#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam s LYS 2 N 0.00 0.17 0.84 2.12 -2.85 -1.26 -5.16 119.74 113.60 2qam s LYS 2 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 54.75 2qam s LYS 2 Cb 0.00 0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.74 2qam s LYS 2 CO 0.00 -0.25 0.14 0.25 0.10 0.00 0.00 175.35 175.60 2qam n THR 3 N 3.61 0.64 -0.92 3.79 -2.24 -1.26 -4.92 114.28 112.98 2qam n THR 3 Ca 0.06 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 2qam n THR 3 Cb 0.63 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2qam n THR 3 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qam n PHE 4 N -2.75 -1.29 -2.85 4.78 -0.00 -1.26 -5.05 117.46 109.04 2qam n PHE 4 Ca 0.06 0.66 0.03 0.00 -0.00 0.00 0.00 57.45 58.21 2qam n PHE 4 Cb 0.52 -1.38 0.01 0.00 -0.00 0.00 0.00 39.48 38.62 2qam n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2qam s THR 5 N -2.00 -0.08 0.33 -2.13 -1.32 -1.26 -4.94 115.64 104.24 2qam s THR 5 Ca 0.26 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.50 2qam s THR 5 Cb 0.07 -0.03 -0.15 0.00 -1.51 0.00 0.00 72.50 70.89 2qam s THR 5 CO 0.47 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 173.32 2qam n ALA 6 N 4.06 -2.28 -2.95 11.08 0.00 -1.21 -4.94 120.51 124.27 2qam n ALA 6 Ca 0.07 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 2qam n ALA 6 Cb 0.62 -1.65 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 2qam n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qam s LYS 7 N -1.22 3.33 0.00 0.00 -0.14 -1.26 -4.96 119.74 115.50 2qam s LYS 7 Ca 0.62 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 2qam s LYS 7 Cb -0.73 -3.50 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 2qam s LYS 7 CO 0.59 -0.39 0.65 -2.30 -0.76 0.00 0.00 175.35 173.14 2qam n PRO 8 N 4.95 0.00 -0.39 -1.68 -0.02 -1.26 0.85 135.00 137.45 2qam n PRO 8 Ca -0.14 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 2qam n PRO 8 Cb 0.49 -1.69 0.24 0.00 -0.02 0.00 0.00 33.50 32.52 2qam n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qam n GLU 9 N -1.15 3.10 -0.15 -0.52 4.71 -1.26 -4.39 120.64 120.98 2qam n GLU 9 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 57.16 54.59 2qam n GLU 9 Cb 0.19 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 2qam n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qam n THR 10 N 0.18 0.00 -1.51 2.62 -2.24 0.25 -5.12 114.28 108.46 2qam n THR 10 Ca 0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.62 2qam n THR 10 Cb 0.73 0.61 0.09 0.00 -2.10 0.00 0.00 70.33 69.65 2qam n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qam s VAL 11 N 0.00 2.28 -0.20 2.28 1.01 -1.08 -4.90 120.40 119.80 2qam s VAL 11 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2qam s VAL 11 Cb 0.00 -2.79 -0.19 0.00 0.00 0.00 0.00 36.38 33.41 2qam s VAL 11 CO 0.00 -0.07 0.23 0.07 0.00 0.00 0.00 175.10 175.34 2qam h LYS 12 N -0.11 0.00 0.00 2.72 -0.00 -1.94 -3.49 116.57 113.76 2qam h LYS 12 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 2qam h LYS 12 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 2qam h LYS 12 CO 0.50 0.94 0.00 0.54 -0.00 0.00 0.00 179.45 181.43 2qam n ARG 13 N -4.46 0.00 -0.67 0.07 5.12 -1.26 -4.92 116.66 110.54 2qam n ARG 13 Ca -0.29 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.63 2qam n ARG 13 Cb 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.94 2qam n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qam n ASP 14 N 4.36 -4.38 -4.88 0.55 10.43 -1.26 -2.92 116.55 118.46 2qam n ASP 14 Ca 0.00 0.44 -0.30 0.00 2.57 0.00 0.00 54.79 57.49 2qam n ASP 14 Cb 0.00 -1.17 -0.04 0.00 1.84 0.00 0.00 41.12 41.75 2qam n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2qam s TRP 15 N -1.13 3.45 0.11 1.24 0.52 -1.26 0.73 118.94 122.60 2qam s TRP 15 Ca 0.00 0.95 -0.09 0.00 0.02 0.00 0.00 56.10 56.98 2qam s TRP 15 Cb 0.00 -2.35 -0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2qam s TRP 15 CO 0.00 0.05 0.23 0.71 0.02 0.00 0.00 176.95 177.96 2qam s TYR 16 N -2.15 0.22 -0.08 -1.98 1.51 -1.26 -3.53 117.35 110.07 2qam s TYR 16 Ca 0.49 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2qam s TYR 16 Cb -0.11 -0.05 0.03 0.00 -0.11 0.00 0.00 41.96 41.73 2qam s TYR 16 CO 0.27 -0.60 0.04 0.08 -1.11 0.00 0.00 175.55 174.22 2qam s VAL 17 N -3.89 0.16 0.08 0.71 1.01 -1.23 -2.18 120.40 115.05 2qam s VAL 17 Ca 0.09 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2qam s VAL 17 Cb 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2qam s VAL 17 CO -0.08 0.13 -0.12 0.54 0.00 0.00 0.00 175.10 175.57 2qam s VAL 18 N 2.05 1.01 -0.22 2.92 0.11 -0.82 -2.54 120.40 122.92 2qam s VAL 18 Ca 0.04 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.72 2qam s VAL 18 Cb -0.13 -1.08 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2qam s VAL 18 CO -0.05 -0.32 -0.11 -0.62 -3.33 0.00 0.00 175.10 170.67 2qam s ASP 19 N -1.89 3.91 -1.17 3.54 3.68 -1.26 0.71 116.67 124.19 2qam s ASP 19 Ca -0.01 -0.68 -0.09 0.00 2.13 0.00 0.00 52.55 53.90 2qam s ASP 19 Cb -0.08 -1.62 0.23 0.00 -1.45 0.00 0.00 42.92 40.00 2qam s ASP 19 CO 0.02 -0.06 1.50 0.00 0.13 0.00 0.00 175.17 176.76 2qam n ALA 20 N 4.68 4.72 -1.64 3.66 0.00 -1.26 -4.82 120.51 125.85 2qam n ALA 20 Ca -0.18 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.74 2qam n ALA 20 Cb 0.49 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2qam n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qam n THR 21 N 2.92 0.00 0.39 0.00 -1.04 -1.26 -2.85 114.28 112.43 2qam n THR 21 Ca 0.32 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.37 2qam n THR 21 Cb 0.37 -0.31 0.21 0.00 -1.82 0.00 0.00 70.33 68.78 2qam n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qam n GLY 22 N 3.03 -0.60 3.68 3.41 0.00 -1.26 -3.00 105.19 110.46 2qam n GLY 22 Ca 0.00 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2qam n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 23 N -1.32 2.12 0.00 1.61 4.76 -1.26 -4.48 118.16 119.60 2qam n LYS 23 Ca 0.04 0.75 0.09 0.00 -2.87 0.00 0.00 58.31 56.32 2qam n LYS 23 Cb 0.07 -2.41 0.49 0.00 -1.84 0.00 0.00 35.03 31.34 2qam n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qam n THR 24 N 1.68 0.11 -1.14 -0.18 -2.24 -1.26 -0.11 114.28 111.14 2qam n THR 24 Ca 0.10 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2qam n THR 24 Cb 0.33 -0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 2qam n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qam n LEU 25 N -1.06 -0.81 0.00 3.22 -0.00 -1.25 -4.10 117.00 113.00 2qam n LEU 25 Ca 0.12 1.89 0.00 0.00 -0.00 0.00 0.00 56.01 58.02 2qam n LEU 25 Cb 0.07 -2.51 0.00 0.00 -0.00 0.00 0.00 43.42 40.98 2qam n LEU 25 CO 0.10 -1.74 0.00 0.61 -0.00 0.00 0.00 177.39 176.36 2qam n GLY 26 N -3.85 0.88 0.25 -3.96 0.00 -1.26 -3.89 105.19 93.35 2qam n GLY 26 Ca -0.07 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.10 2qam n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qam h ARG 27 N 0.00 0.00 0.01 1.61 3.08 -1.99 0.71 114.38 117.80 2qam h ARG 27 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2qam h ARG 27 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2qam h ARG 27 CO 0.00 0.00 -2.37 -0.11 -1.07 0.00 0.00 179.97 176.42 2qam n LEU 28 N -2.61 2.12 -0.13 3.04 0.00 -1.25 -3.75 117.00 114.41 2qam n LEU 28 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 56.01 55.87 2qam n LEU 28 Cb 0.12 -0.54 0.01 0.00 0.00 0.00 0.00 43.42 43.01 2qam n LEU 28 CO 0.13 0.80 1.04 0.00 0.00 0.00 0.00 177.39 179.36 2qam h ALA 29 N 0.30 0.53 0.07 1.96 0.00 -0.95 0.91 119.26 122.08 2qam h ALA 29 Ca -0.54 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2qam h ALA 29 Cb 2.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2qam h ALA 29 CO -0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 179.25 178.97 2qam h THR 30 N 0.54 0.53 -0.48 0.00 1.03 0.07 0.79 112.91 115.40 2qam h THR 30 Ca 0.16 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.60 2qam h THR 30 Cb -0.04 0.53 -0.04 0.00 -1.07 0.00 0.00 68.15 67.54 2qam h THR 30 CO -0.05 0.00 0.24 -0.08 -0.01 0.00 0.00 175.52 175.62 2qam h GLU 31 N -0.37 0.47 -0.38 0.00 4.57 -1.53 0.79 114.58 118.13 2qam h GLU 31 Ca 0.04 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2qam h GLU 31 Cb 0.41 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 2qam h GLU 31 CO -0.14 0.31 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.79 2qam h LEU 32 N 0.48 -0.50 0.10 1.64 3.38 0.19 -1.05 115.31 119.55 2qam h LEU 32 Ca 0.21 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2qam h LEU 32 Cb 0.11 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2qam h LEU 32 CO -0.14 -0.18 -0.43 0.00 0.09 0.00 0.00 178.44 177.79 2qam h ALA 33 N 1.27 -0.75 -0.95 1.53 0.00 0.20 0.10 119.26 120.66 2qam h ALA 33 Ca 0.19 -0.07 0.29 0.00 0.00 0.00 0.00 54.91 55.32 2qam h ALA 33 Cb 0.35 0.72 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 2qam h ALA 33 CO -0.43 -0.99 0.25 0.00 0.00 0.00 0.00 179.25 178.08 2qam h ARG 34 N -0.65 0.09 0.66 0.00 2.47 0.02 0.37 114.38 117.35 2qam h ARG 34 Ca 0.02 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2qam h ARG 34 Cb 0.68 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.99 2qam h ARG 34 CO -0.26 0.06 -0.32 -0.09 0.56 0.00 0.00 179.97 179.93 2qam h ARG 35 N 0.10 -0.86 -0.11 0.04 9.65 0.13 0.30 114.38 123.64 2qam h ARG 35 Ca 0.64 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.63 2qam h ARG 35 Cb 1.44 0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 30.15 2qam h ARG 35 CO -0.78 -0.53 -0.35 -0.07 2.80 0.00 0.00 179.97 181.04 2qam h LEU 36 N -1.09 -1.09 0.00 3.80 -0.00 0.99 0.30 115.31 118.22 2qam h LEU 36 Ca -0.09 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2qam h LEU 36 Cb 0.72 0.45 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2qam h LEU 36 CO 0.15 -0.39 0.00 -1.14 -0.00 0.00 0.00 178.44 177.06 2qam n ARG 37 N -5.42 0.04 -2.50 1.13 0.63 0.11 -3.53 116.66 107.11 2qam n ARG 37 Ca -0.04 0.26 -0.18 0.00 -0.92 0.00 0.00 57.85 56.97 2qam n ARG 37 Cb 0.34 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2qam n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qam n GLY 38 N -0.22 -0.37 0.28 5.14 0.00 0.10 -4.55 105.19 105.57 2qam n GLY 38 Ca 0.04 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2qam n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qam h LYS 39 N -0.34 0.00 -0.05 1.61 1.63 -0.78 -2.71 116.57 115.92 2qam h LYS 39 Ca -0.44 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.20 2qam h LYS 39 Cb 1.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 2qam h LYS 39 CO 0.50 0.08 -0.69 1.12 -3.45 0.00 0.00 179.45 177.01 2qam h HIS 40 N 0.00 0.34 -0.27 1.91 2.07 -1.90 -3.43 115.15 113.87 2qam h HIS 40 Ca -0.00 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 2qam h HIS 40 Cb 0.25 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.18 2qam h HIS 40 CO 0.00 0.86 0.00 1.63 -3.07 0.00 0.00 177.93 177.35 2qam n LYS 41 N -3.82 2.29 -2.10 5.12 5.02 -1.02 -4.87 118.16 118.79 2qam n LYS 41 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 2qam n LYS 41 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.69 2qam n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qam n ALA 42 N -3.00 6.44 0.00 7.82 0.00 -1.26 -4.81 120.51 125.69 2qam n ALA 42 Ca 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.37 2qam n ALA 42 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 2qam n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qam n GLU 43 N 0.43 0.00 -1.40 0.00 0.00 -1.25 -4.62 120.64 113.80 2qam n GLU 43 Ca 0.53 0.03 -0.16 0.00 0.00 0.00 0.00 57.16 57.56 2qam n GLU 43 Cb 0.30 -1.86 -0.17 0.00 0.00 0.00 0.00 31.44 29.72 2qam n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qam n TYR 44 N -0.94 0.11 0.00 4.31 -0.00 -1.26 -3.47 117.16 115.91 2qam n TYR 44 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 2qam n TYR 44 Cb 0.36 -0.72 0.00 0.00 -0.00 0.00 0.00 39.34 38.98 2qam n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qam n THR 45 N 5.64 0.00 0.14 2.97 5.66 -1.26 -3.30 114.28 124.12 2qam n THR 45 Ca 0.51 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.55 2qam n THR 45 Cb 0.25 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.24 2qam n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qam n PRO 46 N 0.00 0.06 -0.78 1.09 -0.02 -1.23 0.17 135.00 134.29 2qam n PRO 46 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2qam n PRO 46 Cb 0.00 -2.10 0.28 0.00 -0.02 0.00 0.00 33.50 31.66 2qam n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2qam n HIS 47 N -1.85 1.68 -3.77 6.00 1.44 -1.26 -4.93 115.22 112.52 2qam n HIS 47 Ca -0.01 -1.12 -0.13 0.00 -2.01 0.00 0.00 57.72 54.46 2qam n HIS 47 Cb 0.43 -0.51 -0.13 0.00 0.12 0.00 0.00 29.99 29.90 2qam n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qam s VAL 48 N -2.97 -0.02 -0.61 0.61 1.01 0.13 -5.08 120.40 113.47 2qam s VAL 48 Ca 0.49 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 2qam s VAL 48 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.49 2qam s VAL 48 CO 0.10 0.03 1.60 -0.62 0.00 0.00 0.00 175.10 176.21 2qam s ASP 49 N 0.61 5.74 -0.55 3.32 2.15 -1.26 -4.89 116.67 121.78 2qam s ASP 49 Ca -0.04 0.19 0.06 0.00 0.43 0.00 0.00 52.55 53.19 2qam s ASP 49 Cb -0.06 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.24 2qam s ASP 49 CO -0.03 -2.04 0.57 0.35 -0.17 0.00 0.00 175.17 173.85 2qam n THR 50 N 6.93 0.82 -3.86 1.71 -2.24 -1.26 -4.94 114.28 111.44 2qam n THR 50 Ca 0.14 -4.54 -0.09 0.00 -2.27 0.00 0.00 64.05 57.30 2qam n THR 50 Cb 0.50 -2.01 -0.07 0.00 -2.10 0.00 0.00 70.33 66.65 2qam n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qam s GLY 51 N -1.51 0.10 0.63 3.38 0.00 -1.23 -3.62 107.32 105.07 2qam s GLY 51 Ca 0.34 -0.62 -0.18 0.00 0.00 0.00 0.00 44.72 44.27 2qam s GLY 51 CO -0.10 -0.80 1.07 1.22 0.00 0.00 0.00 173.10 174.48 2qam n ASP 52 N -0.01 1.14 -1.14 1.64 10.43 -1.03 -4.35 116.55 123.23 2qam n ASP 52 Ca -0.15 0.80 -0.01 0.00 2.57 0.00 0.00 54.79 57.99 2qam n ASP 52 Cb 0.62 -1.44 0.12 0.00 1.84 0.00 0.00 41.12 42.26 2qam n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2qam n TYR 53 N -1.89 0.85 -1.05 1.24 4.01 0.22 -4.36 117.16 116.19 2qam n TYR 53 Ca 0.15 -0.49 -0.39 0.00 -0.16 0.00 0.00 57.90 57.00 2qam n TYR 53 Cb 0.48 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2qam n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qam n ILE 54 N 0.12 0.63 -4.10 -0.72 0.13 -1.26 -4.29 119.36 109.86 2qam n ILE 54 Ca 0.13 -0.16 -0.23 0.00 -1.10 0.00 0.00 62.75 61.39 2qam n ILE 54 Cb 0.69 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 39.33 2qam n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qam s ILE 55 N -0.31 0.76 0.87 9.51 -4.36 -0.93 -3.59 121.20 123.15 2qam s ILE 55 Ca 0.57 -0.19 -0.11 0.00 -0.26 0.00 0.00 60.65 60.66 2qam s ILE 55 Cb -0.81 -0.78 0.11 0.00 1.25 0.00 0.00 42.46 42.23 2qam s ILE 55 CO 0.41 0.30 1.09 -0.69 0.24 0.00 0.00 174.94 176.29 2qam s VAL 56 N 1.29 2.79 0.00 8.37 1.01 -1.26 -1.95 120.40 130.65 2qam s VAL 56 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2qam s VAL 56 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2qam s VAL 56 CO -0.02 -0.33 0.00 -0.11 0.00 0.00 0.00 175.10 174.63 2qam n LEU 57 N -3.81 0.00 0.00 3.92 7.94 0.22 -4.09 117.00 121.18 2qam n LEU 57 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2qam n LEU 57 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2qam n LEU 57 CO 0.55 0.00 0.28 0.59 -1.11 0.00 0.00 177.39 177.70 2qam n ASN 58 N 0.00 0.00 0.00 1.96 4.13 -1.26 -3.56 115.26 116.53 2qam n ASN 58 Ca 0.00 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.88 2qam n ASN 58 Cb 0.00 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 2qam n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qam n ALA 59 N -1.23 0.00 0.56 5.41 0.00 -1.13 -4.17 120.51 119.94 2qam n ALA 59 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2qam n ALA 59 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2qam n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qam n ASP 60 N 0.72 0.00 -1.06 0.00 5.75 -1.25 -0.53 116.55 120.17 2qam n ASP 60 Ca 0.00 -0.36 0.04 0.00 -0.01 0.00 0.00 54.79 54.47 2qam n ASP 60 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2qam n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qam n LYS 61 N -0.86 0.42 -2.72 0.11 5.02 -1.26 -5.09 118.16 113.77 2qam n LYS 61 Ca 0.05 -2.16 -0.33 0.00 -2.02 0.00 0.00 58.31 53.86 2qam n LYS 61 Cb 0.02 -0.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.46 2qam n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qam s VAL 62 N -0.87 4.47 0.73 -0.18 0.11 0.31 -4.11 120.40 120.87 2qam s VAL 62 Ca 0.29 1.32 -0.08 0.00 -2.93 0.00 0.00 61.98 60.59 2qam s VAL 62 Cb 0.32 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.60 2qam s VAL 62 CO -0.11 -0.43 1.05 0.00 -3.33 0.00 0.00 175.10 172.29 2qam s ALA 63 N -2.30 3.06 0.00 1.54 0.00 0.84 -4.99 121.76 119.91 2qam s ALA 63 Ca 0.60 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2qam s ALA 63 Cb -0.09 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2qam s ALA 63 CO 0.20 -1.42 0.00 1.55 0.00 0.00 0.00 175.76 176.09 2qam n VAL 64 N -3.02 0.00 -0.13 0.00 3.14 -1.26 -3.81 118.33 113.25 2qam n VAL 64 Ca 0.09 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.48 2qam n VAL 64 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.38 2qam n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qam n THR 65 N -0.36 -0.04 -3.03 1.55 5.66 -1.26 -4.87 114.28 111.92 2qam n THR 65 Ca 0.00 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2qam n THR 65 Cb 0.00 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 2qam n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qam n GLY 66 N -2.46 0.94 1.01 1.09 0.00 -1.26 -3.02 105.19 101.49 2qam n GLY 66 Ca -0.01 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.50 2qam n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qam n ASN 67 N -3.39 3.04 -0.42 1.61 3.02 -1.26 -4.48 115.26 113.38 2qam n ASN 67 Ca 0.00 -1.93 0.35 0.00 -0.03 0.00 0.00 54.58 52.96 2qam n ASN 67 Cb 0.00 -0.19 0.63 0.00 -0.61 0.00 0.00 39.78 39.61 2qam n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qam h LYS 68 N 4.05 0.10 -0.99 3.52 1.57 -1.82 0.22 116.57 123.22 2qam h LYS 68 Ca 0.00 -0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.13 2qam h LYS 68 Cb 0.89 -0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.00 2qam h LYS 68 CO 0.00 0.06 0.42 -0.09 -0.57 0.00 0.00 179.45 179.28 2qam h ARG 69 N 0.10 0.07 0.00 3.15 9.65 -1.78 0.63 114.38 126.20 2qam h ARG 69 Ca 0.81 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.69 2qam h ARG 69 Cb 2.45 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 31.01 2qam h ARG 69 CO -0.47 0.05 -0.04 0.25 2.80 0.00 0.00 179.97 182.56 2qam n THR 70 N -5.27 0.99 -2.16 0.20 -2.24 0.61 -0.30 114.28 106.11 2qam n THR 70 Ca 0.33 -1.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.07 2qam n THR 70 Cb 1.09 0.40 0.07 0.00 -2.10 0.00 0.00 70.33 69.79 2qam n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qam n ASP 71 N -0.61 1.12 -0.85 3.42 9.92 0.11 -4.90 116.55 124.75 2qam n ASP 71 Ca 0.04 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.79 2qam n ASP 71 Cb 0.41 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 2qam n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qam n LYS 72 N -0.03 3.43 0.00 -1.24 0.00 -0.55 -4.70 118.16 115.06 2qam n LYS 72 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 2qam n LYS 72 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.00 2qam n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qam n VAL 73 N 0.00 0.00 -2.39 3.15 0.24 -1.26 -4.79 118.33 113.28 2qam n VAL 73 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2qam n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qam n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qam n TYR 74 N 0.00 -2.68 -4.11 6.34 0.53 -1.26 -2.56 117.16 113.41 2qam n TYR 74 Ca 0.00 1.15 -0.27 0.00 -1.02 0.00 0.00 57.90 57.76 2qam n TYR 74 Cb 0.00 -3.30 -0.07 0.00 -1.03 0.00 0.00 39.34 34.95 2qam n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 2qam s TYR 75 N -1.53 3.05 -0.28 -0.72 2.02 -1.26 -2.78 117.35 115.85 2qam s TYR 75 Ca 0.07 -0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 56.51 2qam s TYR 75 Cb -0.02 -1.50 0.12 0.00 -0.40 0.00 0.00 41.96 40.16 2qam s TYR 75 CO 0.55 0.51 0.98 -3.38 -1.57 0.00 0.00 175.55 172.64 2qam s HIS 76 N -1.63 -0.55 0.02 2.71 -3.43 -0.80 -4.99 115.29 106.63 2qam s HIS 76 Ca 0.29 1.26 -0.07 0.00 -0.80 0.00 0.00 55.06 55.74 2qam s HIS 76 Cb -0.10 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.37 2qam s HIS 76 CO 0.21 -0.27 0.30 -1.58 -2.00 0.00 0.00 174.74 171.40 2qam s HIS 77 N 0.57 3.58 -2.37 0.38 2.46 -1.26 -0.77 115.29 117.89 2qam s HIS 77 Ca -0.01 0.62 0.28 0.00 0.47 0.00 0.00 55.06 56.43 2qam s HIS 77 Cb -0.05 -2.03 1.16 0.00 -0.13 0.00 0.00 32.58 31.53 2qam s HIS 77 CO -0.09 0.59 1.81 0.25 -2.47 0.00 0.00 174.74 174.83 2qam n THR 78 N 1.08 0.00 -2.07 0.89 -2.24 -1.26 -4.85 114.28 105.83 2qam n THR 78 Ca -0.11 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2qam n THR 78 Cb 0.53 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 2qam n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qam n GLY 79 N 1.16 0.11 1.74 3.38 0.00 -1.26 -5.01 105.19 105.31 2qam n GLY 79 Ca 0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2qam n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qam n HIS 80 N -3.85 0.14 0.00 1.61 8.25 -1.26 -5.07 115.22 115.03 2qam n HIS 80 Ca -0.11 -1.33 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 2qam n HIS 80 Cb 0.55 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2qam n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qam n ILE 81 N -0.49 0.00 -0.12 1.59 3.06 -1.26 -3.77 119.36 118.36 2qam n ILE 81 Ca -0.04 0.55 -0.17 0.00 -2.50 0.00 0.00 62.75 60.60 2qam n ILE 81 Cb 0.32 -0.81 -0.13 0.00 0.54 0.00 0.00 39.64 39.56 2qam n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qam n GLY 82 N -0.79 -0.49 5.33 4.50 0.00 -1.26 -5.00 105.19 107.49 2qam n GLY 82 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2qam n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 83 N 2.16 1.66 3.02 -0.02 0.00 -1.25 -4.86 105.19 105.91 2qam n GLY 83 Ca -0.43 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2qam n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qam n ILE 84 N 0.00 -2.17 -4.17 -0.61 0.13 -1.25 -4.85 119.36 106.45 2qam n ILE 84 Ca 0.00 0.37 -0.23 0.00 -1.10 0.00 0.00 62.75 61.80 2qam n ILE 84 Cb 0.00 -2.83 -0.05 0.00 -0.84 0.00 0.00 39.64 35.92 2qam n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qam s LYS 85 N -1.18 2.72 0.03 9.51 -0.14 0.05 -4.94 119.74 125.79 2qam s LYS 85 Ca 0.07 -1.15 -0.11 0.00 -1.36 0.00 0.00 55.97 53.42 2qam s LYS 85 Cb -0.01 -2.44 0.01 0.00 -1.68 0.00 0.00 37.83 33.71 2qam s LYS 85 CO 0.17 0.40 0.23 1.14 -0.76 0.00 0.00 175.35 176.53 2qam s GLN 86 N -3.71 0.71 -0.27 1.68 -2.07 -1.26 -1.91 119.66 112.83 2qam s GLN 86 Ca 0.32 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 2qam s GLN 86 Cb -0.08 0.30 0.15 0.00 -1.09 0.00 0.00 33.01 32.30 2qam s GLN 86 CO 0.23 -0.21 0.42 0.00 -1.32 0.00 0.00 175.29 174.41 2qam s ALA 87 N -2.34 -1.28 0.77 2.60 0.00 -1.06 -5.04 121.76 115.41 2qam s ALA 87 Ca -0.07 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2qam s ALA 87 Cb -0.02 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2qam s ALA 87 CO -0.02 -1.54 0.49 -2.37 0.00 0.00 0.00 175.76 172.32 2qam n THR 88 N 5.37 1.42 -0.35 0.00 5.66 -1.24 -4.35 114.28 120.79 2qam n THR 88 Ca -0.01 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.53 2qam n THR 88 Cb 0.50 -0.71 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 2qam n THR 88 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2qam h PHE 89 N -0.60 -1.70 -0.85 1.09 3.04 -1.76 0.33 116.94 116.49 2qam h PHE 89 Ca -0.45 0.11 0.18 0.00 3.98 0.00 0.00 57.97 61.79 2qam h PHE 89 Cb 1.34 0.86 -0.11 0.00 2.56 0.00 0.00 35.95 40.59 2qam h PHE 89 CO 0.35 -0.40 0.38 1.49 -2.02 0.00 0.00 178.31 178.11 2qam h GLU 90 N -0.09 0.46 -0.43 1.11 4.81 -0.91 0.18 114.58 119.72 2qam h GLU 90 Ca 0.17 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qam h GLU 90 Cb 0.48 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2qam h GLU 90 CO -0.86 0.31 0.17 0.93 -0.73 0.00 0.00 179.01 178.82 2qam h GLU 91 N 0.47 0.64 -0.21 1.92 5.08 -0.73 -2.68 114.58 119.08 2qam h GLU 91 Ca 0.50 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2qam h GLU 91 Cb 0.84 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2qam h GLU 91 CO -0.45 0.59 0.07 0.52 -1.00 0.00 0.00 179.01 178.73 2qam h MET 92 N 0.55 0.32 -0.36 2.33 2.86 0.72 -2.53 114.93 118.82 2qam h MET 92 Ca 0.14 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.82 2qam h MET 92 Cb 0.19 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2qam h MET 92 CO -0.01 0.41 0.35 0.97 1.06 0.00 0.00 176.91 179.69 2qam h ILE 93 N 0.17 0.49 -0.09 -1.22 6.09 -0.62 -1.03 117.51 121.30 2qam h ILE 93 Ca 0.07 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.54 2qam h ILE 93 Cb 0.22 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.24 2qam h ILE 93 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 2qam h ALA 94 N 1.64 0.12 -3.14 0.18 0.00 -1.10 -3.40 119.26 113.56 2qam h ALA 94 Ca 0.17 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2qam h ALA 94 Cb 0.87 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.27 2qam h ALA 94 CO -0.00 -0.20 -0.82 -0.98 0.00 0.00 0.00 179.25 177.24 2qam s ARG 95 N -5.02 1.99 -0.64 0.00 1.04 -0.39 -4.85 118.95 111.07 2qam s ARG 95 Ca -0.14 -0.43 -0.03 0.00 -1.04 0.00 0.00 55.73 54.08 2qam s ARG 95 Cb 0.05 -1.90 -0.04 0.00 -2.04 0.00 0.00 34.95 31.03 2qam s ARG 95 CO 0.70 -0.25 0.57 0.54 -0.04 0.00 0.00 175.30 176.82 2qam n ARG 96 N 4.84 -1.34 0.23 3.89 1.74 -1.25 -4.75 116.66 120.02 2qam n ARG 96 Ca -0.15 0.71 0.16 0.00 -0.77 0.00 0.00 57.85 57.79 2qam n ARG 96 Cb 0.50 -4.34 0.67 0.00 -1.02 0.00 0.00 32.46 28.27 2qam n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qam h PRO 97 N -0.48 0.00 -0.96 5.56 0.11 -1.77 -3.07 132.00 131.39 2qam h PRO 97 Ca -0.31 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.89 2qam h PRO 97 Cb 1.16 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2qam h PRO 97 CO 0.27 0.00 0.62 0.93 -0.21 0.00 0.00 178.00 179.61 2qam h GLU 98 N 0.00 1.00 -0.80 1.05 3.07 -1.91 -2.36 114.58 114.63 2qam h GLU 98 Ca 0.00 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 2qam h GLU 98 Cb 0.37 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2qam h GLU 98 CO 0.00 0.66 0.33 0.00 -1.40 0.00 0.00 179.01 178.60 2qam h ARG 99 N 1.03 1.18 -1.45 2.33 3.08 -1.93 -0.94 114.38 117.68 2qam h ARG 99 Ca 0.44 -0.20 0.42 0.00 0.07 0.00 0.00 59.98 60.71 2qam h ARG 99 Cb 0.34 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 2qam h ARG 99 CO -0.20 0.94 1.16 0.28 -1.07 0.00 0.00 179.97 181.08 2qam h VAL 100 N 1.15 0.14 0.00 2.04 2.07 -1.61 0.35 116.25 120.39 2qam h VAL 100 Ca 0.27 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.43 2qam h VAL 100 Cb 0.19 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2qam h VAL 100 CO -0.03 0.00 -2.30 -0.38 0.02 0.00 0.00 177.57 174.88 2qam n ILE 101 N -3.84 1.30 -0.29 4.57 2.08 -0.95 -3.36 119.36 118.86 2qam n ILE 101 Ca 0.32 -0.46 0.10 0.00 0.56 0.00 0.00 62.75 63.27 2qam n ILE 101 Cb 1.61 -1.42 0.26 0.00 -0.75 0.00 0.00 39.64 39.34 2qam n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2qam h GLU 102 N -0.20 0.47 0.06 0.38 5.08 0.78 0.58 114.58 121.73 2qam h GLU 102 Ca -0.53 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.51 2qam h GLU 102 Cb 1.73 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2qam h GLU 102 CO -0.14 0.31 -1.54 -0.84 -1.00 0.00 0.00 179.01 175.80 2qam h ILE 103 N 0.48 1.10 -0.41 3.13 -0.00 -0.71 -1.46 117.51 119.64 2qam h ILE 103 Ca 0.50 -2.83 0.01 0.00 -0.00 0.00 0.00 64.86 62.54 2qam h ILE 103 Cb 0.85 2.64 -0.02 0.00 -0.00 0.00 0.00 36.82 40.29 2qam h ILE 103 CO -0.45 0.75 0.27 0.00 -0.00 0.00 0.00 178.15 178.72 2qam h ALA 104 N 0.70 1.75 0.10 0.16 0.00 -1.17 0.40 119.26 121.21 2qam h ALA 104 Ca -0.23 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 2qam h ALA 104 Cb 1.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2qam h ALA 104 CO 0.12 0.22 -1.74 -0.39 0.00 0.00 0.00 179.25 177.46 2qam h VAL 105 N 0.52 0.90 0.00 0.00 -1.51 0.02 -3.29 116.25 112.89 2qam h VAL 105 Ca 0.16 -2.60 -0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2qam h VAL 105 Cb -0.00 2.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2qam h VAL 105 CO -0.04 0.78 -0.01 0.50 -1.23 0.00 0.00 177.57 177.57 2qam h LYS 106 N 0.06 0.00 0.00 5.19 1.63 -0.40 0.20 116.57 123.25 2qam h LYS 106 Ca -0.32 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.38 2qam h LYS 106 Cb 2.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.65 2qam h LYS 106 CO 0.12 0.01 -0.47 0.78 -3.45 0.00 0.00 179.45 176.44 2qam h GLY 107 N 0.79 0.00 1.07 5.01 0.00 -0.30 -3.21 103.07 106.43 2qam h GLY 107 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2qam h GLY 107 CO 0.00 0.00 -1.64 -0.33 0.00 0.00 0.00 176.54 174.57 2qam h MET 108 N 0.00 0.46 -7.07 4.80 2.86 -0.80 -3.47 114.93 111.71 2qam h MET 108 Ca -0.00 -0.78 -0.56 0.00 -2.06 0.00 0.00 59.70 56.30 2qam h MET 108 Cb 1.26 0.29 0.16 0.00 0.06 0.00 0.00 31.60 33.38 2qam h MET 108 CO 0.06 1.37 0.42 1.28 1.06 0.00 0.00 176.91 181.10 2qam n LEU 109 N -3.64 5.43 -4.94 1.22 4.77 0.08 -5.02 117.00 114.90 2qam n LEU 109 Ca -0.21 0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 56.31 2qam n LEU 109 Cb 1.09 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2qam n LEU 109 CO 0.55 -1.25 0.40 -2.16 -1.33 0.00 0.00 177.39 173.60 2qam s PRO 110 N -3.38 3.00 0.00 3.23 0.04 -1.26 -4.95 135.00 131.68 2qam s PRO 110 Ca 0.80 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2qam s PRO 110 Cb -0.37 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2qam s PRO 110 CO 0.43 -0.47 0.00 1.63 0.04 0.00 0.00 177.00 178.63 2qam n LYS 111 N -2.31 0.00 0.11 4.56 5.02 -1.26 -3.73 118.16 120.54 2qam n LYS 111 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2qam n LYS 111 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2qam n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qam n GLY 112 N 0.00 -0.21 0.00 0.72 0.00 -1.26 -4.65 105.19 99.79 2qam n GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qam n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qam n PRO 113 N -3.44 0.00 0.22 1.61 -0.04 -1.26 0.78 135.00 132.86 2qam n PRO 113 Ca 0.00 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.86 2qam n PRO 113 Cb 0.00 -1.20 0.50 0.00 -0.04 0.00 0.00 33.50 32.76 2qam n PRO 113 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qam h LEU 114 N 0.00 0.00 0.51 1.53 5.85 -1.94 -1.76 115.31 119.50 2qam h LEU 114 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2qam h LEU 114 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qam h LEU 114 CO 0.00 0.20 -0.24 1.23 -0.34 0.00 0.00 178.44 179.28 2qam h GLY 115 N 0.60 -0.71 1.12 3.75 0.00 -1.62 -2.77 103.07 103.43 2qam h GLY 115 Ca -0.00 0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.72 2qam h GLY 115 CO 0.03 -0.26 0.32 -0.09 0.00 0.00 0.00 176.54 176.54 2qam h ARG 116 N -0.75 0.00 0.00 4.80 9.65 0.39 0.52 114.38 128.99 2qam h ARG 116 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2qam h ARG 116 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2qam h ARG 116 CO 0.11 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.88 2qam h ALA 117 N 1.76 1.00 0.03 2.80 0.00 -1.05 -2.43 119.26 121.38 2qam h ALA 117 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 2qam h ALA 117 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2qam h ALA 117 CO -0.00 0.00 -2.37 -1.33 0.00 0.00 0.00 179.25 175.55 2qam n MET 118 N -2.61 0.67 -0.34 0.00 2.81 0.18 -4.38 117.12 113.46 2qam n MET 118 Ca -0.01 0.18 0.07 0.00 -1.81 0.00 0.00 57.70 56.13 2qam n MET 118 Cb 0.09 -1.56 0.26 0.00 -0.71 0.00 0.00 33.22 31.30 2qam n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qam h PHE 119 N -0.00 1.09 0.00 2.03 3.04 -1.11 0.29 116.94 122.27 2qam h PHE 119 Ca -0.55 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.43 2qam h PHE 119 Cb 1.93 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 40.09 2qam h PHE 119 CO 0.04 0.46 0.25 0.07 -2.02 0.00 0.00 178.31 177.10 2qam h ARG 120 N 0.97 0.00 -0.01 1.11 0.11 -1.67 -0.48 114.38 114.41 2qam h ARG 120 Ca 0.47 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.50 2qam h ARG 120 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2qam h ARG 120 CO -0.23 0.00 -0.18 0.87 0.10 0.00 0.00 179.97 180.53 2qam h LYS 121 N 0.00 0.13 -6.75 0.08 1.57 -1.17 -3.45 116.57 106.98 2qam h LYS 121 Ca 0.00 -0.13 -0.52 0.00 -1.87 0.00 0.00 60.65 58.12 2qam h LYS 121 Cb 0.49 0.04 0.05 0.00 0.08 0.00 0.00 32.23 32.89 2qam h LYS 121 CO 0.00 0.86 0.69 -1.17 -0.57 0.00 0.00 179.45 179.27 2qam s LEU 122 N -8.60 4.41 0.00 2.94 0.20 -0.19 -4.72 118.68 112.72 2qam s LEU 122 Ca -0.16 2.58 0.00 0.00 0.69 0.00 0.00 54.13 57.24 2qam s LEU 122 Cb 0.01 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2qam s LEU 122 CO 0.73 -0.60 0.00 0.29 -0.29 0.00 0.00 176.35 176.48 2qam n LYS 123 N 2.08 3.53 0.00 1.98 4.01 -1.24 -4.99 118.16 123.54 2qam n LYS 123 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 2qam n LYS 123 Cb 0.41 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 2qam n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qam n VAL 124 N 0.00 0.00 -0.22 -0.18 0.24 -1.26 -4.02 118.33 112.90 2qam n VAL 124 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2qam n VAL 124 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2qam n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qam n TYR 125 N -0.50 -0.58 0.06 6.34 4.01 -1.26 -3.45 117.16 121.77 2qam n TYR 125 Ca 0.00 0.32 -0.11 0.00 -0.16 0.00 0.00 57.90 57.95 2qam n TYR 125 Cb 0.00 -0.53 -0.08 0.00 -0.31 0.00 0.00 39.34 38.42 2qam n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qam h ALA 126 N -0.21 -0.22 0.00 -0.72 0.00 -1.77 -3.41 119.26 112.92 2qam h ALA 126 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qam h ALA 126 Cb 0.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qam h ALA 126 CO 0.01 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2qam n GLY 127 N 0.55 3.05 2.12 0.00 0.00 -1.23 -3.84 105.19 105.84 2qam n GLY 127 Ca -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2qam n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qam n ASN 128 N 0.00 -2.75 -3.54 1.61 3.02 -1.26 -4.85 115.26 107.48 2qam n ASN 128 Ca 0.00 0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 2qam n ASN 128 Cb 0.00 -1.67 -0.04 0.00 -0.61 0.00 0.00 39.78 37.46 2qam n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2qam s GLU 129 N -3.69 0.75 -0.30 3.52 4.04 -1.26 -5.12 118.70 116.63 2qam s GLU 129 Ca 0.00 -0.03 -0.16 0.00 0.04 0.00 0.00 54.97 54.82 2qam s GLU 129 Cb 0.00 0.35 0.17 0.00 0.02 0.00 0.00 34.13 34.67 2qam s GLU 129 CO 0.00 -0.28 1.06 -3.38 -1.84 0.00 0.00 175.26 170.82 2qam s HIS 130 N -1.98 -0.54 -1.24 4.83 -3.43 -1.26 -4.76 115.29 106.91 2qam s HIS 130 Ca 0.00 0.94 0.09 0.00 -0.80 0.00 0.00 55.06 55.29 2qam s HIS 130 Cb -0.01 0.32 0.44 0.00 -1.43 0.00 0.00 32.58 31.91 2qam s HIS 130 CO -0.02 -0.27 1.23 0.09 -2.00 0.00 0.00 174.74 173.78 2qam n ASN 131 N 4.85 0.00 -0.51 7.38 3.02 -1.26 -2.75 115.26 126.00 2qam n ASN 131 Ca -0.09 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2qam n ASN 131 Cb 0.53 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2qam n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qam n HIS 132 N -1.38 0.00 -0.13 3.10 8.25 -1.26 -4.10 115.22 119.70 2qam n HIS 132 Ca 0.03 -0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 2qam n HIS 132 Cb 0.09 -0.09 0.42 0.00 1.12 0.00 0.00 29.99 31.52 2qam n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qam h ALA 133 N 1.87 1.82 0.00 -1.41 0.00 -1.97 -1.55 119.26 118.03 2qam h ALA 133 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qam h ALA 133 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qam h ALA 133 CO 0.00 0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.32 2qam n ALA 134 N -2.48 1.06 1.03 0.00 0.00 -1.26 -0.93 120.51 117.94 2qam n ALA 134 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2qam n ALA 134 Cb 0.27 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.79 2qam n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qam n GLN 135 N -1.37 0.50 -3.77 0.00 3.00 -0.58 -5.01 117.38 110.15 2qam n GLN 135 Ca 0.00 -0.39 -0.35 0.00 -0.01 0.00 0.00 57.00 56.25 2qam n GLN 135 Cb 0.01 -1.49 0.04 0.00 0.00 0.00 0.00 30.24 28.80 2qam n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qam n GLN 136 N -0.91 -0.99 -2.53 -1.09 6.02 -0.11 -4.88 117.38 112.89 2qam n GLN 136 Ca 0.07 0.39 -0.41 0.00 -0.01 0.00 0.00 57.00 57.04 2qam n GLN 136 Cb 0.38 -3.73 -0.04 0.00 1.02 0.00 0.00 30.24 27.87 2qam n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qam s PRO 137 N -6.25 4.61 -0.14 -1.09 0.02 -1.26 -4.95 135.00 125.94 2qam s PRO 137 Ca 0.47 1.70 -0.24 0.00 0.02 0.00 0.00 61.00 62.95 2qam s PRO 137 Cb -0.19 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 2qam s PRO 137 CO 0.89 0.10 0.76 1.14 -0.33 0.00 0.00 177.00 179.56 2qam s GLN 138 N -0.43 4.33 0.48 5.54 -2.07 -1.23 -4.52 119.66 121.76 2qam s GLN 138 Ca 0.49 0.92 -0.19 0.00 -1.82 0.00 0.00 55.36 54.76 2qam s GLN 138 Cb -0.29 -3.53 -0.13 0.00 -1.09 0.00 0.00 33.01 27.96 2qam s GLN 138 CO 0.35 -0.19 0.16 1.33 -1.32 0.00 0.00 175.29 175.62 2qam n VAL 139 N 4.41 0.89 -4.58 3.63 0.24 -1.26 -3.49 118.33 118.18 2qam n VAL 139 Ca 0.02 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.55 2qam n VAL 139 Cb 0.50 -0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.48 2qam n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qam s LEU 140 N 3.47 1.71 -0.54 1.34 0.20 -1.05 -4.82 118.68 118.99 2qam s LEU 140 Ca 0.61 -0.39 -0.27 0.00 0.69 0.00 0.00 54.13 54.78 2qam s LEU 140 Cb -0.53 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 2qam s LEU 140 CO 0.62 0.03 1.93 -0.62 -0.29 0.00 0.00 176.35 178.02 2qam s ASP 141 N 0.81 5.27 0.00 3.68 -1.08 -1.26 -4.75 116.67 119.34 2qam s ASP 141 Ca -0.11 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 2qam s ASP 141 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2qam s ASP 141 CO 0.02 -2.32 0.00 -0.38 0.52 0.00 0.00 175.17 173.00