#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s LYS 2 N 0.00 3.16 0.27 2.12 -0.14 -1.26 -5.04 119.74 118.86 2wwq s LYS 2 Ca 0.00 2.00 0.07 0.00 -1.36 0.00 0.00 55.97 56.68 2wwq s LYS 2 Cb 0.00 -2.15 -0.06 0.00 -1.68 0.00 0.00 37.83 33.95 2wwq s LYS 2 CO 0.00 -1.10 -0.08 0.95 -0.76 0.00 0.00 175.35 174.36 2wwq s THR 3 N -1.45 1.70 0.59 2.17 -4.23 -1.26 -5.13 115.64 108.04 2wwq s THR 3 Ca 0.73 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.89 2wwq s THR 3 Cb -0.35 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2wwq s THR 3 CO 0.40 -0.34 1.20 0.33 -0.54 0.00 0.00 174.62 175.67 2wwq n PHE 4 N -0.56 1.68 -4.28 3.99 -0.00 -1.26 -5.06 117.46 111.96 2wwq n PHE 4 Ca -0.06 0.43 -0.15 0.00 -0.00 0.00 0.00 57.45 57.67 2wwq n PHE 4 Cb 0.63 -2.26 -0.10 0.00 -0.00 0.00 0.00 39.48 37.75 2wwq n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2wwq s THR 5 N -1.39 1.20 0.53 -2.13 -1.32 -1.26 -4.88 115.64 106.39 2wwq s THR 5 Ca 0.77 -2.07 -0.08 0.00 -1.21 0.00 0.00 61.69 59.09 2wwq s THR 5 Cb -0.41 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 2wwq s THR 5 CO 0.46 -0.62 0.88 0.00 -2.21 0.00 0.00 174.62 173.13 2wwq s ALA 6 N -3.31 3.27 0.14 11.08 0.00 -1.26 -4.88 121.76 126.80 2wwq s ALA 6 Ca 0.20 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2wwq s ALA 6 Cb 0.03 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.40 2wwq s ALA 6 CO 0.03 -0.44 0.52 0.15 0.00 0.00 0.00 175.76 176.02 2wwq s LYS 7 N -4.79 1.18 0.00 0.00 1.02 -1.26 -5.02 119.74 110.88 2wwq s LYS 7 Ca 0.51 -0.55 0.24 0.00 0.02 0.00 0.00 55.97 56.19 2wwq s LYS 7 Cb -0.11 0.54 0.32 0.00 -0.52 0.00 0.00 37.83 38.06 2wwq s LYS 7 CO 0.46 -0.49 1.33 -0.35 -0.92 0.00 0.00 175.35 175.38 2wwq n PRO 8 N -0.28 2.25 0.00 -1.68 -0.04 -1.26 -1.56 135.00 132.44 2wwq n PRO 8 Ca -0.17 -1.83 0.10 0.00 -0.04 0.00 0.00 63.50 61.56 2wwq n PRO 8 Cb 0.64 -1.47 0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2wwq n PRO 8 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wwq n GLU 9 N 1.20 1.69 0.00 0.54 0.28 -1.26 -4.28 120.64 118.81 2wwq n GLU 9 Ca 0.15 -1.46 0.01 0.00 -0.16 0.00 0.00 57.16 55.70 2wwq n GLU 9 Cb 0.57 -1.38 0.01 0.00 1.43 0.00 0.00 31.44 32.07 2wwq n GLU 9 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wwq n THR 10 N 0.77 0.00 -3.99 3.84 -2.24 -0.60 -4.81 114.28 107.26 2wwq n THR 10 Ca 0.11 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 2wwq n THR 10 Cb 0.47 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.60 2wwq n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wwq s VAL 11 N -0.24 2.74 -0.49 2.28 1.01 -0.91 -4.87 120.40 119.92 2wwq s VAL 11 Ca 0.03 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 2wwq s VAL 11 Cb 0.02 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.06 2wwq s VAL 11 CO 0.03 0.24 1.11 -0.75 0.00 0.00 0.00 175.10 175.73 2wwq s LYS 12 N 1.31 3.66 0.38 2.72 2.20 -1.26 -4.81 119.74 123.93 2wwq s LYS 12 Ca 0.00 0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 55.79 2wwq s LYS 12 Cb -0.16 -3.93 -0.09 0.00 -1.51 0.00 0.00 37.83 32.14 2wwq s LYS 12 CO -0.06 -1.40 1.23 1.03 -0.36 0.00 0.00 175.35 175.79 2wwq s ARG 13 N 4.41 4.12 0.07 4.03 1.81 -1.26 -5.03 118.95 127.10 2wwq s ARG 13 Ca 0.45 2.00 0.03 0.00 -1.72 0.00 0.00 55.73 56.49 2wwq s ARG 13 Cb -0.08 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.58 2wwq s ARG 13 CO 0.30 -0.31 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.01 2wwq s ASP 14 N -0.88 1.20 -0.13 0.23 -0.00 -1.26 -4.98 116.67 110.85 2wwq s ASP 14 Ca 0.55 -0.69 0.00 0.00 -0.00 0.00 0.00 52.55 52.41 2wwq s ASP 14 Cb -0.35 0.02 -0.01 0.00 -0.00 0.00 0.00 42.92 42.58 2wwq s ASP 14 CO 0.44 -0.23 -0.14 0.26 -0.00 0.00 0.00 175.17 175.50 2wwq s TRP 15 N -1.91 2.78 0.17 4.23 0.52 -1.26 -0.44 118.94 123.04 2wwq s TRP 15 Ca -0.02 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 55.41 2wwq s TRP 15 Cb -0.06 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.38 2wwq s TRP 15 CO 0.00 -0.25 -0.00 0.71 0.02 0.00 0.00 176.95 177.43 2wwq s TYR 16 N 0.37 1.20 -0.07 -1.98 1.51 -1.00 -2.68 117.35 114.71 2wwq s TYR 16 Ca -0.12 -1.01 -0.03 0.00 -1.01 0.00 0.00 57.07 54.90 2wwq s TYR 16 Cb -0.16 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.04 2wwq s TYR 16 CO 0.06 -0.21 0.14 0.54 -1.11 0.00 0.00 175.55 174.97 2wwq s VAL 17 N -3.65 -0.08 0.06 0.71 0.11 -1.25 -2.29 120.40 114.00 2wwq s VAL 17 Ca 0.23 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.57 2wwq s VAL 17 Cb 0.06 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 2wwq s VAL 17 CO 0.04 0.09 -0.20 0.54 -3.33 0.00 0.00 175.10 172.23 2wwq s VAL 18 N 1.34 1.63 1.27 2.04 0.11 0.84 -2.06 120.40 125.56 2wwq s VAL 18 Ca -0.07 -1.27 -0.21 0.00 -2.93 0.00 0.00 61.98 57.50 2wwq s VAL 18 Cb -0.12 -1.43 0.33 0.00 -1.53 0.00 0.00 36.38 33.62 2wwq s VAL 18 CO -0.06 0.12 0.73 -0.67 -3.33 0.00 0.00 175.10 171.90 2wwq n ASP 19 N 1.66 -3.87 0.00 3.54 -0.08 -1.18 -3.08 116.55 113.54 2wwq n ASP 19 Ca -0.18 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 2wwq n ASP 19 Cb 0.53 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.14 2wwq n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wwq n ALA 20 N -5.41 0.00 0.03 -1.67 0.00 -1.26 -4.08 120.51 108.12 2wwq n ALA 20 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 2wwq n ALA 20 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 2wwq n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wwq h THR 21 N 0.00 1.24 0.00 0.00 2.02 -1.93 -3.29 112.91 110.95 2wwq h THR 21 Ca 0.00 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2wwq h THR 21 Cb 0.00 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2wwq h THR 21 CO 0.00 0.71 -0.43 0.61 0.37 0.00 0.00 175.52 176.79 2wwq n GLY 22 N 1.71 -1.41 3.91 2.16 0.00 -1.26 -4.65 105.19 105.64 2wwq n GLY 22 Ca -0.20 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2wwq n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 23 N -3.09 3.45 -0.01 1.61 -0.14 -1.24 -4.98 119.74 115.35 2wwq s LYS 23 Ca 0.09 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2wwq s LYS 23 Cb 0.15 -2.35 0.01 0.00 -1.68 0.00 0.00 37.83 33.96 2wwq s LYS 23 CO 0.67 -0.29 -0.01 0.99 -0.76 0.00 0.00 175.35 175.96 2wwq s THR 24 N -2.79 0.09 0.15 2.17 2.01 -1.26 -2.96 115.64 113.05 2wwq s THR 24 Ca 0.49 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 62.14 2wwq s THR 24 Cb -0.10 -0.11 -0.14 0.00 0.01 0.00 0.00 72.50 72.15 2wwq s THR 24 CO 0.45 0.05 1.54 -0.11 -0.69 0.00 0.00 174.62 175.86 2wwq n LEU 25 N 3.35 2.87 0.00 4.42 7.94 -1.09 -1.33 117.00 133.15 2wwq n LEU 25 Ca -0.16 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 2wwq n LEU 25 Cb 0.57 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2wwq n LEU 25 CO 0.25 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 2wwq n GLY 26 N 3.26 1.86 0.04 -3.96 0.00 -1.26 -4.50 105.19 100.63 2wwq n GLY 26 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2wwq n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq n ARG 27 N -2.00 -0.71 -0.11 1.61 1.74 -1.01 -3.34 116.66 112.83 2wwq n ARG 27 Ca 0.00 -0.56 -0.17 0.00 -0.77 0.00 0.00 57.85 56.35 2wwq n ARG 27 Cb 0.00 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 2wwq n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wwq n LEU 28 N 0.04 2.73 -0.02 0.55 7.94 -0.44 -4.47 117.00 123.33 2wwq n LEU 28 Ca 0.01 -0.04 -0.04 0.00 -1.11 0.00 0.00 56.01 54.83 2wwq n LEU 28 Cb 0.03 -0.76 0.20 0.00 0.53 0.00 0.00 43.42 43.42 2wwq n LEU 28 CO 0.01 0.80 0.79 0.00 -1.11 0.00 0.00 177.39 177.87 2wwq h ALA 29 N -0.16 1.12 0.00 1.96 0.00 -1.83 -1.51 119.26 118.83 2wwq h ALA 29 Ca -0.51 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2wwq h ALA 29 Cb 1.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2wwq h ALA 29 CO -0.13 0.55 0.00 0.25 0.00 0.00 0.00 179.25 179.92 2wwq n THR 30 N -4.16 0.64 -0.08 0.00 -2.24 -1.21 -0.67 114.28 106.55 2wwq n THR 30 Ca 0.00 0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.87 2wwq n THR 30 Cb 0.37 -0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 2wwq n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wwq n GLU 31 N -1.27 1.39 0.16 -0.78 1.02 -0.62 -3.32 120.64 117.22 2wwq n GLU 31 Ca 0.06 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2wwq n GLU 31 Cb 0.09 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 2wwq n GLU 31 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wwq h LEU 32 N 0.00 -0.41 -1.75 -4.62 3.38 -0.87 -3.04 115.31 108.01 2wwq h LEU 32 Ca -0.42 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.65 2wwq h LEU 32 Cb 1.95 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.77 2wwq h LEU 32 CO 0.02 0.04 0.44 0.00 0.09 0.00 0.00 178.44 179.03 2wwq h ALA 33 N -1.00 2.25 -0.31 1.53 0.00 -1.09 -0.71 119.26 119.92 2wwq h ALA 33 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2wwq h ALA 33 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wwq h ALA 33 CO 0.08 -0.42 0.01 -0.09 0.00 0.00 0.00 179.25 178.83 2wwq h ARG 34 N 0.26 0.54 0.05 0.00 9.65 -1.62 -0.56 114.38 122.70 2wwq h ARG 34 Ca 0.31 -0.17 -0.15 0.00 -1.10 0.00 0.00 59.98 58.87 2wwq h ARG 34 Cb 0.87 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.41 2wwq h ARG 34 CO -0.07 0.67 -0.63 0.00 2.80 0.00 0.00 179.97 182.74 2wwq h ARG 35 N 0.34 0.34 -0.93 0.20 -0.00 -1.34 -2.84 114.38 110.16 2wwq h ARG 35 Ca 0.09 -0.43 0.19 0.00 -0.50 0.00 0.00 59.98 59.32 2wwq h ARG 35 Cb 0.42 0.14 -0.08 0.00 0.00 0.00 0.00 29.97 30.45 2wwq h ARG 35 CO 0.01 1.13 0.60 -0.07 0.00 0.00 0.00 179.97 181.65 2wwq h LEU 36 N -0.25 0.55 0.00 3.04 4.07 -0.99 -2.10 115.31 119.63 2wwq h LEU 36 Ca -0.09 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2wwq h LEU 36 Cb 1.39 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2wwq h LEU 36 CO 0.12 0.22 -0.69 -0.09 -1.08 0.00 0.00 178.44 176.92 2wwq h ARG 37 N 0.55 0.00 0.00 1.13 9.65 -1.08 -3.27 114.38 121.36 2wwq h ARG 37 Ca 0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 2wwq h ARG 37 Cb 1.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2wwq h ARG 37 CO -0.23 0.00 0.00 0.41 2.80 0.00 0.00 179.97 182.95 2wwq n GLY 38 N 1.27 0.63 1.62 2.80 0.00 -0.79 -4.24 105.19 106.48 2wwq n GLY 38 Ca 0.02 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.36 2wwq n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwq n LYS 39 N -2.02 3.98 -0.27 1.61 5.02 -1.09 -3.45 118.16 121.94 2wwq n LYS 39 Ca 0.00 -2.77 0.11 0.00 -2.02 0.00 0.00 58.31 53.64 2wwq n LYS 39 Cb 0.16 -2.00 0.26 0.00 -0.02 0.00 0.00 35.03 33.43 2wwq n LYS 39 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2wwq n HIS 40 N 0.87 0.71 -3.87 2.13 1.44 -1.25 -4.98 115.22 110.27 2wwq n HIS 40 Ca 0.25 -0.37 -0.08 0.00 -2.01 0.00 0.00 57.72 55.51 2wwq n HIS 40 Cb 0.96 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.03 2wwq n HIS 40 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2wwq s LYS 41 N -1.24 1.67 0.05 -1.40 -2.85 -1.22 -5.10 119.74 109.66 2wwq s LYS 41 Ca 0.42 -1.03 -0.31 0.00 -1.00 0.00 0.00 55.97 54.06 2wwq s LYS 41 Cb 0.23 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.49 2wwq s LYS 41 CO 0.32 -0.74 1.64 0.00 0.10 0.00 0.00 175.35 176.66 2wwq s ALA 42 N -3.94 3.67 0.00 0.59 0.00 -1.26 -4.97 121.76 115.85 2wwq s ALA 42 Ca 0.14 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2wwq s ALA 42 Cb -0.04 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2wwq s ALA 42 CO 0.06 -1.12 0.00 -0.85 0.00 0.00 0.00 175.76 173.85 2wwq n GLU 43 N 5.73 0.00 0.00 0.00 0.28 -1.26 -5.06 120.64 120.33 2wwq n GLU 43 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2wwq n GLU 43 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 2wwq n GLU 43 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2wwq n TYR 44 N 0.00 0.00 -3.54 -1.84 9.36 -1.26 -5.05 117.16 114.83 2wwq n TYR 44 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 2wwq n TYR 44 Cb 0.00 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 2wwq n TYR 44 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2wwq s THR 45 N 0.04 0.01 -0.44 2.97 -1.32 -1.26 -5.06 115.64 110.59 2wwq s THR 45 Ca 0.00 -0.11 -0.36 0.00 -1.21 0.00 0.00 61.69 60.02 2wwq s THR 45 Cb 0.00 -0.96 -0.13 0.00 -1.51 0.00 0.00 72.50 69.89 2wwq s THR 45 CO 0.00 -0.06 2.24 -0.81 -2.21 0.00 0.00 174.62 173.78 2wwq n PRO 46 N 0.60 0.81 0.00 7.08 -0.04 -1.26 -4.26 135.00 137.93 2wwq n PRO 46 Ca -0.19 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2wwq n PRO 46 Cb 0.59 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2wwq n PRO 46 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wwq n HIS 47 N 9.94 0.00 -3.96 0.54 1.44 -1.26 -5.09 115.22 116.83 2wwq n HIS 47 Ca 0.45 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 56.06 2wwq n HIS 47 Cb 0.19 0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.28 2wwq n HIS 47 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2wwq n VAL 48 N 0.00 0.00 -1.68 0.61 0.24 -1.26 -5.14 118.33 111.09 2wwq n VAL 48 Ca 0.00 -1.30 -0.45 0.00 -2.04 0.00 0.00 64.34 60.56 2wwq n VAL 48 Cb 0.04 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 2wwq n VAL 48 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wwq n ASP 49 N -1.86 3.25 -1.02 -1.34 2.03 -1.26 -4.92 116.55 111.42 2wwq n ASP 49 Ca 0.01 1.09 -0.02 0.00 0.52 0.00 0.00 54.79 56.40 2wwq n ASP 49 Cb 0.40 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 2wwq n ASP 49 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wwq n THR 50 N 3.14 0.00 0.00 5.18 -2.24 -1.26 -4.92 114.28 114.18 2wwq n THR 50 Ca 0.15 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2wwq n THR 50 Cb 0.31 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2wwq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwq n GLY 51 N 0.15 0.32 0.40 3.38 0.00 -1.23 -3.46 105.19 104.75 2wwq n GLY 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wwq n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wwq n ASP 52 N -0.06 -1.27 -4.63 1.61 9.92 -1.26 -4.07 116.55 116.79 2wwq n ASP 52 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 2wwq n ASP 52 Cb 0.00 -0.64 0.05 0.00 -0.64 0.00 0.00 41.12 39.89 2wwq n ASP 52 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2wwq n TYR 53 N 1.09 1.03 -3.61 1.24 4.01 0.42 -4.76 117.16 116.59 2wwq n TYR 53 Ca 0.00 0.45 -0.11 0.00 -0.16 0.00 0.00 57.90 58.08 2wwq n TYR 53 Cb 0.00 -2.18 -0.06 0.00 -0.31 0.00 0.00 39.34 36.79 2wwq n TYR 53 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2wwq s ILE 54 N -1.46 0.00 -0.04 -0.72 2.07 -1.12 -2.39 121.20 117.54 2wwq s ILE 54 Ca 0.73 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.96 2wwq s ILE 54 Cb -0.44 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.18 2wwq s ILE 54 CO 0.49 0.00 0.02 -0.63 -1.91 0.00 0.00 174.94 172.91 2wwq s ILE 55 N -0.26 0.12 0.82 2.00 1.01 -0.97 -2.43 121.20 121.48 2wwq s ILE 55 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2wwq s ILE 55 Cb -0.03 -0.29 0.08 0.00 0.01 0.00 0.00 42.46 42.23 2wwq s ILE 55 CO -0.02 0.19 1.09 0.68 0.00 0.00 0.00 174.94 176.88 2wwq s VAL 56 N 1.70 3.01 0.00 2.92 -7.23 -1.22 -0.11 120.40 119.46 2wwq s VAL 56 Ca -0.00 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2wwq s VAL 56 Cb -0.13 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2wwq s VAL 56 CO -0.03 -0.43 0.00 0.18 -0.31 0.00 0.00 175.10 174.51 2wwq n LEU 57 N -3.54 0.00 0.00 1.32 4.77 -1.18 -4.64 117.00 113.73 2wwq n LEU 57 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2wwq n LEU 57 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wwq n LEU 57 CO 0.56 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.16 2wwq n ASN 58 N 0.00 -0.54 0.00 -1.43 6.94 -1.20 -3.98 115.26 115.05 2wwq n ASN 58 Ca 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 2wwq n ASN 58 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wwq n ASN 58 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wwq n ALA 59 N -3.00 0.16 -0.05 -2.53 0.00 -1.26 -4.78 120.51 109.05 2wwq n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wwq n ALA 59 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2wwq n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wwq n ASP 60 N 0.00 0.70 -0.42 0.00 10.43 -1.26 -4.47 116.55 121.53 2wwq n ASP 60 Ca 0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 2wwq n ASP 60 Cb 0.16 1.38 0.18 0.00 1.84 0.00 0.00 41.12 44.69 2wwq n ASP 60 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2wwq n LYS 61 N -2.41 1.79 -2.72 -1.24 5.02 -1.26 -4.95 118.16 112.39 2wwq n LYS 61 Ca -0.16 -2.77 -0.42 0.00 -2.02 0.00 0.00 58.31 52.94 2wwq n LYS 61 Cb 0.79 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2wwq n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wwq s VAL 62 N -2.93 4.73 0.41 -0.18 1.01 -1.24 -4.44 120.40 117.76 2wwq s VAL 62 Ca 0.36 2.06 -0.24 0.00 0.00 0.00 0.00 61.98 64.17 2wwq s VAL 62 Cb 0.31 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2wwq s VAL 62 CO 0.03 0.22 1.07 0.00 0.00 0.00 0.00 175.10 176.42 2wwq s ALA 63 N 0.63 3.06 -0.00 5.51 0.00 -1.16 -4.87 121.76 124.94 2wwq s ALA 63 Ca 0.50 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2wwq s ALA 63 Cb -0.22 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2wwq s ALA 63 CO 0.29 -0.30 0.57 1.55 0.00 0.00 0.00 175.76 177.87 2wwq n VAL 64 N -0.18 0.11 -4.37 0.00 3.14 -1.26 -2.69 118.33 113.09 2wwq n VAL 64 Ca 0.06 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2wwq n VAL 64 Cb 0.49 0.93 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 2wwq n VAL 64 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wwq n THR 65 N -0.06 0.00 -0.01 1.55 -2.24 -1.26 -3.71 114.28 108.56 2wwq n THR 65 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2wwq n THR 65 Cb 0.48 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 2wwq n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwq n GLY 66 N 0.00 -1.07 1.15 3.38 0.00 -1.26 -2.64 105.19 104.76 2wwq n GLY 66 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2wwq n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wwq n ASN 67 N -2.97 3.39 0.00 1.61 5.03 -1.26 -2.57 115.26 118.49 2wwq n ASN 67 Ca -0.15 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.32 2wwq n ASN 67 Cb 0.98 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 2wwq n ASN 67 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2wwq n LYS 68 N 1.40 0.00 0.13 3.52 5.02 -1.25 -4.25 118.16 122.72 2wwq n LYS 68 Ca 0.21 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 2wwq n LYS 68 Cb 0.57 -0.38 0.01 0.00 -0.02 0.00 0.00 35.03 35.21 2wwq n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2wwq h ARG 69 N 0.00 0.00 -0.35 1.97 2.43 -1.55 -3.06 114.38 113.82 2wwq h ARG 69 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2wwq h ARG 69 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2wwq h ARG 69 CO 0.00 0.52 0.10 1.15 -1.51 0.00 0.00 179.97 180.23 2wwq h THR 70 N 0.00 1.21 0.00 0.20 2.02 -1.70 -3.45 112.91 111.19 2wwq h THR 70 Ca -0.01 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2wwq h THR 70 Cb 1.42 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2wwq h THR 70 CO 0.07 0.24 0.00 -0.67 0.37 0.00 0.00 175.52 175.53 2wwq n ASP 71 N -4.64 0.00 -4.06 4.18 2.03 -1.18 -5.06 116.55 107.82 2wwq n ASP 71 Ca -0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.98 2wwq n ASP 71 Cb 0.18 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 2wwq n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2wwq s LYS 72 N 0.00 2.55 0.50 -0.67 2.47 -1.17 -4.25 119.74 119.17 2wwq s LYS 72 Ca 0.00 -0.73 -0.23 0.00 -1.56 0.00 0.00 55.97 53.45 2wwq s LYS 72 Cb 0.00 -2.35 -0.06 0.00 -1.46 0.00 0.00 37.83 33.95 2wwq s LYS 72 CO 0.00 -0.26 1.32 0.14 0.16 0.00 0.00 175.35 176.71 2wwq s VAL 73 N 1.38 2.35 -0.08 4.02 -7.23 -1.26 -3.55 120.40 116.03 2wwq s VAL 73 Ca 0.04 0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 60.44 2wwq s VAL 73 Cb -0.13 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.70 2wwq s VAL 73 CO -0.11 0.01 0.20 -0.31 -0.31 0.00 0.00 175.10 174.57 2wwq s TYR 74 N -1.33 -0.24 0.26 2.82 4.12 -0.33 -4.98 117.35 117.67 2wwq s TYR 74 Ca 0.67 0.61 0.10 0.00 0.02 0.00 0.00 57.07 58.47 2wwq s TYR 74 Cb -0.38 0.01 -0.05 0.00 -1.52 0.00 0.00 41.96 40.02 2wwq s TYR 74 CO 0.46 -0.18 -0.08 0.71 0.02 0.00 0.00 175.55 176.49 2wwq s TYR 75 N 0.94 2.56 -0.16 2.71 2.02 -1.26 -2.71 117.35 121.45 2wwq s TYR 75 Ca -0.07 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2wwq s TYR 75 Cb -0.09 -1.14 0.14 0.00 -0.40 0.00 0.00 41.96 40.47 2wwq s TYR 75 CO -0.05 0.64 1.06 -1.58 -1.57 0.00 0.00 175.55 174.05 2wwq s HIS 76 N -2.31 -0.29 -0.07 2.71 5.65 -0.84 -4.99 115.29 115.16 2wwq s HIS 76 Ca 0.30 0.43 -0.08 0.00 0.25 0.00 0.00 55.06 55.96 2wwq s HIS 76 Cb -0.06 0.47 0.02 0.00 -1.18 0.00 0.00 32.58 31.83 2wwq s HIS 76 CO 0.18 -0.30 0.22 -1.58 -0.65 0.00 0.00 174.74 172.61 2wwq s HIS 77 N -1.47 -0.20 -2.14 3.88 2.46 -1.26 -1.56 115.29 114.99 2wwq s HIS 77 Ca 0.02 0.47 0.18 0.00 0.47 0.00 0.00 55.06 56.20 2wwq s HIS 77 Cb -0.01 0.07 0.11 0.00 -0.13 0.00 0.00 32.58 32.62 2wwq s HIS 77 CO -0.02 -0.17 1.04 0.25 -2.47 0.00 0.00 174.74 173.38 2wwq n THR 78 N 2.59 0.00 -0.99 0.89 -2.24 -1.26 -4.92 114.28 108.36 2wwq n THR 78 Ca -0.15 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2wwq n THR 78 Cb 0.58 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 2wwq n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwq n GLY 79 N 1.08 0.71 3.65 3.38 0.00 -1.26 -5.00 105.19 107.74 2wwq n GLY 79 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2wwq n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wwq s HIS 80 N -2.87 2.99 0.00 1.61 3.76 -1.26 -5.05 115.29 114.47 2wwq s HIS 80 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 2wwq s HIS 80 Cb 0.00 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2wwq s HIS 80 CO 0.00 0.43 0.00 0.44 -0.85 0.00 0.00 174.74 174.76 2wwq n ILE 81 N 1.40 0.00 0.13 0.60 -5.35 -1.26 -1.44 119.36 113.44 2wwq n ILE 81 Ca -0.15 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2wwq n ILE 81 Cb 0.53 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.48 2wwq n ILE 81 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2wwq h GLY 82 N 0.00 0.00 0.00 3.28 0.00 -2.04 -3.50 103.07 100.81 2wwq h GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wwq h GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wwq n GLY 83 N 1.06 0.76 1.29 4.60 0.00 -0.52 -5.05 105.19 107.32 2wwq n GLY 83 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wwq n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwq n ILE 84 N 0.00 -7.26 -4.22 -0.61 2.08 -1.26 -4.97 119.36 103.12 2wwq n ILE 84 Ca 0.00 1.54 -0.26 0.00 0.56 0.00 0.00 62.75 64.59 2wwq n ILE 84 Cb 0.00 -3.78 -0.17 0.00 -0.75 0.00 0.00 39.64 34.94 2wwq n ILE 84 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2wwq s LYS 85 N -1.82 1.61 -0.01 0.38 2.47 -0.60 -4.99 119.74 116.78 2wwq s LYS 85 Ca 0.00 -0.33 0.04 0.00 -1.56 0.00 0.00 55.97 54.11 2wwq s LYS 85 Cb 0.00 -1.50 -0.01 0.00 -1.46 0.00 0.00 37.83 34.86 2wwq s LYS 85 CO 0.00 -0.13 -0.12 -1.14 0.16 0.00 0.00 175.35 174.12 2wwq s GLN 86 N 1.21 0.97 0.07 4.03 2.00 -1.26 -1.99 119.66 124.69 2wwq s GLN 86 Ca -0.04 -0.42 -0.17 0.00 -2.00 0.00 0.00 55.36 52.73 2wwq s GLN 86 Cb -0.14 -0.93 0.03 0.00 0.80 0.00 0.00 33.01 32.77 2wwq s GLN 86 CO -0.03 0.24 0.40 0.00 -0.50 0.00 0.00 175.29 175.41 2wwq s ALA 87 N -0.24 -0.97 0.41 1.58 0.00 -1.10 -5.04 121.76 116.40 2wwq s ALA 87 Ca 0.04 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.26 2wwq s ALA 87 Cb -0.05 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 23.45 2wwq s ALA 87 CO -0.00 -0.51 0.12 0.95 0.00 0.00 0.00 175.76 176.32 2wwq s THR 88 N -2.87 2.18 0.15 0.00 -4.23 -1.26 -1.19 115.64 108.43 2wwq s THR 88 Ca -0.03 -1.80 -0.26 0.00 -1.18 0.00 0.00 61.69 58.43 2wwq s THR 88 Cb 0.00 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2wwq s THR 88 CO -0.05 0.00 1.59 0.15 -0.54 0.00 0.00 174.62 175.76 2wwq h PHE 89 N 1.53 -1.09 -0.84 3.99 3.04 -1.85 -1.50 116.94 120.22 2wwq h PHE 89 Ca -0.43 0.06 0.21 0.00 3.98 0.00 0.00 57.97 61.79 2wwq h PHE 89 Cb 1.25 0.53 -0.13 0.00 2.56 0.00 0.00 35.95 40.16 2wwq h PHE 89 CO 0.68 -0.42 0.26 0.93 -2.02 0.00 0.00 178.31 177.73 2wwq h GLU 90 N -0.32 0.27 0.10 1.11 4.39 -1.90 -2.10 114.58 116.12 2wwq h GLU 90 Ca 0.14 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.55 2wwq h GLU 90 Cb 0.57 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2wwq h GLU 90 CO -0.53 0.18 -1.32 0.93 -1.16 0.00 0.00 179.01 177.12 2wwq h GLU 91 N 0.28 0.20 -0.95 2.33 4.39 -1.69 -1.74 114.58 117.40 2wwq h GLU 91 Ca 0.51 -0.35 0.19 0.00 0.34 0.00 0.00 59.36 60.05 2wwq h GLU 91 Cb 0.97 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 2wwq h GLU 91 CO -0.58 1.11 0.61 0.52 -1.16 0.00 0.00 179.01 179.51 2wwq h MET 92 N 0.06 0.58 -0.07 2.33 2.86 -1.11 0.03 114.93 119.61 2wwq h MET 92 Ca -0.16 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.26 2wwq h MET 92 Cb 1.95 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.48 2wwq h MET 92 CO 0.17 0.38 -0.77 0.82 1.06 0.00 0.00 176.91 178.58 2wwq h ILE 93 N 0.60 1.38 -0.49 -1.22 1.08 -0.64 -2.04 117.51 116.17 2wwq h ILE 93 Ca 0.51 -2.18 0.10 0.00 -0.39 0.00 0.00 64.86 62.90 2wwq h ILE 93 Cb 1.00 2.16 -0.10 0.00 -3.07 0.00 0.00 36.82 36.81 2wwq h ILE 93 CO -0.26 0.66 -0.21 0.00 -0.69 0.00 0.00 178.15 177.65 2wwq h ALA 94 N 0.87 0.16 -2.50 1.87 0.00 -1.14 -3.38 119.26 115.16 2wwq h ALA 94 Ca -0.04 0.17 -0.65 0.00 0.00 0.00 0.00 54.91 54.39 2wwq h ALA 94 Cb 1.36 0.53 -0.39 0.00 0.00 0.00 0.00 17.79 19.29 2wwq h ALA 94 CO 0.13 -0.54 -0.30 0.54 0.00 0.00 0.00 179.25 179.09 2wwq n ARG 95 N -5.40 2.66 -1.94 0.00 1.74 -0.03 -4.88 116.66 108.82 2wwq n ARG 95 Ca 0.04 -4.58 -0.00 0.00 -0.77 0.00 0.00 57.85 52.54 2wwq n ARG 95 Cb 0.31 -2.33 -0.00 0.00 -1.02 0.00 0.00 32.46 29.41 2wwq n ARG 95 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wwq n ARG 96 N 1.47 -1.36 0.12 5.56 1.74 -1.06 -4.58 116.66 118.54 2wwq n ARG 96 Ca 0.25 1.39 0.15 0.00 -0.77 0.00 0.00 57.85 58.88 2wwq n ARG 96 Cb 0.38 -2.59 0.69 0.00 -1.02 0.00 0.00 32.46 29.92 2wwq n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2wwq h PRO 97 N 1.19 0.00 -1.41 5.56 0.11 -1.71 -2.90 132.00 132.84 2wwq h PRO 97 Ca -0.04 0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.48 2wwq h PRO 97 Cb 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 2wwq h PRO 97 CO 0.03 0.00 1.27 0.93 -0.21 0.00 0.00 178.00 180.02 2wwq h GLU 98 N 0.00 0.00 0.00 1.05 5.08 -1.86 -2.78 114.58 116.08 2wwq h GLU 98 Ca 0.14 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 2wwq h GLU 98 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2wwq h GLU 98 CO -0.00 0.00 -1.02 0.00 -1.00 0.00 0.00 179.01 176.99 2wwq h ARG 99 N 0.00 0.01 0.00 2.33 3.08 -1.84 -3.01 114.38 114.94 2wwq h ARG 99 Ca 0.67 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.70 2wwq h ARG 99 Cb 3.20 0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.26 2wwq h ARG 99 CO -0.01 1.00 0.00 1.33 -1.07 0.00 0.00 179.97 181.22 2wwq n VAL 100 N -3.35 0.00 0.00 2.04 0.24 -1.05 -1.76 118.33 114.45 2wwq n VAL 100 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2wwq n VAL 100 Cb 0.95 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2wwq n VAL 100 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wwq n ILE 101 N -0.54 0.00 -0.10 1.34 5.41 -1.15 -4.50 119.36 119.81 2wwq n ILE 101 Ca 0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 2wwq n ILE 101 Cb 0.00 -0.35 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 2wwq n ILE 101 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2wwq h GLU 102 N 0.00 0.64 -0.12 0.38 5.08 -1.31 -2.20 114.58 117.04 2wwq h GLU 102 Ca 0.00 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 2wwq h GLU 102 Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wwq h GLU 102 CO 0.00 0.88 -0.54 -0.84 -1.00 0.00 0.00 179.01 177.50 2wwq h ILE 103 N 0.39 1.35 0.12 3.13 3.07 -1.64 -2.16 117.51 121.77 2wwq h ILE 103 Ca 0.06 -1.82 -0.01 0.00 1.55 0.00 0.00 64.86 64.64 2wwq h ILE 103 Cb 0.69 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2wwq h ILE 103 CO 0.05 0.55 -0.07 0.00 -1.05 0.00 0.00 178.15 177.62 2wwq h ALA 104 N 1.15 -0.95 -0.80 0.16 0.00 -1.76 -3.12 119.26 113.93 2wwq h ALA 104 Ca 0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2wwq h ALA 104 Cb 1.04 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2wwq h ALA 104 CO 0.09 -0.95 0.55 -0.39 0.00 0.00 0.00 179.25 178.56 2wwq h VAL 105 N -0.18 0.68 0.71 0.00 -1.51 -1.48 -3.27 116.25 111.20 2wwq h VAL 105 Ca -0.02 -0.08 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 2wwq h VAL 105 Cb 0.14 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 2wwq h VAL 105 CO 0.02 0.04 -0.43 0.50 -1.23 0.00 0.00 177.57 176.47 2wwq h LYS 106 N 0.23 -1.03 -0.46 5.19 3.64 -1.33 -2.05 116.57 120.77 2wwq h LYS 106 Ca 0.40 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2wwq h LYS 106 Cb 1.22 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2wwq h LYS 106 CO -0.09 -0.69 0.00 0.41 -2.27 0.00 0.00 179.45 176.81 2wwq n GLY 107 N -1.57 0.63 0.31 5.01 0.00 -1.21 -2.39 105.19 105.98 2wwq n GLY 107 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2wwq n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wwq n MET 108 N 0.17 0.76 -3.88 1.61 2.81 -0.79 -4.99 117.12 112.81 2wwq n MET 108 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 57.70 53.78 2wwq n MET 108 Cb 0.11 -1.07 -0.13 0.00 -0.71 0.00 0.00 33.22 31.42 2wwq n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wwq s LEU 109 N -1.70 1.87 0.45 4.03 1.43 -1.01 -4.90 118.68 118.86 2wwq s LEU 109 Ca 0.20 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.07 2wwq s LEU 109 Cb 0.18 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.49 2wwq s LEU 109 CO 0.01 -0.08 1.02 -2.16 0.23 0.00 0.00 176.35 175.36 2wwq s PRO 110 N -0.30 3.98 0.00 1.29 0.04 -1.26 -4.88 135.00 133.86 2wwq s PRO 110 Ca -0.03 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2wwq s PRO 110 Cb -0.02 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wwq s PRO 110 CO -0.00 -0.27 0.00 0.36 0.04 0.00 0.00 177.00 177.13 2wwq n LYS 111 N -0.71 0.00 0.00 4.56 2.85 -1.26 -3.79 118.16 119.82 2wwq n LYS 111 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2wwq n LYS 111 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2wwq n LYS 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wwq n GLY 112 N 0.00 0.43 0.36 2.58 0.00 -1.26 -4.67 105.19 102.62 2wwq n GLY 112 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wwq n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wwq h PRO 113 N 0.00 0.85 0.02 1.61 0.11 -1.98 -0.48 132.00 132.13 2wwq h PRO 113 Ca 0.00 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.74 2wwq h PRO 113 Cb 0.00 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 30.87 2wwq h PRO 113 CO 0.00 0.56 -1.90 -0.11 -0.21 0.00 0.00 178.00 176.34 2wwq n LEU 114 N -4.70 1.12 0.27 2.35 7.94 -1.26 -0.50 117.00 122.22 2wwq n LEU 114 Ca 0.21 0.29 0.15 0.00 -1.11 0.00 0.00 56.01 55.55 2wwq n LEU 114 Cb 0.46 -0.04 0.74 0.00 0.53 0.00 0.00 43.42 45.11 2wwq n LEU 114 CO 0.24 0.51 0.98 1.23 -1.11 0.00 0.00 177.39 179.24 2wwq h GLY 115 N 3.12 0.00 0.34 -3.96 0.00 -1.49 -2.24 103.07 98.84 2wwq h GLY 115 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.68 2wwq h GLY 115 CO 0.07 0.00 -2.07 -2.13 0.00 0.00 0.00 176.54 172.41 2wwq n ARG 116 N -3.35 0.66 0.02 4.80 0.63 -0.25 -0.27 116.66 118.90 2wwq n ARG 116 Ca -0.01 0.06 -0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2wwq n ARG 116 Cb 0.27 -1.62 0.29 0.00 0.45 0.00 0.00 32.46 31.86 2wwq n ARG 116 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwq h ALA 117 N 1.18 1.34 -0.02 5.13 0.00 -0.82 -3.17 119.26 122.90 2wwq h ALA 117 Ca -0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2wwq h ALA 117 Cb 1.96 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2wwq h ALA 117 CO 0.04 0.45 -0.21 -1.33 0.00 0.00 0.00 179.25 178.20 2wwq n MET 118 N -4.25 1.46 -0.04 0.00 2.81 -0.85 -1.90 117.12 114.35 2wwq n MET 118 Ca 0.01 -1.07 -0.17 0.00 -1.81 0.00 0.00 57.70 54.66 2wwq n MET 118 Cb 0.27 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 2wwq n MET 118 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2wwq h PHE 119 N 2.62 0.99 -0.36 2.03 0.04 -0.61 -3.34 116.94 118.31 2wwq h PHE 119 Ca 0.00 -0.42 0.08 0.00 2.80 0.00 0.00 57.97 60.43 2wwq h PHE 119 Cb 0.69 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2wwq h PHE 119 CO 0.00 1.24 0.25 0.00 -0.60 0.00 0.00 178.31 179.19 2wwq h ARG 120 N 0.47 0.13 -0.13 1.51 3.08 -1.39 -2.67 114.38 115.38 2wwq h ARG 120 Ca -0.03 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2wwq h ARG 120 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2wwq h ARG 120 CO 0.14 0.09 -0.31 0.87 -1.07 0.00 0.00 179.97 179.69 2wwq h LYS 121 N 0.14 0.44 -6.84 0.04 1.79 -1.69 -3.43 116.57 107.01 2wwq h LYS 121 Ca 0.16 -0.30 -0.50 0.00 -2.18 0.00 0.00 60.65 57.84 2wwq h LYS 121 Cb 0.48 0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2wwq h LYS 121 CO -0.02 0.91 0.46 -1.17 -1.08 0.00 0.00 179.45 178.55 2wwq s LEU 122 N -8.82 4.47 0.18 2.94 2.96 -1.01 -2.78 118.68 116.62 2wwq s LEU 122 Ca -0.14 2.22 0.08 0.00 -0.22 0.00 0.00 54.13 56.08 2wwq s LEU 122 Cb 0.05 -3.74 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2wwq s LEU 122 CO 0.79 -0.21 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.89 2wwq s LYS 123 N -1.66 1.31 -0.02 1.98 1.02 -1.02 -4.91 119.74 116.44 2wwq s LYS 123 Ca 0.47 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2wwq s LYS 123 Cb -0.30 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 2wwq s LYS 123 CO 0.38 0.24 0.01 0.14 -0.92 0.00 0.00 175.35 175.20 2wwq s VAL 124 N -2.38 0.10 0.17 3.17 -7.23 -1.26 -3.44 120.40 109.54 2wwq s VAL 124 Ca 0.18 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.38 2wwq s VAL 124 Cb -0.04 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.69 2wwq s VAL 124 CO 0.07 0.11 0.24 -0.31 -0.31 0.00 0.00 175.10 174.90 2wwq s TYR 125 N 0.85 0.59 -0.16 2.82 1.51 -1.26 -5.01 117.35 116.70 2wwq s TYR 125 Ca -0.08 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.06 2wwq s TYR 125 Cb -0.11 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2wwq s TYR 125 CO -0.02 -0.71 -0.19 0.00 -1.11 0.00 0.00 175.55 173.52 2wwq s ALA 126 N -4.02 2.19 0.00 3.71 0.00 -1.26 -4.13 121.76 118.25 2wwq s ALA 126 Ca 0.22 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2wwq s ALA 126 Cb 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2wwq s ALA 126 CO 0.03 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2wwq n GLY 127 N 4.47 2.27 0.00 0.00 0.00 -1.26 -4.90 105.19 105.79 2wwq n GLY 127 Ca -0.20 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.16 2wwq n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wwq n ASN 128 N 0.00 0.81 -4.34 1.61 4.13 -1.26 -3.24 115.26 112.96 2wwq n ASN 128 Ca 0.00 -0.71 -0.36 0.00 1.68 0.00 0.00 54.58 55.20 2wwq n ASN 128 Cb 0.00 0.76 0.06 0.00 -1.54 0.00 0.00 39.78 39.06 2wwq n ASN 128 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2wwq n GLU 129 N -1.53 0.09 -4.11 3.52 0.00 -1.26 -4.82 120.64 112.53 2wwq n GLU 129 Ca 0.04 0.06 -0.26 0.00 0.00 0.00 0.00 57.16 57.01 2wwq n GLU 129 Cb 0.34 -1.56 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 2wwq n GLU 129 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2wwq s HIS 130 N -2.03 3.08 0.00 -1.84 3.76 -1.26 -4.97 115.29 112.03 2wwq s HIS 130 Ca 0.58 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 2wwq s HIS 130 Cb -0.31 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2wwq s HIS 130 CO 0.66 0.52 0.48 0.27 -0.85 0.00 0.00 174.74 175.81 2wwq n ASN 131 N -0.39 -0.03 -0.35 1.40 0.23 -1.26 -4.85 115.26 110.01 2wwq n ASN 131 Ca -0.08 -0.95 -0.01 0.00 -0.53 0.00 0.00 54.58 53.01 2wwq n ASN 131 Cb 0.55 0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 38.25 2wwq n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wwq n HIS 132 N 0.00 0.00 -0.02 -2.53 1.44 -1.26 -4.97 115.22 107.88 2wwq n HIS 132 Ca -0.01 -0.05 0.21 0.00 -2.01 0.00 0.00 57.72 55.87 2wwq n HIS 132 Cb 0.47 0.23 0.70 0.00 0.12 0.00 0.00 29.99 31.51 2wwq n HIS 132 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wwq h ALA 133 N 0.00 2.52 0.00 1.59 0.00 -1.99 -3.05 119.26 118.34 2wwq h ALA 133 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wwq h ALA 133 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wwq h ALA 133 CO -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.50 2wwq h ALA 134 N 1.69 1.00 -0.81 0.00 0.00 -1.99 -2.44 119.26 116.71 2wwq h ALA 134 Ca 0.27 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.63 2wwq h ALA 134 Cb 1.12 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 2wwq h ALA 134 CO -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 2wwq n GLN 135 N -2.30 2.99 -3.76 0.00 -0.00 -1.15 -4.96 117.38 108.19 2wwq n GLN 135 Ca -0.01 -3.67 -0.27 0.00 -0.00 0.00 0.00 57.00 53.04 2wwq n GLN 135 Cb 0.04 -2.22 0.01 0.00 -0.00 0.00 0.00 30.24 28.06 2wwq n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2wwq n GLN 136 N -0.86 -1.20 -1.72 2.61 1.13 -0.92 -4.85 117.38 111.57 2wwq n GLN 136 Ca 0.51 0.66 -0.43 0.00 -1.94 0.00 0.00 57.00 55.80 2wwq n GLN 136 Cb 0.87 -2.92 -0.03 0.00 0.11 0.00 0.00 30.24 28.28 2wwq n GLN 136 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2wwq n PRO 137 N -3.22 2.61 -4.75 -1.09 -0.02 -1.26 -4.72 135.00 122.55 2wwq n PRO 137 Ca -0.22 0.94 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 2wwq n PRO 137 Cb 0.63 -2.74 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 2wwq n PRO 137 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wwq s GLN 138 N 0.41 3.40 0.37 -0.52 -1.52 -1.09 -4.97 119.66 115.73 2wwq s GLN 138 Ca 0.71 -0.68 -0.26 0.00 -1.95 0.00 0.00 55.36 53.19 2wwq s GLN 138 Cb -0.54 -2.65 -0.12 0.00 -0.22 0.00 0.00 33.01 29.49 2wwq s GLN 138 CO 0.40 0.21 0.99 1.33 -0.25 0.00 0.00 175.29 177.98 2wwq n VAL 139 N 3.54 2.19 -2.16 1.09 0.24 -1.26 -3.77 118.33 118.20 2wwq n VAL 139 Ca -0.18 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2wwq n VAL 139 Cb 0.53 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2wwq n VAL 139 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2wwq n LEU 140 N 0.85 -0.06 0.25 1.34 7.94 -1.13 -4.83 117.00 121.36 2wwq n LEU 140 Ca 0.09 -0.74 0.08 0.00 -1.11 0.00 0.00 56.01 54.33 2wwq n LEU 140 Cb 0.36 0.62 0.60 0.00 0.53 0.00 0.00 43.42 45.54 2wwq n LEU 140 CO 0.58 0.86 1.00 0.44 -1.11 0.00 0.00 177.39 179.16 2wwq h ASP 141 N 0.03 0.00 0.00 1.96 5.19 -1.76 -3.39 116.42 118.44 2wwq h ASP 141 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2wwq h ASP 141 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 2wwq h ASP 141 CO -0.01 0.08 0.00 2.30 -3.12 0.00 0.00 179.24 178.49