#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s LYS 2 N 0.00 3.33 0.48 3.17 2.20 -1.26 -5.08 119.74 122.58 2wh2 s LYS 2 Ca 0.00 -0.70 -0.23 0.00 -0.36 0.00 0.00 55.97 54.69 2wh2 s LYS 2 Cb 0.00 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 2wh2 s LYS 2 CO 0.00 -0.33 1.07 2.41 -0.36 0.00 0.00 175.35 178.14 2wh2 n THR 3 N 4.89 2.86 -1.48 3.43 -1.04 -1.26 -4.91 114.28 116.77 2wh2 n THR 3 Ca -0.15 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 60.98 2wh2 n THR 3 Cb 0.49 -1.27 0.05 0.00 -1.82 0.00 0.00 70.33 67.78 2wh2 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wh2 n TYR 4 N -0.79 -0.18 -3.79 -1.42 9.36 -1.26 -5.02 117.16 114.06 2wh2 n TYR 4 Ca 0.10 0.42 -0.26 0.00 3.32 0.00 0.00 57.90 61.48 2wh2 n TYR 4 Cb 0.42 -2.01 -0.17 0.00 -0.63 0.00 0.00 39.34 36.95 2wh2 n TYR 4 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wh2 s VAL 5 N -1.69 0.62 0.00 2.97 1.01 -1.26 -5.11 120.40 116.94 2wh2 s VAL 5 Ca 0.71 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2wh2 s VAL 5 Cb -0.41 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2wh2 s VAL 5 CO 0.52 0.06 0.00 -2.65 0.00 0.00 0.00 175.10 173.03 2wh2 n PRO 6 N 5.04 -1.24 -3.54 2.72 -0.02 -1.26 -5.07 135.00 131.62 2wh2 n PRO 6 Ca -0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.22 2wh2 n PRO 6 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 2wh2 n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wh2 s LYS 7 N -2.40 1.03 -0.09 -0.52 1.02 -1.26 -5.05 119.74 112.46 2wh2 s LYS 7 Ca 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 2wh2 s LYS 7 Cb 0.00 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.76 2wh2 s LYS 7 CO 0.00 -0.33 0.56 1.04 -0.92 0.00 0.00 175.35 175.71 2wh2 n GLN 8 N 0.86 0.00 -2.94 1.68 6.02 -1.26 -4.83 117.38 116.91 2wh2 n GLN 8 Ca -0.19 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.54 2wh2 n GLN 8 Cb 0.57 -0.46 -0.00 0.00 1.02 0.00 0.00 30.24 31.37 2wh2 n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wh2 s VAL 9 N 0.00 4.93 0.08 5.09 1.01 -1.26 -5.04 120.40 125.21 2wh2 s VAL 9 Ca 0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2wh2 s VAL 9 Cb -0.08 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2wh2 s VAL 9 CO 0.05 -0.71 1.25 -0.70 0.00 0.00 0.00 175.10 174.99 2wh2 s GLU 10 N -4.57 4.40 -0.29 2.72 2.56 -1.26 -4.98 118.70 117.27 2wh2 s GLU 10 Ca 0.45 1.85 -0.28 0.00 0.00 0.00 0.00 54.97 56.99 2wh2 s GLU 10 Cb -0.10 -3.32 0.01 0.00 2.00 0.00 0.00 34.13 32.72 2wh2 s GLU 10 CO 0.41 -0.31 1.01 -1.25 -0.56 0.00 0.00 175.26 174.56 2wh2 s PRO 11 N 1.07 4.10 0.21 4.30 0.04 -1.26 -5.03 135.00 138.43 2wh2 s PRO 11 Ca 0.60 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 2wh2 s PRO 11 Cb -0.32 -3.71 -0.08 0.00 0.04 0.00 0.00 34.50 30.43 2wh2 s PRO 11 CO 0.29 -0.78 0.78 -0.98 0.04 0.00 0.00 177.00 176.36 2wh2 s ARG 12 N 3.38 4.44 0.37 4.56 1.70 -1.26 -4.88 118.95 127.26 2wh2 s ARG 12 Ca 0.42 1.07 0.01 0.00 -0.47 0.00 0.00 55.73 56.76 2wh2 s ARG 12 Cb -0.13 -3.04 -0.03 0.00 -0.57 0.00 0.00 34.95 31.18 2wh2 s ARG 12 CO 0.12 0.46 0.57 -1.58 -1.08 0.00 0.00 175.30 173.79 2wh2 s TRP 13 N -1.37 3.45 0.16 5.89 0.52 -1.26 -2.69 118.94 123.63 2wh2 s TRP 13 Ca 0.41 0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.87 2wh2 s TRP 13 Cb -0.20 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.11 2wh2 s TRP 13 CO 0.24 0.04 -0.00 0.08 0.02 0.00 0.00 176.95 177.32 2wh2 s VAL 14 N -2.36 0.63 -0.02 4.03 1.01 -0.78 -3.56 120.40 119.34 2wh2 s VAL 14 Ca 0.41 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.43 2wh2 s VAL 14 Cb -0.10 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.24 2wh2 s VAL 14 CO 0.36 -0.52 0.01 -0.22 0.00 0.00 0.00 175.10 174.73 2wh2 s LEU 15 N -3.15 1.23 -0.06 3.92 1.98 -1.01 -2.02 118.68 119.58 2wh2 s LEU 15 Ca 0.23 -0.01 -0.04 0.00 -2.89 0.00 0.00 54.13 51.42 2wh2 s LEU 15 Cb 0.06 -0.16 0.03 0.00 0.66 0.00 0.00 46.19 46.78 2wh2 s LEU 15 CO 0.03 -0.10 0.15 -0.51 -1.89 0.00 0.00 176.35 174.04 2wh2 s ILE 16 N 0.92 -0.02 -0.48 6.68 2.07 -0.09 0.46 121.20 130.73 2wh2 s ILE 16 Ca -0.09 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2wh2 s ILE 16 Cb -0.12 -0.23 0.13 0.00 0.13 0.00 0.00 42.46 42.37 2wh2 s ILE 16 CO -0.02 0.03 0.25 -0.62 -1.91 0.00 0.00 174.94 172.67 2wh2 s ASP 17 N 0.54 4.03 -0.40 4.50 3.68 -1.26 -1.34 116.67 126.42 2wh2 s ASP 17 Ca -0.04 -2.84 0.01 0.00 2.13 0.00 0.00 52.55 51.81 2wh2 s ASP 17 Cb -0.05 -1.38 0.41 0.00 -1.45 0.00 0.00 42.92 40.45 2wh2 s ASP 17 CO -0.03 -0.25 1.84 0.00 0.13 0.00 0.00 175.17 176.86 2wh2 n ALA 18 N 3.31 5.21 0.07 3.66 0.00 -1.26 -4.56 120.51 126.93 2wh2 n ALA 18 Ca 0.06 -2.31 0.03 0.00 0.00 0.00 0.00 53.44 51.23 2wh2 n ALA 18 Cb 0.33 -1.44 0.16 0.00 0.00 0.00 0.00 19.45 18.51 2wh2 n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wh2 n GLU 19 N -0.49 0.04 0.00 0.00 -0.00 -1.25 -0.50 120.64 118.44 2wh2 n GLU 19 Ca 0.45 0.44 0.00 0.00 -0.00 0.00 0.00 57.16 58.04 2wh2 n GLU 19 Cb 1.01 -1.83 0.00 0.00 -0.00 0.00 0.00 31.44 30.62 2wh2 n GLU 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wh2 n GLY 20 N -1.31 -1.06 3.93 -1.84 0.00 -1.26 -3.25 105.19 100.40 2wh2 n GLY 20 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2wh2 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 21 N -0.09 2.87 -0.54 1.61 -0.14 0.35 -4.47 119.74 119.33 2wh2 s LYS 21 Ca 0.00 -0.20 -0.28 0.00 -1.36 0.00 0.00 55.97 54.13 2wh2 s LYS 21 Cb 0.00 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.82 2wh2 s LYS 21 CO 0.00 -0.64 1.25 0.99 -0.76 0.00 0.00 175.35 176.20 2wh2 s THR 22 N -2.89 3.99 0.15 2.17 2.01 -1.26 -1.53 115.64 118.27 2wh2 s THR 22 Ca 0.53 0.91 -0.34 0.00 0.31 0.00 0.00 61.69 63.10 2wh2 s THR 22 Cb -0.10 -4.59 -0.15 0.00 0.01 0.00 0.00 72.50 67.67 2wh2 s THR 22 CO 0.43 -1.19 1.47 -0.11 -0.69 0.00 0.00 174.62 174.54 2wh2 n LEU 23 N 8.63 2.59 0.00 4.42 0.00 -1.12 -0.38 117.00 131.14 2wh2 n LEU 23 Ca 0.11 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.22 2wh2 n LEU 23 Cb 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.56 2wh2 n LEU 23 CO 0.71 -0.58 0.00 0.61 0.00 0.00 0.00 177.39 178.14 2wh2 n GLY 24 N 2.98 2.24 0.00 -3.96 0.00 -1.26 -4.67 105.19 100.53 2wh2 n GLY 24 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 2wh2 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 n ARG 25 N -0.24 0.65 -0.09 1.61 5.12 0.49 -3.78 116.66 120.41 2wh2 n ARG 25 Ca 0.00 -0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.75 2wh2 n ARG 25 Cb 0.00 -1.42 -0.08 0.00 -1.16 0.00 0.00 32.46 29.80 2wh2 n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wh2 n LEU 26 N -1.59 2.79 -0.03 0.55 7.94 -0.88 -4.45 117.00 121.34 2wh2 n LEU 26 Ca 0.02 -0.06 -0.09 0.00 -1.11 0.00 0.00 56.01 54.78 2wh2 n LEU 26 Cb 0.34 -0.64 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 2wh2 n LEU 26 CO 0.39 0.76 0.71 0.00 -1.11 0.00 0.00 177.39 178.15 2wh2 h ALA 27 N -0.09 -0.14 -0.73 1.96 0.00 -1.81 -0.97 119.26 117.49 2wh2 h ALA 27 Ca -0.43 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.61 2wh2 h ALA 27 Cb 1.62 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 19.78 2wh2 h ALA 27 CO -0.09 -0.66 -0.43 -2.37 0.00 0.00 0.00 179.25 175.69 2wh2 n THR 28 N -5.36 -0.49 -0.11 0.00 5.66 -1.25 -1.09 114.28 111.64 2wh2 n THR 28 Ca -0.02 2.07 -0.09 0.00 -3.05 0.00 0.00 64.05 62.97 2wh2 n THR 28 Cb 0.28 -2.59 -0.01 0.00 -1.55 0.00 0.00 70.33 66.45 2wh2 n THR 28 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2wh2 h LYS 29 N 0.00 0.46 -0.03 1.09 1.57 -1.66 -1.06 116.57 116.94 2wh2 h LYS 29 Ca 0.12 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2wh2 h LYS 29 Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wh2 h LYS 29 CO -0.68 0.32 0.21 0.82 -0.57 0.00 0.00 179.45 179.55 2wh2 h ILE 30 N 0.46 0.05 0.00 1.86 2.04 0.09 -1.05 117.51 120.97 2wh2 h ILE 30 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2wh2 h ILE 30 Cb -0.03 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wh2 h ILE 30 CO -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.09 2wh2 h ALA 31 N 1.61 0.00 -1.11 1.87 0.00 0.20 -2.81 119.26 119.01 2wh2 h ALA 31 Ca 0.01 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.22 2wh2 h ALA 31 Cb 0.43 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 2wh2 h ALA 31 CO -0.00 0.04 0.67 1.79 0.00 0.00 0.00 179.25 181.75 2wh2 h THR 32 N -0.54 0.26 -0.23 0.00 1.35 -1.04 1.71 112.91 114.42 2wh2 h THR 32 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2wh2 h THR 32 Cb 0.04 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.45 2wh2 h THR 32 CO 0.00 0.04 0.11 0.25 -0.25 0.00 0.00 175.52 175.68 2wh2 h LEU 33 N 0.24 0.29 -0.86 3.87 5.85 -1.32 -2.52 115.31 120.87 2wh2 h LEU 33 Ca 0.75 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 59.53 2wh2 h LEU 33 Cb 1.97 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.82 2wh2 h LEU 33 CO -0.50 0.32 0.40 -0.07 -0.34 0.00 0.00 178.44 178.24 2wh2 h LEU 34 N 0.24 0.42 -3.98 2.25 4.07 0.28 -0.72 115.31 117.87 2wh2 h LEU 34 Ca 0.08 0.12 -0.66 0.00 0.08 0.00 0.00 57.88 57.50 2wh2 h LEU 34 Cb 0.10 0.07 -0.30 0.00 1.08 0.00 0.00 40.66 41.61 2wh2 h LEU 34 CO -0.01 0.12 0.78 -2.11 -1.08 0.00 0.00 178.44 176.13 2wh2 n ARG 35 N -4.96 2.69 -3.38 1.13 1.85 -0.88 -3.85 116.66 109.26 2wh2 n ARG 35 Ca 0.19 -3.30 -0.01 0.00 -1.00 0.00 0.00 57.85 53.72 2wh2 n ARG 35 Cb 0.52 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 2wh2 n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wh2 n GLY 36 N -0.93 -0.03 1.23 2.89 0.00 -0.29 -4.75 105.19 103.30 2wh2 n GLY 36 Ca 0.62 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.72 2wh2 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh2 n LYS 37 N -0.92 3.00 -0.10 1.61 4.81 -0.97 -3.96 118.16 121.63 2wh2 n LYS 37 Ca -0.01 -2.06 -0.15 0.00 -0.87 0.00 0.00 58.31 55.22 2wh2 n LYS 37 Cb 0.02 -1.73 -0.09 0.00 0.02 0.00 0.00 35.03 33.25 2wh2 n LYS 37 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2wh2 n HIS 38 N 0.74 0.00 -2.63 5.64 1.44 -1.26 -4.94 115.22 114.20 2wh2 n HIS 38 Ca 0.19 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.47 2wh2 n HIS 38 Cb 0.68 -0.79 -0.02 0.00 0.12 0.00 0.00 29.99 29.98 2wh2 n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2wh2 s ARG 39 N -2.41 4.38 0.00 -1.40 1.70 -1.25 -4.91 118.95 115.05 2wh2 s ARG 39 Ca -0.28 1.45 0.00 0.00 -0.47 0.00 0.00 55.73 56.43 2wh2 s ARG 39 Cb 0.08 -3.57 0.00 0.00 -0.57 0.00 0.00 34.95 30.89 2wh2 s ARG 39 CO 0.47 -0.40 0.17 -0.35 -1.08 0.00 0.00 175.30 174.11 2wh2 n PRO 40 N 5.29 0.00 -0.18 3.89 -0.04 -1.26 -1.69 135.00 141.01 2wh2 n PRO 40 Ca 0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 2wh2 n PRO 40 Cb 0.48 -1.19 0.09 0.00 -0.04 0.00 0.00 33.50 32.84 2wh2 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wh2 n ASP 41 N -0.64 1.77 -4.64 3.54 9.92 -1.26 -4.92 116.55 120.32 2wh2 n ASP 41 Ca 0.00 -2.15 -0.55 0.00 -0.53 0.00 0.00 54.79 51.55 2wh2 n ASP 41 Cb 0.00 -0.42 -0.07 0.00 -0.64 0.00 0.00 41.12 39.99 2wh2 n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2wh2 n TRP 42 N 0.11 1.66 -3.37 1.24 -0.00 -0.68 -4.71 117.44 111.68 2wh2 n TRP 42 Ca 0.06 0.66 -0.13 0.00 -0.00 0.00 0.00 57.50 58.09 2wh2 n TRP 42 Cb 0.38 -2.36 -0.09 0.00 -0.00 0.00 0.00 31.31 29.25 2wh2 n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2wh2 s THR 43 N 1.73 -0.50 -1.13 5.87 2.01 -1.26 -4.97 115.64 117.40 2wh2 s THR 43 Ca 0.91 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2wh2 s THR 43 Cb -1.05 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 70.55 2wh2 s THR 43 CO 0.57 -0.31 0.88 -0.81 -0.69 0.00 0.00 174.62 174.25 2wh2 n PRO 44 N 5.33 0.00 0.00 4.92 -0.04 -1.26 -2.49 135.00 141.47 2wh2 n PRO 44 Ca -0.02 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 2wh2 n PRO 44 Cb 0.48 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2wh2 n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wh2 n ASN 45 N -1.38 1.13 -0.11 3.54 0.23 -1.26 -4.82 115.26 112.59 2wh2 n ASN 45 Ca 0.00 -1.07 -0.22 0.00 -0.53 0.00 0.00 54.58 52.76 2wh2 n ASN 45 Cb 0.02 0.46 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 2wh2 n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2wh2 n VAL 46 N -0.27 1.54 -0.90 3.53 3.14 -1.04 -5.06 118.33 119.27 2wh2 n VAL 46 Ca 0.04 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 2wh2 n VAL 46 Cb 0.18 -1.65 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 2wh2 n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wh2 n ALA 47 N -3.55 -0.11 -3.23 1.55 0.00 -1.26 -5.03 120.51 108.89 2wh2 n ALA 47 Ca -0.46 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.62 2wh2 n ALA 47 Cb 0.94 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 2wh2 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n MET 48 N -0.62 3.55 -4.55 0.00 0.00 -1.26 -5.01 117.12 109.22 2wh2 n MET 48 Ca 0.00 -4.60 -0.26 0.00 0.00 0.00 0.00 57.70 52.84 2wh2 n MET 48 Cb 0.25 -2.40 -0.11 0.00 0.00 0.00 0.00 33.22 30.96 2wh2 n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wh2 s GLY 49 N -1.87 2.27 0.43 3.17 0.00 -1.26 -4.05 107.32 106.02 2wh2 s GLY 49 Ca 0.34 -2.14 -0.19 0.00 0.00 0.00 0.00 44.72 42.73 2wh2 s GLY 49 CO 0.04 -2.04 0.92 0.99 0.00 0.00 0.00 173.10 173.00 2wh2 s ASP 50 N -3.64 6.86 0.33 1.64 1.01 -1.14 -4.80 116.67 116.92 2wh2 s ASP 50 Ca 0.33 1.60 -0.21 0.00 0.71 0.00 0.00 52.55 54.98 2wh2 s ASP 50 Cb 0.04 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 2wh2 s ASP 50 CO 0.17 -0.37 0.86 -0.36 0.21 0.00 0.00 175.17 175.68 2wh2 s PHE 51 N -2.22 3.52 -0.04 4.23 0.40 -1.10 -4.41 117.98 118.36 2wh2 s PHE 51 Ca 0.60 1.55 0.02 0.00 -0.60 0.00 0.00 56.93 58.50 2wh2 s PHE 51 Cb -0.09 -2.77 0.02 0.00 0.51 0.00 0.00 43.02 40.68 2wh2 s PHE 51 CO 0.17 0.13 -0.07 0.08 0.70 0.00 0.00 175.22 176.23 2wh2 s VAL 52 N -1.82 0.68 -0.25 -0.44 1.01 -0.59 -1.87 120.40 117.11 2wh2 s VAL 52 Ca 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2wh2 s VAL 52 Cb -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2wh2 s VAL 52 CO 0.19 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.79 2wh2 s VAL 53 N 0.65 2.97 -0.29 2.92 1.01 -0.86 0.47 120.40 127.26 2wh2 s VAL 53 Ca -0.10 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 2wh2 s VAL 53 Cb -0.13 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2wh2 s VAL 53 CO 0.01 0.23 0.32 -0.69 0.00 0.00 0.00 175.10 174.97 2wh2 s VAL 54 N 1.35 5.21 0.28 2.92 1.01 -0.01 -0.92 120.40 130.24 2wh2 s VAL 54 Ca 0.01 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.38 2wh2 s VAL 54 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2wh2 s VAL 54 CO -0.04 0.10 0.11 0.54 0.00 0.00 0.00 175.10 175.81 2wh2 s VAL 55 N 1.97 3.70 -0.93 2.92 0.11 -0.45 -1.20 120.40 126.52 2wh2 s VAL 55 Ca 0.12 -1.68 -0.08 0.00 -2.93 0.00 0.00 61.98 57.41 2wh2 s VAL 55 Cb -0.16 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2wh2 s VAL 55 CO 0.11 -0.32 0.72 -3.20 -3.33 0.00 0.00 175.10 169.08 2wh2 n ASN 56 N -1.06 -6.02 -3.78 3.54 4.05 -1.17 -4.37 115.26 106.45 2wh2 n ASN 56 Ca -0.06 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.27 2wh2 n ASN 56 Cb 0.59 -3.59 0.00 0.00 1.23 0.00 0.00 39.78 38.02 2wh2 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wh2 n ALA 57 N -3.00 0.00 0.00 5.20 0.00 0.14 -3.95 120.51 118.91 2wh2 n ALA 57 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wh2 n ALA 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2wh2 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh2 n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.39 116.55 116.65 2wh2 n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wh2 n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wh2 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wh2 n LYS 59 N 3.79 0.00 -1.82 0.11 4.76 -1.26 -4.66 118.16 119.08 2wh2 n LYS 59 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2wh2 n LYS 59 Cb 0.00 -2.44 -0.00 0.00 -1.84 0.00 0.00 35.03 30.75 2wh2 n LYS 59 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2wh2 s ILE 60 N -0.18 2.09 0.68 -0.18 -4.36 -1.20 -4.26 121.20 113.78 2wh2 s ILE 60 Ca 0.00 0.09 -0.03 0.00 -0.26 0.00 0.00 60.65 60.45 2wh2 s ILE 60 Cb 0.00 -3.06 0.08 0.00 1.25 0.00 0.00 42.46 40.74 2wh2 s ILE 60 CO 0.00 0.02 0.96 -0.13 0.24 0.00 0.00 174.94 176.03 2wh2 s ARG 61 N -2.09 2.04 -0.30 0.37 1.81 -0.58 -4.89 118.95 115.31 2wh2 s ARG 61 Ca 0.53 -0.67 -0.15 0.00 -1.72 0.00 0.00 55.73 53.71 2wh2 s ARG 61 Cb -0.46 -2.29 0.17 0.00 -0.45 0.00 0.00 34.95 31.92 2wh2 s ARG 61 CO 0.63 -1.23 1.03 0.54 -0.68 0.00 0.00 175.30 175.59 2wh2 s VAL 62 N -3.12 -0.43 0.00 3.52 0.11 -1.26 -2.80 120.40 116.42 2wh2 s VAL 62 Ca 0.62 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 2wh2 s VAL 62 Cb -0.09 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2wh2 s VAL 62 CO 0.43 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.55 2wh2 n THR 63 N 4.96 0.00 0.00 5.04 -2.24 -1.26 -4.75 114.28 116.02 2wh2 n THR 63 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2wh2 n THR 63 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2wh2 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wh2 n GLY 64 N 0.00 0.37 0.42 3.38 0.00 -1.26 -3.31 105.19 104.80 2wh2 n GLY 64 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2wh2 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh2 n LYS 65 N 0.00 1.55 -0.06 1.61 5.02 -1.26 -4.59 118.16 120.42 2wh2 n LYS 65 Ca 0.00 -0.83 -0.00 0.00 -2.02 0.00 0.00 58.31 55.45 2wh2 n LYS 65 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2wh2 n LYS 65 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh2 n LYS 66 N 0.11 -0.04 -0.36 1.97 4.76 -1.21 0.18 118.16 123.56 2wh2 n LYS 66 Ca 0.12 0.25 0.27 0.00 -2.87 0.00 0.00 58.31 56.08 2wh2 n LYS 66 Cb 0.23 -0.37 0.55 0.00 -1.84 0.00 0.00 35.03 33.61 2wh2 n LYS 66 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2wh2 h LEU 67 N 0.00 0.39 0.01 -0.35 4.07 -1.82 0.27 115.31 117.88 2wh2 h LEU 67 Ca 0.05 0.11 -0.39 0.00 0.08 0.00 0.00 57.88 57.74 2wh2 h LEU 67 Cb 0.09 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 2wh2 h LEU 67 CO -0.16 -0.03 -2.44 -0.62 -1.08 0.00 0.00 178.44 174.11 2wh2 n GLU 68 N -4.70 0.66 0.17 1.13 1.02 0.46 -1.60 120.64 117.78 2wh2 n GLU 68 Ca 0.30 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.52 2wh2 n GLU 68 Cb 1.07 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.92 2wh2 n GLU 68 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2wh2 h GLN 69 N 0.00 -0.48 -5.69 3.49 1.08 -0.75 -3.44 115.11 109.33 2wh2 h GLN 69 Ca -0.57 0.03 -0.78 0.00 -1.45 0.00 0.00 58.65 55.88 2wh2 h GLN 69 Cb 1.92 0.11 0.03 0.00 -0.05 0.00 0.00 27.48 29.49 2wh2 h GLN 69 CO -0.07 -0.32 0.30 1.17 -0.95 0.00 0.00 178.83 178.96 2wh2 n LYS 70 N -4.47 0.00 -4.09 1.46 3.00 0.04 -4.85 118.16 109.25 2wh2 n LYS 70 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.00 2wh2 n LYS 70 Cb 0.19 -1.42 -0.17 0.00 0.00 0.00 0.00 35.03 33.63 2wh2 n LYS 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2wh2 s ILE 71 N 1.17 0.96 0.23 3.15 1.01 -1.26 -1.12 121.20 125.34 2wh2 s ILE 71 Ca 0.92 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 2wh2 s ILE 71 Cb -1.29 -0.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 2wh2 s ILE 71 CO 0.64 0.34 0.62 -0.31 0.00 0.00 0.00 174.94 176.23 2wh2 s TYR 72 N 1.39 3.50 0.10 3.97 1.51 0.32 -4.89 117.35 123.25 2wh2 s TYR 72 Ca -0.01 1.08 0.07 0.00 -1.01 0.00 0.00 57.07 57.19 2wh2 s TYR 72 Cb -0.13 -2.41 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 2wh2 s TYR 72 CO -0.04 0.28 -0.17 0.99 -1.11 0.00 0.00 175.55 175.50 2wh2 s THR 73 N -1.71 1.46 -0.30 -0.71 2.01 -1.26 -1.02 115.64 114.10 2wh2 s THR 73 Ca 0.46 -1.51 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2wh2 s THR 73 Cb -0.13 -1.40 0.15 0.00 0.01 0.00 0.00 72.50 71.13 2wh2 s THR 73 CO 0.20 -0.18 0.36 -0.13 -0.69 0.00 0.00 174.62 174.17 2wh2 s ARG 74 N -2.01 0.42 -0.20 4.92 0.52 -1.07 -5.03 118.95 116.50 2wh2 s ARG 74 Ca 0.04 -0.16 -0.28 0.00 -0.52 0.00 0.00 55.73 54.82 2wh2 s ARG 74 Cb -0.09 -0.52 -0.00 0.00 0.52 0.00 0.00 34.95 34.86 2wh2 s ARG 74 CO 0.04 -1.06 0.98 -0.47 0.02 0.00 0.00 175.30 174.80 2wh2 s TYR 75 N 2.27 3.39 0.00 -0.53 5.04 -1.24 -4.13 117.35 122.15 2wh2 s TYR 75 Ca 0.11 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 2wh2 s TYR 75 Cb -0.13 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 38.99 2wh2 s TYR 75 CO -0.27 -0.38 0.00 -1.13 -1.34 0.00 0.00 175.55 172.43 2wh2 n SER 76 N 5.84 0.00 -0.06 4.32 3.41 -0.19 -5.01 113.62 121.92 2wh2 n SER 76 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.63 2wh2 n SER 76 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 2wh2 n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh2 n GLY 77 N 4.52 -0.51 3.71 5.00 0.00 -1.26 -5.00 105.19 111.64 2wh2 n GLY 77 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2wh2 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh2 s TYR 78 N -2.30 2.25 0.38 1.61 1.51 -1.26 -4.98 117.35 114.56 2wh2 s TYR 78 Ca -0.10 1.15 -0.27 0.00 -1.01 0.00 0.00 57.07 56.85 2wh2 s TYR 78 Cb 0.04 -3.20 -0.09 0.00 -0.11 0.00 0.00 41.96 38.60 2wh2 s TYR 78 CO 0.47 -2.56 1.28 -2.14 -1.11 0.00 0.00 175.55 171.49 2wh2 s PRO 79 N -4.96 4.11 -1.48 -1.71 0.02 -1.26 -2.82 135.00 126.90 2wh2 s PRO 79 Ca 0.64 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.72 2wh2 s PRO 79 Cb -0.18 -2.85 0.02 0.00 0.02 0.00 0.00 34.50 31.51 2wh2 s PRO 79 CO 0.57 -0.36 0.76 0.41 -0.33 0.00 0.00 177.00 178.05 2wh2 n GLY 80 N 0.72 -0.52 2.21 0.52 0.00 -1.26 -4.91 105.19 101.94 2wh2 n GLY 80 Ca 0.02 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2wh2 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 81 N -1.61 6.20 0.18 -0.02 0.00 -1.13 -4.73 105.19 104.09 2wh2 n GLY 81 Ca -0.06 -2.64 -0.11 0.00 0.00 0.00 0.00 46.02 43.21 2wh2 n GLY 81 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wh2 h LEU 82 N 2.29 0.55 -2.54 0.99 5.85 -1.86 -0.50 115.31 120.09 2wh2 h LEU 82 Ca 0.39 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2wh2 h LEU 82 Cb 1.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2wh2 h LEU 82 CO 0.92 1.10 -0.14 1.17 -0.34 0.00 0.00 178.44 181.15 2wh2 n LYS 83 N -3.86 -0.89 -4.43 1.25 4.81 -1.26 -3.18 118.16 110.61 2wh2 n LYS 83 Ca -0.05 0.92 -0.32 0.00 -0.87 0.00 0.00 58.31 58.00 2wh2 n LYS 83 Cb 0.71 -0.67 -0.10 0.00 0.02 0.00 0.00 35.03 34.98 2wh2 n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2wh2 s LYS 84 N -0.14 2.47 -0.00 1.64 -2.85 -1.26 -2.61 119.74 116.99 2wh2 s LYS 84 Ca 0.00 -0.78 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 2wh2 s LYS 84 Cb 0.00 -2.46 -0.01 0.00 -2.06 0.00 0.00 37.83 33.30 2wh2 s LYS 84 CO 0.00 0.58 -0.14 0.42 0.10 0.00 0.00 175.35 176.32 2wh2 s ILE 85 N -1.03 1.07 0.64 3.79 1.01 -0.19 -4.97 121.20 121.52 2wh2 s ILE 85 Ca 0.18 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2wh2 s ILE 85 Cb -0.11 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.47 2wh2 s ILE 85 CO 0.09 0.25 0.98 -2.16 0.00 0.00 0.00 174.94 174.09 2wh2 s PRO 86 N -0.46 2.81 0.21 2.79 0.04 -1.26 0.12 135.00 139.24 2wh2 s PRO 86 Ca 0.05 0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.11 2wh2 s PRO 86 Cb -0.06 -2.18 0.25 0.00 0.04 0.00 0.00 34.50 32.56 2wh2 s PRO 86 CO -0.00 -0.88 1.81 1.25 0.04 0.00 0.00 177.00 179.23 2wh2 h LEU 87 N -0.38 0.59 0.00 -3.56 6.46 -1.20 -3.05 115.31 114.16 2wh2 h LEU 87 Ca -0.45 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2wh2 h LEU 87 Cb 1.26 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2wh2 h LEU 87 CO 0.62 0.38 0.00 -0.62 -0.62 0.00 0.00 178.44 178.19 2wh2 n GLU 88 N -4.77 0.00 -0.26 1.25 1.02 -0.63 -1.55 120.64 115.71 2wh2 n GLU 88 Ca 0.09 0.49 0.23 0.00 -0.02 0.00 0.00 57.16 57.95 2wh2 n GLU 88 Cb 0.17 -1.14 0.40 0.00 -0.02 0.00 0.00 31.44 30.86 2wh2 n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wh2 n LYS 89 N -1.35 -0.03 0.03 3.49 4.76 -1.18 -1.49 118.16 122.39 2wh2 n LYS 89 Ca 0.00 0.81 -0.01 0.00 -2.87 0.00 0.00 58.31 56.24 2wh2 n LYS 89 Cb 0.00 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.64 2wh2 n LYS 89 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2wh2 h MET 90 N 0.00 -0.07 -0.96 1.97 2.86 -1.18 -2.51 114.93 115.03 2wh2 h MET 90 Ca 0.54 0.01 0.30 0.00 -2.06 0.00 0.00 59.70 58.48 2wh2 h MET 90 Cb 1.63 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 33.16 2wh2 h MET 90 CO -0.36 -0.05 0.40 -0.07 1.06 0.00 0.00 176.91 177.90 2wh2 h LEU 91 N -0.11 0.23 -0.08 1.22 3.38 -0.83 1.92 115.31 121.05 2wh2 h LEU 91 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wh2 h LEU 91 Cb 0.06 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wh2 h LEU 91 CO 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.35 2wh2 n ALA 92 N -2.50 2.32 0.00 1.53 0.00 -0.69 -3.41 120.51 117.76 2wh2 n ALA 92 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wh2 n ALA 92 Cb 0.90 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2wh2 n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wh2 n THR 93 N -0.46 0.00 -2.88 0.00 5.66 0.60 -4.97 114.28 112.23 2wh2 n THR 93 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2wh2 n THR 93 Cb 0.02 -0.25 0.03 0.00 -1.55 0.00 0.00 70.33 68.57 2wh2 n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2wh2 n HIS 94 N -2.22 -0.25 -0.30 1.09 8.25 0.20 -4.98 115.22 117.01 2wh2 n HIS 94 Ca 0.00 -2.99 0.34 0.00 -0.26 0.00 0.00 57.72 54.81 2wh2 n HIS 94 Cb 0.00 0.14 0.65 0.00 1.12 0.00 0.00 29.99 31.89 2wh2 n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wh2 h PRO 95 N 2.88 0.00 -0.12 -0.41 0.13 -1.48 0.74 132.00 133.73 2wh2 h PRO 95 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2wh2 h PRO 95 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2wh2 h PRO 95 CO 0.38 0.00 0.04 1.05 -0.23 0.00 0.00 178.00 179.24 2wh2 h GLU 96 N 0.00 0.18 -1.00 0.86 9.09 -1.90 -2.77 114.58 119.04 2wh2 h GLU 96 Ca 0.56 -0.04 0.27 0.00 0.05 0.00 0.00 59.36 60.20 2wh2 h GLU 96 Cb 2.67 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 29.68 2wh2 h GLU 96 CO -0.01 0.31 0.69 0.00 0.05 0.00 0.00 179.01 180.06 2wh2 h ARG 97 N 0.01 0.13 0.06 1.06 3.08 -1.24 0.24 114.38 117.72 2wh2 h ARG 97 Ca 0.04 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2wh2 h ARG 97 Cb 0.21 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2wh2 h ARG 97 CO -0.00 0.09 -0.19 0.28 -1.07 0.00 0.00 179.97 179.07 2wh2 h VAL 98 N 0.13 0.55 0.02 2.04 2.07 -1.58 0.72 116.25 120.20 2wh2 h VAL 98 Ca 0.50 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.78 2wh2 h VAL 98 Cb 1.73 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2wh2 h VAL 98 CO -0.09 0.00 -0.95 0.25 0.02 0.00 0.00 177.57 176.81 2wh2 h LEU 99 N -0.35 0.80 -0.07 2.57 7.12 -1.34 -2.55 115.31 121.50 2wh2 h LEU 99 Ca 0.04 -0.76 0.01 0.00 0.13 0.00 0.00 57.88 57.30 2wh2 h LEU 99 Cb 0.39 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 2wh2 h LEU 99 CO -0.14 1.46 -0.11 -0.33 -0.13 0.00 0.00 178.44 179.20 2wh2 h GLU 100 N 0.23 -0.08 -0.53 1.25 5.08 -0.24 -1.06 114.58 119.24 2wh2 h GLU 100 Ca -0.12 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2wh2 h GLU 100 Cb 1.62 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.79 2wh2 h GLU 100 CO 0.19 -0.05 -0.13 1.25 -1.00 0.00 0.00 179.01 179.26 2wh2 h HIS 101 N -0.08 -0.27 -0.64 4.33 2.76 0.35 -1.74 115.15 119.85 2wh2 h HIS 101 Ca 0.01 0.05 0.13 0.00 -2.20 0.00 0.00 60.37 58.36 2wh2 h HIS 101 Cb 0.12 0.20 -0.12 0.00 1.55 0.00 0.00 27.41 29.17 2wh2 h HIS 101 CO -0.60 -0.23 -0.08 0.00 -1.30 0.00 0.00 177.93 175.73 2wh2 h ALA 102 N 1.53 0.53 0.06 5.26 0.00 -0.91 -1.56 119.26 124.17 2wh2 h ALA 102 Ca 0.26 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2wh2 h ALA 102 Cb 0.39 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wh2 h ALA 102 CO -0.54 -0.42 -0.03 0.28 0.00 0.00 0.00 179.25 178.54 2wh2 h VAL 103 N 0.05 1.24 -0.98 0.00 2.07 -0.69 -3.25 116.25 114.69 2wh2 h VAL 103 Ca 0.32 -1.17 0.31 0.00 0.82 0.00 0.00 66.70 66.98 2wh2 h VAL 103 Cb 0.52 1.99 -0.18 0.00 -1.52 0.00 0.00 31.29 32.10 2wh2 h VAL 103 CO -0.60 0.28 0.18 0.50 0.02 0.00 0.00 177.57 177.95 2wh2 h LYS 104 N -0.62 0.03 0.00 1.57 3.64 -0.69 1.47 116.57 121.97 2wh2 h LYS 104 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wh2 h LYS 104 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2wh2 h LYS 104 CO 0.01 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 177.62 2wh2 n GLY 105 N -1.43 -0.93 0.80 5.01 0.00 -0.65 -1.90 105.19 106.10 2wh2 n GLY 105 Ca 0.27 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.42 2wh2 n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wh2 n MET 106 N -1.84 1.83 -3.76 1.61 2.81 0.50 -4.94 117.12 113.32 2wh2 n MET 106 Ca 0.01 -1.78 -0.37 0.00 -1.81 0.00 0.00 57.70 53.76 2wh2 n MET 106 Cb 0.12 -1.37 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 2wh2 n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wh2 s LEU 107 N -1.39 4.38 0.73 4.03 1.43 -0.80 -4.97 118.68 122.10 2wh2 s LEU 107 Ca 0.25 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.73 2wh2 s LEU 107 Cb 0.16 -2.20 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 2wh2 s LEU 107 CO 0.23 0.35 -0.12 -2.65 0.23 0.00 0.00 176.35 174.39 2wh2 n PRO 108 N 2.22 0.07 0.11 1.29 -0.02 -1.26 -4.93 135.00 132.49 2wh2 n PRO 108 Ca -0.18 0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.35 2wh2 n PRO 108 Cb 0.54 -1.27 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 2wh2 n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wh2 h LYS 109 N -0.47 0.00 0.00 -0.52 1.79 -1.95 -3.36 116.57 112.06 2wh2 h LYS 109 Ca -0.43 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.88 2wh2 h LYS 109 Cb 1.37 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 32.10 2wh2 h LYS 109 CO 0.36 0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.67 2wh2 n GLY 110 N 1.27 -3.04 0.31 3.86 0.00 -1.26 -4.66 105.19 101.66 2wh2 n GLY 110 Ca 0.00 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.78 2wh2 n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh2 h PRO 111 N 0.00 0.00 0.00 1.61 0.11 -1.99 -1.42 132.00 130.31 2wh2 h PRO 111 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 2wh2 h PRO 111 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2wh2 h PRO 111 CO 0.11 0.00 -0.20 1.25 -0.21 0.00 0.00 178.00 178.95 2wh2 h LEU 112 N 0.00 0.17 -0.98 2.35 5.85 -1.92 -1.55 115.31 119.22 2wh2 h LEU 112 Ca 0.04 -0.78 0.19 0.00 0.84 0.00 0.00 57.88 58.16 2wh2 h LEU 112 Cb 0.21 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 2wh2 h LEU 112 CO -0.00 0.94 0.58 1.23 -0.34 0.00 0.00 178.44 180.85 2wh2 h GLY 113 N -0.57 1.74 1.45 3.75 0.00 -1.43 0.69 103.07 108.71 2wh2 h GLY 113 Ca -0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 2wh2 h GLY 113 CO 0.04 -0.07 -0.70 3.21 0.00 0.00 0.00 176.54 179.02 2wh2 h ARG 114 N 0.73 0.55 0.00 4.80 3.08 -1.37 -2.59 114.38 119.59 2wh2 h ARG 114 Ca 0.57 -0.42 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2wh2 h ARG 114 Cb 0.88 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2wh2 h ARG 114 CO -0.39 1.04 -0.25 -0.09 -1.07 0.00 0.00 179.97 179.22 2wh2 h ARG 115 N 0.39 0.00 -0.09 0.04 2.43 0.07 -2.76 114.38 114.46 2wh2 h ARG 115 Ca -0.03 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 2wh2 h ARG 115 Cb 1.28 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2wh2 h ARG 115 CO 0.13 0.25 -0.74 -0.07 -1.51 0.00 0.00 179.97 178.03 2wh2 h LEU 116 N 0.00 0.80 -2.10 3.80 3.38 -0.70 -3.15 115.31 117.33 2wh2 h LEU 116 Ca -0.00 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.34 2wh2 h LEU 116 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wh2 h LEU 116 CO 0.03 1.35 0.32 0.15 0.09 0.00 0.00 178.44 180.39 2wh2 h PHE 117 N 0.31 0.00 0.00 1.13 3.57 -1.16 0.41 116.94 121.20 2wh2 h PHE 117 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2wh2 h PHE 117 Cb 1.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2wh2 h PHE 117 CO 0.11 0.00 -0.19 0.87 -2.23 0.00 0.00 178.31 176.87 2wh2 h LYS 118 N 0.00 0.00 -0.32 1.11 1.57 -1.58 -3.14 116.57 114.21 2wh2 h LYS 118 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2wh2 h LYS 118 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2wh2 h LYS 118 CO -0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 2wh2 n ARG 119 N -2.73 1.45 -4.03 3.15 5.12 0.14 -4.71 116.66 115.05 2wh2 n ARG 119 Ca 0.04 -0.57 -0.31 0.00 -1.93 0.00 0.00 57.85 55.09 2wh2 n ARG 119 Cb 0.50 -1.23 -0.16 0.00 -1.16 0.00 0.00 32.46 30.40 2wh2 n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wh2 s LEU 120 N -0.91 1.78 -0.24 0.55 1.98 -1.19 -1.55 118.68 119.11 2wh2 s LEU 120 Ca 0.10 -0.53 -0.04 0.00 -2.89 0.00 0.00 54.13 50.78 2wh2 s LEU 120 Cb 0.06 -1.23 0.00 0.00 0.66 0.00 0.00 46.19 45.68 2wh2 s LEU 120 CO 0.06 -0.05 -0.03 -0.54 -1.89 0.00 0.00 176.35 173.91 2wh2 s LYS 121 N 1.45 3.20 -0.18 1.98 -0.14 0.18 -4.95 119.74 121.27 2wh2 s LYS 121 Ca 0.05 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.89 2wh2 s LYS 121 Cb -0.13 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2wh2 s LYS 121 CO -0.11 -0.29 -0.08 0.08 -0.76 0.00 0.00 175.35 174.19 2wh2 s VAL 122 N 1.45 3.21 0.07 3.17 1.01 -1.26 -0.83 120.40 127.22 2wh2 s VAL 122 Ca 0.04 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2wh2 s VAL 122 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2wh2 s VAL 122 CO -0.03 0.47 -0.19 -0.31 0.00 0.00 0.00 175.10 175.05 2wh2 s TYR 123 N 0.99 1.62 0.33 5.22 1.51 -0.34 -4.98 117.35 121.70 2wh2 s TYR 123 Ca -0.01 -0.40 0.19 0.00 -1.01 0.00 0.00 57.07 55.84 2wh2 s TYR 123 Cb -0.15 -0.92 0.93 0.00 -0.11 0.00 0.00 41.96 41.71 2wh2 s TYR 123 CO -0.01 0.13 1.88 0.00 -1.11 0.00 0.00 175.55 176.44 2wh2 h ALA 124 N 4.47 1.26 0.00 3.71 0.00 -1.90 -0.79 119.26 126.00 2wh2 h ALA 124 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2wh2 h ALA 124 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wh2 h ALA 124 CO 0.41 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2wh2 n GLY 125 N -0.36 0.05 3.42 0.00 0.00 -1.26 -0.68 105.19 106.36 2wh2 n GLY 125 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2wh2 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wh2 n PRO 126 N 0.24 -2.33 0.00 1.61 -0.04 -1.26 -4.44 135.00 128.78 2wh2 n PRO 126 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2wh2 n PRO 126 Cb 0.00 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2wh2 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wh2 n ASP 127 N -4.22 -0.72 -3.96 3.54 9.92 -1.26 -4.77 116.55 115.08 2wh2 n ASP 127 Ca 0.02 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 2wh2 n ASP 127 Cb 0.56 0.42 -0.16 0.00 -0.64 0.00 0.00 41.12 41.30 2wh2 n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wh2 s HIS 128 N -0.70 2.02 0.00 1.24 -3.43 -1.26 -4.81 115.29 108.35 2wh2 s HIS 128 Ca 0.00 -1.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.01 2wh2 s HIS 128 Cb 0.00 -1.48 0.00 0.00 -1.43 0.00 0.00 32.58 29.67 2wh2 s HIS 128 CO 0.00 -0.66 0.00 -0.35 -2.00 0.00 0.00 174.74 171.73 2wh2 n PRO 129 N 4.79 0.00 -3.55 -0.38 -0.04 -1.26 -4.46 135.00 130.10 2wh2 n PRO 129 Ca -0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2wh2 n PRO 129 Cb 0.48 -0.82 -0.05 0.00 -0.04 0.00 0.00 33.50 33.07 2wh2 n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2wh2 s HIS 130 N 0.40 -0.77 -0.35 0.54 -3.43 -1.26 -5.13 115.29 105.29 2wh2 s HIS 130 Ca 0.00 1.42 -0.02 0.00 -0.80 0.00 0.00 55.06 55.66 2wh2 s HIS 130 Cb 0.00 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.69 2wh2 s HIS 130 CO 0.00 -0.38 0.09 -1.14 -2.00 0.00 0.00 174.74 171.31 2wh2 s GLN 131 N 2.03 2.23 -0.42 -0.38 2.00 -1.26 -4.90 119.66 118.94 2wh2 s GLN 131 Ca -0.06 -1.51 0.08 0.00 -2.00 0.00 0.00 55.36 51.87 2wh2 s GLN 131 Cb -0.06 -3.36 0.34 0.00 0.80 0.00 0.00 33.01 30.73 2wh2 s GLN 131 CO -0.17 -0.82 1.00 0.00 -0.50 0.00 0.00 175.29 174.80 2wh2 n ALA 132 N 4.61 0.30 -0.19 1.58 0.00 -1.26 -5.12 120.51 120.43 2wh2 n ALA 132 Ca -0.08 -2.12 0.03 0.00 0.00 0.00 0.00 53.44 51.26 2wh2 n ALA 132 Cb 0.43 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 2wh2 n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wh2 n GLN 133 N 0.28 -0.38 0.00 0.00 7.27 -1.26 -4.83 117.38 118.47 2wh2 n GLN 133 Ca 0.12 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2wh2 n GLN 133 Cb 0.70 -0.46 0.00 0.00 2.41 0.00 0.00 30.24 32.88 2wh2 n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wh2 n ARG 134 N -1.42 0.00 -1.46 3.69 1.85 -1.26 -4.91 116.66 113.14 2wh2 n ARG 134 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.39 2wh2 n ARG 134 Cb 0.09 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.41 2wh2 n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wh2 n PRO 135 N 0.00 0.77 -1.79 2.89 -0.02 -1.23 -3.96 135.00 131.66 2wh2 n PRO 135 Ca 0.00 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 2wh2 n PRO 135 Cb 0.00 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.07 2wh2 n PRO 135 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wh2 s GLU 136 N 7.20 4.13 0.27 -0.52 2.12 -1.26 -2.40 118.70 128.25 2wh2 s GLU 136 Ca 1.14 2.56 0.09 0.00 0.36 0.00 0.00 54.97 59.12 2wh2 s GLU 136 Cb -0.85 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2wh2 s GLU 136 CO 0.46 -0.65 -0.13 0.21 -0.54 0.00 0.00 175.26 174.61 2wh2 s LYS 137 N -0.05 1.59 -0.61 4.30 2.20 0.17 -4.86 119.74 122.48 2wh2 s LYS 137 Ca 0.66 -1.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.54 2wh2 s LYS 137 Cb -0.48 -1.43 0.15 0.00 -1.51 0.00 0.00 37.83 34.56 2wh2 s LYS 137 CO 0.43 0.18 0.38 -0.51 -0.36 0.00 0.00 175.35 175.47 2wh2 s LEU 138 N -3.46 4.60 0.00 5.43 1.43 -1.26 -4.53 118.68 120.89 2wh2 s LEU 138 Ca 0.28 -3.36 0.00 0.00 -1.03 0.00 0.00 54.13 50.03 2wh2 s LEU 138 Cb -0.00 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2wh2 s LEU 138 CO 0.12 -0.18 0.00 1.21 0.23 0.00 0.00 176.35 177.74