 3.57 0.37 -3.27 116.94 113.88 2wh3 h PHE 122 Ca 0.00 0.03 -0.73 0.00 3.53 0.00 0.00 57.97 60.80 2wh3 h PHE 122 Cb 0.89 0.58 -0.32 0.00 2.79 0.00 0.00 35.95 39.89 2wh3 h PHE 122 CO 0.00 -0.58 -0.25 0.00 -2.23 0.00 0.00 178.31 175.26 2wh3 s ALA 123 N -5.61 3.69 0.16 2.41 0.00 -1.24 -4.96 121.76 116.22 2wh3 s ALA 123 Ca -0.16 -3.18 -0.24 0.00 0.00 0.00 0.00 51.96 48.38 2wh3 s ALA 123 Cb 0.05 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.32 2wh3 s ALA 123 CO 0.56 -2.12 0.85 0.45 0.00 0.00 0.00 175.76 175.50 2wh3 s SER 124 N 1.34 -0.27 0.00 0.00 0.15 -1.23 -4.92 113.70 108.77 2wh3 s SER 124 Ca 0.16 -0.36 0.11 0.00 0.70 0.00 0.00 55.95 56.56 2wh3 s SER 124 Cb -0.18 0.55 0.67 0.00 -1.71 0.00 0.00 66.02 65.34 2wh3 s SER 124 CO -0.05 -0.99 1.36 -0.81 1.20 0.00 0.00 173.24 173.96 2wh3 n PRO 125 N -0.43 0.91 -0.17 5.44 -0.04 -1.26 -3.21 135.00 136.25 2wh3 n PRO 125 Ca -0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 2wh3 n PRO 125 Cb 0.61 -1.19 0.10 0.00 -0.04 0.00 0.00 33.50 32.97 2wh3 n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh3 n GLU 126 N -0.69 1.73 -0.00 0.54 1.02 -1.26 -2.95 120.64 119.02 2wh3 n GLU 126 Ca 0.08 -0.76 0.04 0.00 -0.02 0.00 0.00 57.16 56.51 2wh3 n GLU 126 Cb 0.04 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 2wh3 n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wh3 n ILE 127 N 0.11 0.00 -0.35 -3.67 2.08 -1.20 -4.53 119.36 111.81 2wh3 n ILE 127 Ca 0.07 -0.26 0.12 0.00 0.56 0.00 0.00 62.75 63.24 2wh3 n ILE 127 Cb 0.33 0.69 0.30 0.00 -0.75 0.00 0.00 39.64 40.22 2wh3 n ILE 127 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2wh3 h GLU 128 N 0.00 0.74 0.00 0.38 4.57 -1.78 -3.40 114.58 115.08 2wh3 h GLU 128 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2wh3 h GLU 128 Cb 0.26 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2wh3 h GLU 128 CO 0.00 0.49 0.00 0.39 -1.18 0.00 0.00 179.01 178.71 2wh3 n GLU 129 N -4.77 3.05 -2.36 1.92 1.02 -1.26 -5.03 120.64 113.22 2wh3 n GLU 129 Ca 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 2wh3 n GLU 129 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 2wh3 n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wh3 n ARG 130 N 0.00 -4.54 -0.75 3.49 5.12 -1.26 -4.90 116.66 113.82 2wh3 n ARG 130 Ca 0.00 3.38 -0.32 0.00 -1.93 0.00 0.00 57.85 58.98 2wh3 n ARG 130 Cb 0.00 -4.55 0.14 0.00 -1.16 0.00 0.00 32.46 26.88 2wh3 n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2wh3 n PRO 131 N 1.63 -0.37 0.23 5.56 -0.04 -1.26 -4.43 135.00 136.32 2wh3 n PRO 131 Ca -0.19 -0.06 0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2wh3 n PRO 131 Cb 0.29 -2.03 0.69 0.00 -0.04 0.00 0.00 33.50 32.41 2wh3 n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wh3 h LYS 132 N -1.69 0.00 -0.11 0.54 3.64 -1.98 0.27 116.57 117.24 2wh3 h LYS 132 Ca -0.43 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2wh3 h LYS 132 Cb 1.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2wh3 h LYS 132 CO 0.37 0.00 -0.00 0.87 -2.27 0.00 0.00 179.45 178.41 2wh3 h LYS 133 N 0.00 0.19 -0.16 1.90 1.79 -1.99 -1.85 116.57 116.46 2wh3 h LYS 133 Ca 0.09 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 2wh3 h LYS 133 Cb 1.06 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2wh3 h LYS 133 CO -0.00 0.44 -0.19 0.93 -1.08 0.00 0.00 179.45 179.55 2wh3 h GLU 134 N -0.08 0.41 -0.44 3.15 4.39 -0.80 0.90 114.58 122.10 2wh3 h GLU 134 Ca 0.03 -0.23 0.13 0.00 0.34 0.00 0.00 59.36 59.63 2wh3 h GLU 134 Cb 0.36 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2wh3 h GLU 134 CO 0.01 0.80 0.38 1.96 -1.16 0.00 0.00 179.01 181.00 2wh3 h GLN 135 N 0.04 0.00 0.00 2.33 4.20 -1.28 0.85 115.11 121.26 2wh3 h GLN 135 Ca 0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2wh3 h GLN 135 Cb 0.74 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2wh3 h GLN 135 CO 0.05 0.00 -1.30 0.28 -0.67 0.00 0.00 178.83 177.18 2wh3 n VAL 136 N -4.03 1.49 -0.07 -0.54 0.31 -0.70 -3.34 118.33 111.45 2wh3 n VAL 136 Ca 0.08 -0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 2wh3 n VAL 136 Cb 0.58 -2.19 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 2wh3 n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wh3 h ARG 137 N -1.00 -0.23 -0.97 5.55 1.12 0.11 1.20 114.38 120.17 2wh3 h ARG 137 Ca -0.24 0.02 0.08 0.00 -1.11 0.00 0.00 59.98 58.73 2wh3 h ARG 137 Cb 1.08 0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 31.03 2wh3 h ARG 137 CO -0.15 -0.15 0.62 -0.07 -3.11 0.00 0.00 179.97 177.11 2wh3 h LEU 138 N -0.23 0.94 0.09 3.80 3.38 -1.03 -0.01 115.31 122.24 2wh3 h LEU 138 Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wh3 h LEU 138 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2wh3 h LEU 138 CO -0.33 0.57 -0.19 0.11 0.09 0.00 0.00 178.44 178.69 2wh3 h LYS 139 N 1.05 -0.34 0.00 1.13 1.79 -0.85 0.21 116.57 119.56 2wh3 h LYS 139 Ca 0.44 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 2wh3 h LYS 139 Cb 0.30 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2wh3 h LYS 139 CO -0.19 -0.23 0.00 0.45 -1.08 0.00 0.00 179.45 178.40 2wh3 h HIS 140 N -0.36 0.00 0.07 -1.35 3.86 0.25 0.54 115.15 118.17 2wh3 h HIS 140 Ca 0.03 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.00 2wh3 h HIS 140 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2wh3 h HIS 140 CO -0.20 0.00 -1.09 1.49 0.86 0.00 0.00 177.93 179.00 2wh3 h GLU 141 N 0.00 0.25 -0.12 2.45 4.81 0.11 -3.26 114.58 118.83 2wh3 h GLU 141 Ca 0.00 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 2wh3 h GLU 141 Cb 0.08 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2wh3 h GLU 141 CO 0.00 1.12 -0.32 1.25 -0.73 0.00 0.00 179.01 180.33 2wh3 h LEU 142 N 0.10 0.48 -0.93 1.64 5.85 0.95 -0.22 115.31 123.18 2wh3 h LEU 142 Ca -0.09 -0.59 0.15 0.00 0.84 0.00 0.00 57.88 58.19 2wh3 h LEU 142 Cb 1.78 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 42.52 2wh3 h LEU 142 CO 0.17 0.99 -0.34 -0.62 -0.34 0.00 0.00 178.44 178.30 2wh3 n GLU 143 N -4.40 -0.20 -0.07 1.25 -0.58 -0.54 -0.27 120.64 115.85 2wh3 n GLU 143 Ca -0.07 1.43 -0.14 0.00 -0.42 0.00 0.00 57.16 57.96 2wh3 n GLU 143 Cb 0.49 -2.12 -0.13 0.00 -0.57 0.00 0.00 31.44 29.11 2wh3 n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wh3 h ARG 144 N 0.00 0.00 -0.74 3.49 0.11 -1.60 -2.47 114.38 113.18 2wh3 h ARG 144 Ca 0.34 -0.01 0.14 0.00 0.10 0.00 0.00 59.98 60.55 2wh3 h ARG 144 Cb 0.57 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.52 2wh3 h ARG 144 CO -0.92 0.97 -0.25 -0.07 0.10 0.00 0.00 179.97 179.80 2wh3 h LEU 145 N -0.96 -0.90 -0.00 0.08 -0.00 -0.05 1.35 115.31 114.84 2wh3 h LEU 145 Ca -0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2wh3 h LEU 145 Cb 0.98 0.53 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 2wh3 h LEU 145 CO 0.00 -0.27 -0.03 1.67 -0.00 0.00 0.00 178.44 179.81 2wh3 n GLN 146 N -5.48 0.01 0.13 1.13 7.27 0.63 -2.73 117.38 118.34 2wh3 n GLN 146 Ca 0.09 -0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.09 2wh3 n GLN 146 Cb 0.38 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.50 2wh3 n GLN 146 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wh3 h LYS 147 N 0.00 -0.39 0.00 3.69 3.64 0.22 -3.10 116.57 120.63 2wh3 h LYS 147 Ca 0.00 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 2wh3 h LYS 147 Cb 0.49 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2wh3 h LYS 147 CO 0.00 -0.26 -0.84 1.88 -2.27 0.00 0.00 179.45 177.96 2wh3 h TYR 148 N -1.06 0.10 -0.95 1.91 0.05 -1.29 -3.30 116.97 112.44 2wh3 h TYR 148 Ca -0.04 -0.06 -0.47 0.00 0.05 0.00 0.00 58.73 58.21 2wh3 h TYR 148 Cb 0.31 -0.01 -0.28 0.00 1.01 0.00 0.00 36.73 37.76 2wh3 h TYR 148 CO 0.00 0.87 0.59 1.28 -1.05 0.00 0.00 178.16 179.86 2wh3 n LEU 149 N -3.60 6.60 -0.31 3.88 4.77 -1.10 -4.69 117.00 122.54 2wh3 n LEU 149 Ca -0.02 -3.57 -0.01 0.00 -0.03 0.00 0.00 56.01 52.38 2wh3 n LEU 149 Cb 0.79 -0.82 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2wh3 n LEU 149 CO 0.46 1.03 0.63 0.28 -1.33 0.00 0.00 177.39 178.45 2wh3 h SER 150 N 1.20 -1.19 -1.95 -1.43 0.02 -1.62 -3.02 113.55 105.55 2wh3 h SER 150 Ca 0.58 0.27 -0.51 0.00 -0.84 0.00 0.00 61.79 61.30 2wh3 h SER 150 Cb 2.78 0.64 -0.41 0.00 0.14 0.00 0.00 62.40 65.56 2wh3 h SER 150 CO 1.05 -0.29 -0.99 0.61 -1.14 0.00 0.00 176.83 176.06 2wh3 n GLY 151 N -1.48 4.19 0.21 -3.77 0.00 -1.26 -4.72 105.19 98.34 2wh3 n GLY 151 Ca 0.09 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 2wh3 n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wh3 n PHE 152 N 0.02 0.00 -0.27 1.61 -0.00 -1.14 0.81 117.46 118.49 2wh3 n PHE 152 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.61 2wh3 n PHE 152 Cb 0.59 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.48 39.91 2wh3 n PHE 152 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 2wh3 h ARG 153 N -0.02 -0.18 0.00 -4.13 0.11 -1.85 -3.11 114.38 105.20 2wh3 h ARG 153 Ca -0.05 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2wh3 h ARG 153 Cb 1.08 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2wh3 h ARG 153 CO -0.01 -0.12 0.00 1.28 0.10 0.00 0.00 179.97 181.21 2wh3 n LEU 154 N -5.35 0.00 -4.25 0.08 4.77 -1.26 -3.32 117.00 107.67 2wh3 n LEU 154 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.62 2wh3 n LEU 154 Cb 0.32 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 2wh3 n LEU 154 CO -0.07 0.00 -0.29 -0.76 -1.33 0.00 0.00 177.39 174.94 2wh3 s LEU 155 N -2.77 4.12 -1.21 2.23 2.01 -1.17 -5.02 118.68 116.87 2wh3 s LEU 155 Ca 0.00 -1.14 -0.08 0.00 0.01 0.00 0.00 54.13 52.92 2wh3 s LEU 155 Cb 0.00 -1.82 0.22 0.00 0.01 0.00 0.00 46.19 44.60 2wh3 s LEU 155 CO 0.00 -0.29 1.72 0.29 1.01 0.00 0.00 176.35 179.08 2wh3 n LYS 156 N 4.76 3.92 -3.64 1.70 5.02 -1.21 -4.88 118.16 123.82 2wh3 n LYS 156 Ca -0.13 -3.90 -0.02 0.00 -2.02 0.00 0.00 58.31 52.24 2wh3 n LYS 156 Cb 0.45 -2.78 -0.05 0.00 -0.02 0.00 0.00 35.03 32.63 2wh3 n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wh3 s ARG 157 N -0.72 0.05 -0.48 1.97 3.52 -1.26 -5.11 118.95 116.92 2wh3 s ARG 157 Ca 0.37 0.02 -0.33 0.00 -0.13 0.00 0.00 55.73 55.66 2wh3 s ARG 157 Cb 0.07 0.02 -0.12 0.00 -1.56 0.00 0.00 34.95 33.37 2wh3 s ARG 157 CO 0.04 -0.01 2.31 1.28 -0.81 0.00 0.00 175.30 178.11 2wh3 n LEU 158 N 0.73 1.86 -4.19 -0.88 4.32 -1.26 -4.91 117.00 112.66 2wh3 n LEU 158 Ca -0.02 0.21 -0.35 0.00 -0.02 0.00 0.00 56.01 55.83 2wh3 n LEU 158 Cb 0.58 -1.26 0.11 0.00 -1.62 0.00 0.00 43.42 41.23 2wh3 n LEU 158 CO 0.06 -0.89 -0.99 -2.65 -1.22 0.00 0.00 177.39 171.70 2wh3 n PRO 159 N 8.39 -0.77 0.00 3.23 -0.02 -1.26 -4.90 135.00 139.67 2wh3 n PRO 159 Ca 0.45 -0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 2wh3 n PRO 159 Cb 0.25 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.30 2wh3 n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wh3 n ASP 160 N 0.36 1.85 -3.68 2.55 8.00 -1.16 -5.00 116.55 119.47 2wh3 n ASP 160 Ca 0.01 -1.41 0.02 0.00 0.71 0.00 0.00 54.79 54.12 2wh3 n ASP 160 Cb 0.64 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 2wh3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wh3 s ALA 161 N -2.52 -2.35 0.01 2.24 0.00 -1.25 -4.15 121.76 113.74 2wh3 s ALA 161 Ca 0.18 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 2wh3 s ALA 161 Cb 0.18 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2wh3 s ALA 161 CO 0.59 -1.09 0.00 0.96 0.00 0.00 0.00 175.76 176.22 2wh3 s ILE 162 N -2.23 0.06 -0.19 0.00 -4.36 -1.12 -2.63 121.20 110.73 2wh3 s ILE 162 Ca 0.20 -0.49 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 2wh3 s ILE 162 Cb 0.03 -0.17 0.02 0.00 1.25 0.00 0.00 42.46 43.59 2wh3 s ILE 162 CO -0.03 -0.27 -0.18 0.12 0.24 0.00 0.00 174.94 174.82 2wh3 s PHE 163 N -0.80 2.82 0.28 1.37 2.19 0.16 -1.72 117.98 122.27 2wh3 s PHE 163 Ca -0.09 -1.58 0.09 0.00 0.33 0.00 0.00 56.93 55.68 2wh3 s PHE 163 Cb -0.05 -1.95 -0.06 0.00 -1.31 0.00 0.00 43.02 39.65 2wh3 s PHE 163 CO -0.00 -0.78 -0.11 0.08 1.83 0.00 0.00 175.22 176.23 2wh3 s VAL 164 N 1.31 1.96 -0.16 3.12 1.01 -0.65 0.21 120.40 127.20 2wh3 s VAL 164 Ca 0.05 -2.22 -0.16 0.00 0.00 0.00 0.00 61.98 59.64 2wh3 s VAL 164 Cb -0.13 -2.37 -0.13 0.00 0.00 0.00 0.00 36.38 33.74 2wh3 s VAL 164 CO -0.11 -0.36 0.19 -0.37 0.00 0.00 0.00 175.10 174.44 2wh3 h VAL 165 N 2.28 0.71 -3.72 2.92 -1.51 -1.44 -2.55 116.25 112.93 2wh3 h VAL 165 Ca -0.40 -1.71 -0.65 0.00 -1.23 0.00 0.00 66.70 62.71 2wh3 h VAL 165 Cb 1.24 1.52 -0.38 0.00 -2.13 0.00 0.00 31.29 31.54 2wh3 h VAL 165 CO 0.65 0.24 -0.77 -0.62 -1.23 0.00 0.00 177.57 175.84 2wh3 s ASP 166 N -6.22 4.36 0.33 4.19 3.68 -1.26 -3.90 116.67 117.85 2wh3 s ASP 166 Ca -0.18 -1.56 0.08 0.00 2.13 0.00 0.00 52.55 53.02 2wh3 s ASP 166 Cb 0.02 -1.44 0.45 0.00 -1.45 0.00 0.00 42.92 40.50 2wh3 s ASP 166 CO 0.42 -0.26 1.09 1.55 0.13 0.00 0.00 175.17 178.10 2wh3 h PRO 167 N 7.79 0.00 0.00 4.34 0.13 -1.88 -1.13 132.00 141.25 2wh3 h PRO 167 Ca -0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 2wh3 h PRO 167 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2wh3 h PRO 167 CO 0.46 0.00 -1.04 0.25 -0.23 0.00 0.00 178.00 177.44 2wh3 n THR 168 N -1.95 1.28 -0.43 1.56 -2.24 -1.26 -3.45 114.28 107.79 2wh3 n THR 168 Ca -0.01 0.09 0.40 0.00 -2.27 0.00 0.00 64.05 62.27 2wh3 n THR 168 Cb 0.49 -1.98 0.71 0.00 -2.10 0.00 0.00 70.33 67.45 2wh3 n THR 168 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wh3 h LYS 169 N -0.64 0.00 0.00 -0.78 3.11 -1.72 1.54 116.57 118.07 2wh3 h LYS 169 Ca -0.13 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2wh3 h LYS 169 Cb 0.87 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.05 2wh3 h LYS 169 CO -0.08 0.00 -0.40 0.39 -2.81 0.00 0.00 179.45 176.55 2wh3 n GLU 170 N -3.82 1.14 0.03 1.90 4.71 -0.50 -4.76 120.64 119.34 2wh3 n GLU 170 Ca 0.32 -2.68 0.21 0.00 -0.01 0.00 0.00 57.16 55.00 2wh3 n GLU 170 Cb 1.60 -1.27 0.73 0.00 -1.01 0.00 0.00 31.44 31.48 2wh3 n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wh3 h ALA 171 N 0.57 2.34 -0.75 0.62 0.00 0.22 0.92 119.26 123.18 2wh3 h ALA 171 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2wh3 h ALA 171 Cb 1.15 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2wh3 h ALA 171 CO 0.01 -0.70 0.42 0.82 0.00 0.00 0.00 179.25 179.81 2wh3 h ILE 172 N 0.00 0.93 0.82 0.00 5.03 -1.86 -0.11 117.51 122.33 2wh3 h ILE 172 Ca 0.24 -0.25 -0.04 0.00 -0.12 0.00 0.00 64.86 64.69 2wh3 h ILE 172 Cb 1.11 0.13 0.01 0.00 -3.03 0.00 0.00 36.82 35.04 2wh3 h ILE 172 CO -0.00 0.13 -0.40 0.00 -0.68 0.00 0.00 178.15 177.21 2wh3 h ALA 173 N 1.40 -1.11 -0.97 1.87 0.00 0.49 -2.27 119.26 118.68 2wh3 h ALA 173 Ca 0.35 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.27 2wh3 h ALA 173 Cb 0.28 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2wh3 h ALA 173 CO -0.22 -1.12 0.52 0.28 0.00 0.00 0.00 179.25 178.71 2wh3 h VAL 174 N -1.11 0.46 0.37 0.00 2.07 -1.04 -0.93 116.25 116.08 2wh3 h VAL 174 Ca -0.11 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2wh3 h VAL 174 Cb 0.85 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2wh3 h VAL 174 CO 0.19 0.09 -0.22 -0.09 0.02 0.00 0.00 177.57 177.55 2wh3 h ARG 175 N 0.47 -0.52 -0.93 1.57 2.43 -0.64 0.83 114.38 117.59 2wh3 h ARG 175 Ca 0.64 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 60.11 2wh3 h ARG 175 Cb 1.26 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.79 2wh3 h ARG 175 CO -0.52 -0.35 0.38 0.93 -1.51 0.00 0.00 179.97 178.90 2wh3 h GLU 176 N -0.54 0.28 0.15 0.20 5.08 -0.76 0.22 114.58 119.20 2wh3 h GLU 176 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2wh3 h GLU 176 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2wh3 h GLU 176 CO 0.05 0.18 -0.07 0.00 -1.00 0.00 0.00 179.01 178.18 2wh3 h ALA 177 N 1.80 -0.34 -0.97 3.43 0.00 -1.01 -3.04 119.26 119.13 2wh3 h ALA 177 Ca 0.62 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.80 2wh3 h ALA 177 Cb 1.31 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 2wh3 h ALA 177 CO -0.62 -0.33 0.26 -0.09 0.00 0.00 0.00 179.25 178.47 2wh3 h ARG 178 N -0.54 0.07 -0.51 0.00 9.65 0.10 1.41 114.38 124.57 2wh3 h ARG 178 Ca -0.02 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2wh3 h ARG 178 Cb 0.15 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 2wh3 h ARG 178 CO 0.03 0.05 0.21 -0.22 2.80 0.00 0.00 179.97 182.84 2wh3 h LYS 179 N 0.07 0.40 -0.84 0.20 3.64 -0.68 -1.60 116.57 117.76 2wh3 h LYS 179 Ca 0.67 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 60.02 2wh3 h LYS 179 Cb 1.52 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2wh3 h LYS 179 CO -0.80 0.26 0.01 1.28 -2.27 0.00 0.00 179.45 177.93 2wh3 n LEU 180 N -4.96 2.94 -2.94 5.20 4.77 0.48 -4.96 117.00 117.51 2wh3 n LEU 180 Ca 0.05 -1.49 -0.06 0.00 -0.03 0.00 0.00 56.01 54.49 2wh3 n LEU 180 Cb 0.18 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2wh3 n LEU 180 CO 0.26 0.41 -0.37 0.49 -1.33 0.00 0.00 177.39 176.85 2wh3 n PHE 181 N 0.23 -2.80 -3.45 -1.77 3.72 -0.60 -5.03 117.46 107.77 2wh3 n PHE 181 Ca 0.11 1.21 -0.06 0.00 -0.05 0.00 0.00 57.45 58.66 2wh3 n PHE 181 Cb 0.64 -3.06 -0.07 0.00 -0.94 0.00 0.00 39.48 36.05 2wh3 n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2wh3 s ILE 182 N -1.65 -0.73 0.02 4.37 1.01 -1.24 -4.97 121.20 118.02 2wh3 s ILE 182 Ca 0.09 0.03 -0.39 0.00 0.00 0.00 0.00 60.65 60.37 2wh3 s ILE 182 Cb -0.02 -0.81 -0.20 0.00 0.01 0.00 0.00 42.46 41.44 2wh3 s ILE 182 CO 0.60 -0.03 1.06 -2.65 0.00 0.00 0.00 174.94 173.93 2wh3 n PRO 183 N 5.39 0.08 -3.49 2.79 -0.02 -1.26 -4.40 135.00 134.09 2wh3 n PRO 183 Ca -0.06 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.07 2wh3 n PRO 183 Cb 0.50 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2wh3 n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wh3 s VAL 184 N -0.02 5.24 -0.05 -1.45 1.01 -1.26 -2.80 120.40 121.07 2wh3 s VAL 184 Ca 0.89 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 2wh3 s VAL 184 Cb -1.23 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 31.55 2wh3 s VAL 184 CO 0.56 0.18 0.03 -0.63 0.00 0.00 0.00 175.10 175.24 2wh3 s ILE 185 N 1.91 0.10 0.05 2.22 1.01 -0.70 -0.62 121.20 125.17 2wh3 s ILE 185 Ca 0.11 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.74 2wh3 s ILE 185 Cb -0.16 -0.29 0.09 0.00 0.01 0.00 0.00 42.46 42.11 2wh3 s ILE 185 CO 0.11 0.19 0.81 0.00 0.00 0.00 0.00 174.94 176.04 2wh3 s ALA 186 N 1.80 -1.75 -0.53 9.38 0.00 -1.24 -1.64 121.76 127.77 2wh3 s ALA 186 Ca 0.01 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 2wh3 s ALA 186 Cb -0.12 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.57 2wh3 s ALA 186 CO -0.03 -0.72 1.30 -1.17 0.00 0.00 0.00 175.76 175.13 2wh3 s LEU 187 N -2.57 3.48 0.00 0.00 1.98 -0.96 -2.62 118.68 117.99 2wh3 s LEU 187 Ca 0.04 0.33 0.03 0.00 -2.89 0.00 0.00 54.13 51.64 2wh3 s LEU 187 Cb -0.01 -3.24 0.03 0.00 0.66 0.00 0.00 46.19 43.63 2wh3 s LEU 187 CO -0.10 -1.52 0.24 0.00 -1.89 0.00 0.00 176.35 173.08 2wh3 n ALA 188 N 8.82 0.42 -3.00 5.97 0.00 -0.79 -4.28 120.51 127.65 2wh3 n ALA 188 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2wh3 n ALA 188 Cb 0.49 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.24 2wh3 n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh3 n ASP 189 N -2.33 0.00 0.12 0.00 5.75 -1.26 -0.16 116.55 118.67 2wh3 n ASP 189 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.79 2wh3 n ASP 189 Cb 0.25 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.51 2wh3 n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wh3 h THR 190 N 0.00 1.41 0.00 2.12 1.35 -1.93 -2.84 112.91 113.02 2wh3 h THR 190 Ca 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2wh3 h THR 190 Cb 0.00 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2wh3 h THR 190 CO 0.00 0.58 0.00 -0.67 -0.25 0.00 0.00 175.52 175.18 2wh3 n ASP 191 N -3.85 0.00 -0.09 5.36 4.64 -1.26 -2.56 116.55 118.79 2wh3 n ASP 191 Ca -0.02 0.31 0.00 0.00 -1.38 0.00 0.00 54.79 53.70 2wh3 n ASP 191 Cb 0.60 -0.31 0.00 0.00 -1.04 0.00 0.00 41.12 40.37 2wh3 n ASP 191 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wh3 n SER 192 N -1.31 0.00 -4.05 1.67 7.64 -1.07 -4.76 113.62 111.74 2wh3 n SER 192 Ca 0.00 -0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 2wh3 n SER 192 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.08 2wh3 n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wh3 s ASP 193 N 1.18 0.94 0.00 6.43 3.84 -1.26 -4.36 116.67 123.43 2wh3 s ASP 193 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.15 2wh3 s ASP 193 Cb 0.00 -0.02 0.00 0.00 -1.38 0.00 0.00 42.92 41.52 2wh3 s ASP 193 CO 0.00 -0.08 0.19 -0.81 -0.00 0.00 0.00 175.17 174.47 2wh3 n PRO 194 N 1.97 0.00 0.00 2.11 -0.04 -1.26 -4.35 135.00 133.43 2wh3 n PRO 194 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2wh3 n PRO 194 Cb 0.56 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 2wh3 n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wh3 n ASP 195 N -0.22 0.00 -0.26 3.54 9.92 -1.26 0.63 116.55 128.90 2wh3 n ASP 195 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wh3 n ASP 195 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wh3 n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wh3 n LEU 196 N 0.00 0.36 -4.06 0.64 -0.00 -1.26 -4.61 117.00 108.07 2wh3 n LEU 196 Ca 0.00 -0.18 -0.32 0.00 -0.00 0.00 0.00 56.01 55.51 2wh3 n LEU 196 Cb 0.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 43.42 43.09 2wh3 n LEU 196 CO 0.00 0.09 -0.47 -0.69 -0.00 0.00 0.00 177.39 176.32 2wh3 s VAL 197 N -1.48 2.04 0.08 1.47 1.01 0.21 -4.87 120.40 118.86 2wh3 s VAL 197 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 2wh3 s VAL 197 Cb 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 36.38 34.11 2wh3 s VAL 197 CO 0.00 0.09 1.70 0.44 0.00 0.00 0.00 175.10 177.32 2wh3 h ASP 198 N 7.84 -0.17 -3.41 3.32 3.45 -1.73 -3.39 116.42 122.33 2wh3 h ASP 198 Ca -0.25 -0.01 -0.61 0.00 0.43 0.00 0.00 57.03 56.59 2wh3 h ASP 198 Cb 1.07 0.04 -0.40 0.00 -0.56 0.00 0.00 39.33 39.48 2wh3 h ASP 198 CO 0.49 -0.11 -0.75 -0.31 -1.57 0.00 0.00 179.24 177.00 2wh3 s TYR 199 N -6.10 2.55 0.21 4.55 4.12 0.21 -4.97 117.35 117.92 2wh3 s TYR 199 Ca -0.14 -2.21 -0.18 0.00 0.02 0.00 0.00 57.07 54.56 2wh3 s TYR 199 Cb 0.05 -2.15 -0.08 0.00 -1.52 0.00 0.00 41.96 38.26 2wh3 s TYR 199 CO 0.65 -0.89 0.68 0.42 0.02 0.00 0.00 175.55 176.43 2wh3 s ILE 200 N 1.33 4.65 -0.61 2.71 1.01 -1.26 -3.71 121.20 125.32 2wh3 s ILE 200 Ca 0.09 1.15 0.06 0.00 0.00 0.00 0.00 60.65 61.94 2wh3 s ILE 200 Cb -0.18 -3.81 0.22 0.00 0.01 0.00 0.00 42.46 38.70 2wh3 s ILE 200 CO -0.17 0.19 0.63 -0.38 0.00 0.00 0.00 174.94 175.21 2wh3 n ILE 201 N 0.67 1.54 -1.65 2.92 2.08 -1.08 -4.55 119.36 119.30 2wh3 n ILE 201 Ca -0.03 -4.85 -0.48 0.00 0.56 0.00 0.00 62.75 57.95 2wh3 n ILE 201 Cb 0.51 -2.08 -0.05 0.00 -0.75 0.00 0.00 39.64 37.28 2wh3 n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2wh3 n PRO 202 N 1.34 2.09 0.00 0.38 -0.04 -1.26 -1.89 135.00 135.62 2wh3 n PRO 202 Ca 0.26 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2wh3 n PRO 202 Cb 0.41 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2wh3 n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wh3 n GLY 203 N 4.80 0.83 3.74 0.55 0.00 0.77 -4.86 105.19 111.03 2wh3 n GLY 203 Ca 0.25 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2wh3 n GLY 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wh3 s ASN 204 N 0.00 6.42 0.00 1.61 2.47 -1.26 -4.20 114.94 119.98 2wh3 s ASN 204 Ca 0.00 2.89 0.01 0.00 0.42 0.00 0.00 52.86 56.18 2wh3 s ASN 204 Cb 0.00 -2.63 -0.01 0.00 -1.45 0.00 0.00 41.25 37.17 2wh3 s ASN 204 CO 0.00 -0.89 0.19 -0.90 -3.72 0.00 0.00 177.10 171.78 2wh3 n ASP 205 N 2.54 0.35 0.07 -4.21 5.75 -1.26 -4.60 116.55 115.19 2wh3 n ASP 205 Ca 0.09 -0.68 0.12 0.00 -0.01 0.00 0.00 54.79 54.31 2wh3 n ASP 205 Cb 0.37 0.72 0.12 0.00 -1.03 0.00 0.00 41.12 41.31 2wh3 n ASP 205 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wh3 h ASP 206 N 0.08 0.00 -3.48 -1.12 5.19 -1.93 -3.47 116.42 111.69 2wh3 h ASP 206 Ca 0.00 -0.19 -0.66 0.00 -0.62 0.00 0.00 57.03 55.56 2wh3 h ASP 206 Cb 0.04 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 39.33 2wh3 h ASP 206 CO 0.00 0.09 -0.71 0.00 -3.12 0.00 0.00 179.24 175.51 2wh3 s ALA 207 N -3.21 2.88 0.10 3.45 0.00 -1.26 -4.88 121.76 118.84 2wh3 s ALA 207 Ca 0.05 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 2wh3 s ALA 207 Cb 0.13 -1.33 -0.11 0.00 0.00 0.00 0.00 23.12 21.81 2wh3 s ALA 207 CO 0.74 0.37 1.68 0.82 0.00 0.00 0.00 175.76 179.37 2wh3 h ILE 208 N 4.85 0.66 -0.82 0.00 2.04 -1.90 -1.77 117.51 120.57 2wh3 h ILE 208 Ca -0.37 0.00 0.34 0.00 1.00 0.00 0.00 64.86 65.83 2wh3 h ILE 208 Cb 1.19 0.66 -0.15 0.00 -0.74 0.00 0.00 36.82 37.78 2wh3 h ILE 208 CO 0.57 0.00 0.42 0.54 0.00 0.00 0.00 178.15 179.68 2wh3 n ARG 209 N -5.28 -0.05 -0.01 2.37 5.12 -1.26 0.87 116.66 118.43 2wh3 n ARG 209 Ca -0.07 1.14 -0.11 0.00 -1.93 0.00 0.00 57.85 56.87 2wh3 n ARG 209 Cb 0.19 -2.03 -0.14 0.00 -1.16 0.00 0.00 32.46 29.32 2wh3 n ARG 209 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wh3 h SER 210 N 0.00 0.10 -0.29 0.55 0.87 -1.61 -3.32 113.55 109.84 2wh3 h SER 210 Ca 0.69 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.96 2wh3 h SER 210 Cb 1.81 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 2wh3 h SER 210 CO -0.64 1.18 -0.18 0.40 -0.53 0.00 0.00 176.83 177.06 2wh3 h ILE 211 N 0.02 1.30 -0.69 2.23 2.04 0.14 -2.84 117.51 119.70 2wh3 h ILE 211 Ca -0.29 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.35 2wh3 h ILE 211 Cb 2.00 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 39.54 2wh3 h ILE 211 CO 0.09 0.41 0.36 -0.61 0.00 0.00 0.00 178.15 178.40 2wh3 h GLN 212 N 0.37 0.62 0.97 2.37 -0.00 -0.10 0.13 115.11 119.47 2wh3 h GLN 212 Ca 0.06 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.62 2wh3 h GLN 212 Cb 0.72 -0.14 0.01 0.00 0.00 0.00 0.00 27.48 28.07 2wh3 h GLN 212 CO 0.05 0.41 -0.47 1.25 0.00 0.00 0.00 178.83 180.07 2wh3 h LEU 213 N 0.64 -1.11 -2.01 -2.39 6.46 -1.64 -1.22 115.31 114.04 2wh3 h LEU 213 Ca 0.33 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 2wh3 h LEU 213 Cb 0.30 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2wh3 h LEU 213 CO -0.23 -0.78 -0.02 0.40 -0.62 0.00 0.00 178.44 177.19 2wh3 h ILE 214 N -1.34 0.97 0.05 4.05 1.08 -1.25 -0.64 117.51 120.43 2wh3 h ILE 214 Ca -0.13 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2wh3 h ILE 214 Cb 1.00 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 2wh3 h ILE 214 CO 0.22 0.02 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.60 2wh3 h LEU 215 N 0.00 -0.05 0.00 1.44 -0.00 -0.65 -2.39 115.31 113.67 2wh3 h LEU 215 Ca -0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2wh3 h LEU 215 Cb 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2wh3 h LEU 215 CO 0.00 0.58 0.00 -0.24 -0.00 0.00 0.00 178.44 178.79 2wh3 n SER 216 N -4.81 0.00 -0.16 -0.43 2.88 -0.47 -0.39 113.62 110.24 2wh3 n SER 216 Ca -0.09 0.82 0.27 0.00 -1.33 0.00 0.00 58.87 58.54 2wh3 n SER 216 Cb 0.31 -0.34 0.50 0.00 -0.75 0.00 0.00 64.21 63.93 2wh3 n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2wh3 h ARG 217 N 0.00 0.00 0.00 -1.46 2.47 -1.30 0.17 114.38 114.27 2wh3 h ARG 217 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wh3 h ARG 217 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wh3 h ARG 217 CO 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 179.97 180.30 2wh3 h ALA 218 N 0.71 0.00 -1.01 0.04 0.00 -1.20 -2.82 119.26 114.98 2wh3 h ALA 218 Ca 0.44 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 55.34 2wh3 h ALA 218 Cb 2.59 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 20.50 2wh3 h ALA 218 CO -0.00 0.23 0.63 0.28 0.00 0.00 0.00 179.25 180.38 2wh3 h VAL 219 N -0.88 0.59 0.58 0.00 2.07 0.54 -0.70 116.25 118.45 2wh3 h VAL 219 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2wh3 h VAL 219 Cb 0.23 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2wh3 h VAL 219 CO 0.00 0.10 -0.28 0.44 0.02 0.00 0.00 177.57 177.85 2wh3 h ASP 220 N 0.55 -0.66 0.00 0.57 3.32 -0.86 0.80 116.42 120.14 2wh3 h ASP 220 Ca 0.60 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2wh3 h ASP 220 Cb 1.23 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2wh3 h ASP 220 CO -0.37 -0.36 0.00 0.18 -1.72 0.00 0.00 179.24 176.97 2wh3 n LEU 221 N -5.36 0.50 0.00 1.55 7.99 -0.28 -0.16 117.00 121.23 2wh3 n LEU 221 Ca -0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 56.01 55.63 2wh3 n LEU 221 Cb 0.34 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 2wh3 n LEU 221 CO 0.34 0.09 -0.18 -0.38 -1.51 0.00 0.00 177.39 175.74 2wh3 n ILE 222 N 0.74 0.00 1.10 -0.08 5.41 -0.94 -4.52 119.36 121.06 2wh3 n ILE 222 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 2wh3 n ILE 222 Cb 0.09 -0.72 0.55 0.00 -0.71 0.00 0.00 39.64 38.85 2wh3 n ILE 222 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2wh3 n ILE 223 N -2.51 0.21 -0.05 1.39 -5.35 0.77 -2.41 119.36 111.41 2wh3 n ILE 223 Ca 0.00 0.05 -0.19 0.00 -0.27 0.00 0.00 62.75 62.35 2wh3 n ILE 223 Cb 0.18 -0.73 -0.13 0.00 -1.74 0.00 0.00 39.64 37.22 2wh3 n ILE 223 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2wh3 h GLN 224 N 0.00 0.08 -2.08 6.28 4.15 -1.21 -2.26 115.11 120.06 2wh3 h GLN 224 Ca 0.00 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.16 2wh3 h GLN 224 Cb 0.09 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 2wh3 h GLN 224 CO 0.00 1.07 -0.21 0.00 -1.93 0.00 0.00 178.83 177.76 2wh3 n ALA 225 N -2.94 5.18 -1.00 3.38 0.00 -1.01 -3.46 120.51 120.65 2wh3 n ALA 225 Ca -0.21 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2wh3 n ALA 225 Cb 0.67 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2wh3 n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wh3 n ARG 226 N 2.27 0.00 0.00 0.00 0.63 -1.23 -4.42 116.66 113.91 2wh3 n ARG 226 Ca 0.27 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2wh3 n ARG 226 Cb 0.71 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.62 2wh3 n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wh3 n GLY 227 N 0.01 3.94 0.00 5.14 0.00 -0.85 -5.08 105.19 108.35 2wh3 n GLY 227 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2wh3 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 228 N 0.00 1.84 3.42 -0.02 0.00 -1.26 -5.03 105.19 104.14 2wh3 n GLY 228 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh3 n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh3 n VAL 229 N -0.44 1.57 -4.27 1.61 0.31 -1.26 -5.01 118.33 110.84 2wh3 n VAL 229 Ca 0.00 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 2wh3 n VAL 229 Cb 0.00 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.45 2wh3 n VAL 229 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wh3 s VAL 230 N -1.44 2.18 0.91 2.52 -7.23 -1.26 -5.15 120.40 110.93 2wh3 s VAL 230 Ca 0.62 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.86 2wh3 s VAL 230 Cb -0.65 -2.96 0.23 0.00 0.56 0.00 0.00 36.38 33.56 2wh3 s VAL 230 CO 0.59 0.00 0.85 -1.84 -0.31 0.00 0.00 175.10 174.39 2wh3 n GLU 231 N -1.18 -2.45 -1.43 4.82 0.28 -1.26 -4.83 120.64 114.59 2wh3 n GLU 231 Ca -0.03 -1.36 -0.50 0.00 -0.16 0.00 0.00 57.16 55.12 2wh3 n GLU 231 Cb 0.65 -1.22 -0.08 0.00 1.43 0.00 0.00 31.44 32.22 2wh3 n GLU 231 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2wh3 n PRO 232 N -3.94 0.88 -1.64 3.44 -0.02 -1.26 -4.87 135.00 127.60 2wh3 n PRO 232 Ca 0.12 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2wh3 n PRO 232 Cb 0.45 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2wh3 n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wh3 n SER 233 N 10.10 1.85 -4.69 2.55 2.88 -1.26 -4.84 113.62 120.20 2wh3 n SER 233 Ca 0.44 1.16 -0.43 0.00 -1.33 0.00 0.00 58.87 58.72 2wh3 n SER 233 Cb 0.21 -1.38 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 2wh3 n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wh3 n PRO 234 N 0.55 2.70 0.00 -1.46 -0.04 -1.26 -4.75 135.00 130.73 2wh3 n PRO 234 Ca 0.08 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 2wh3 n PRO 234 Cb 0.35 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 2wh3 n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wh3 n SER 235 N 5.10 0.00 -0.88 3.54 3.41 -1.26 -4.88 113.62 118.65 2wh3 n SER 235 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2wh3 n SER 235 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2wh3 n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wh3 n TYR 236 N -1.50 0.00 -0.13 7.33 4.02 -1.26 -4.18 117.16 121.44 2wh3 n TYR 236 Ca 0.00 -0.21 0.28 0.00 -0.01 0.00 0.00 57.90 57.96 2wh3 n TYR 236 Cb 0.00 -0.15 0.69 0.00 -0.02 0.00 0.00 39.34 39.86 2wh3 n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wh3 h ALA 237 N 1.89 2.68 0.00 -0.72 0.00 -1.98 -3.27 119.26 117.86 2wh3 h ALA 237 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wh3 h ALA 237 Cb 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wh3 h ALA 237 CO 0.00 -1.19 -0.04 1.47 0.00 0.00 0.00 179.25 179.48 2wh3 n LEU 238 N -3.80 -0.15 -4.56 0.00 -0.00 -1.26 -5.08 117.00 102.14 2wh3 n LEU 238 Ca 0.18 -0.32 -0.22 0.00 -0.00 0.00 0.00 56.01 55.65 2wh3 n LEU 238 Cb 1.05 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.40 2wh3 n LEU 238 CO 0.32 0.66 1.30 -0.69 -0.00 0.00 0.00 177.39 178.98 2wh3 s VAL 239 N 0.00 3.29 0.00 1.47 1.01 -1.23 -4.33 120.40 120.61 2wh3 s VAL 239 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2wh3 s VAL 239 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2wh3 s VAL 239 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 175.10 174.51 2wh3 n GLN 240 N 8.70 0.00 0.00 2.72 6.02 -1.26 -4.98 117.38 128.57 2wh3 n GLN 240 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2wh3 n GLN 240 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 2wh3 n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14