#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b s LYS 2 N 0.00 3.97 0.02 2.12 3.01 -1.26 -5.04 119.74 122.56 3e1b s LYS 2 Ca 0.00 0.47 0.22 0.00 -1.01 0.00 0.00 55.97 55.66 3e1b s LYS 2 Cb 0.00 -2.94 -0.20 0.00 -1.01 0.00 0.00 37.83 33.68 3e1b s LYS 2 CO 0.00 0.49 0.74 0.25 0.51 0.00 0.00 175.35 177.34 3e1b n THR 3 N 0.83 0.11 -2.01 2.17 -2.24 -1.26 -5.01 114.28 106.87 3e1b n THR 3 Ca -0.06 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3e1b n THR 3 Cb 0.52 0.18 0.16 0.00 -2.10 0.00 0.00 70.33 69.09 3e1b n THR 3 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3e1b s PHE 4 N -3.34 1.85 -0.18 4.78 5.36 -1.26 -5.06 117.98 120.13 3e1b s PHE 4 Ca -0.02 0.32 0.15 0.00 -0.96 0.00 0.00 56.93 56.42 3e1b s PHE 4 Cb 0.14 -3.87 0.44 0.00 -0.34 0.00 0.00 43.02 39.39 3e1b s PHE 4 CO 0.87 -2.37 1.19 0.25 -1.46 0.00 0.00 175.22 173.70 3e1b n THR 5 N -3.56 1.68 -1.77 0.12 -2.24 -1.26 -5.07 114.28 102.18 3e1b n THR 5 Ca 0.14 -2.87 -0.42 0.00 -2.27 0.00 0.00 64.05 58.63 3e1b n THR 5 Cb 0.60 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 3e1b n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1b s ALA 6 N -2.59 3.80 -0.05 6.98 0.00 -1.26 -2.88 121.76 125.76 3e1b s ALA 6 Ca 0.38 1.57 -0.08 0.00 0.00 0.00 0.00 51.96 53.84 3e1b s ALA 6 Cb 0.38 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3e1b s ALA 6 CO -0.07 -0.96 0.35 0.87 0.00 0.00 0.00 175.76 175.94 3e1b h LYS 7 N 5.42 -0.27 0.00 0.00 1.57 -2.02 -3.49 116.57 117.79 3e1b h LYS 7 Ca -0.46 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 3e1b h LYS 7 Cb 1.21 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3e1b h LYS 7 CO 0.84 -0.18 -2.01 -0.35 -0.57 0.00 0.00 179.45 177.19 3e1b n PRO 8 N -4.55 0.66 -2.81 3.15 -0.04 -1.14 -4.87 135.00 125.41 3e1b n PRO 8 Ca -0.03 -0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 3e1b n PRO 8 Cb 0.11 -1.56 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 3e1b n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3e1b n GLU 9 N -2.45 -1.26 0.00 0.54 4.07 -1.26 -4.58 120.64 115.70 3e1b n GLU 9 Ca -0.12 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 57.86 3e1b n GLU 9 Cb 0.74 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.76 3e1b n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3e1b n THR 10 N -0.42 0.00 0.00 6.31 -2.24 -1.26 -5.10 114.28 111.57 3e1b n THR 10 Ca -0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3e1b n THR 10 Cb 0.47 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3e1b n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3e1b n VAL 11 N -0.02 0.00 -3.38 2.28 3.14 -1.26 -4.69 118.33 114.40 3e1b n VAL 11 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 3e1b n VAL 11 Cb 0.05 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.74 3e1b n VAL 11 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3e1b s LYS 12 N 0.00 0.32 0.00 1.45 2.20 -1.26 -5.01 119.74 117.43 3e1b s LYS 12 Ca 0.00 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 3e1b s LYS 12 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 3e1b s LYS 12 CO 0.00 -0.71 0.00 0.54 -0.36 0.00 0.00 175.35 174.82 3e1b n ARG 13 N 5.35 4.78 -3.33 4.03 1.74 -1.26 -4.77 116.66 123.19 3e1b n ARG 13 Ca -0.04 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.82 3e1b n ARG 13 Cb 0.50 -0.47 0.02 0.00 -1.02 0.00 0.00 32.46 31.49 3e1b n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3e1b n ASP 14 N -0.84 -6.11 -2.17 0.55 8.00 -1.26 -1.78 116.55 112.94 3e1b n ASP 14 Ca 0.00 0.14 -0.06 0.00 0.71 0.00 0.00 54.79 55.58 3e1b n ASP 14 Cb 0.00 -1.96 -0.08 0.00 -0.02 0.00 0.00 41.12 39.06 3e1b n ASP 14 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3e1b n TRP 15 N 0.37 0.00 -3.14 1.24 8.01 -1.24 -4.16 117.44 118.52 3e1b n TRP 15 Ca -0.04 -0.78 -0.40 0.00 -1.31 0.00 0.00 57.50 54.98 3e1b n TRP 15 Cb 0.58 -0.97 -0.06 0.00 -2.01 0.00 0.00 31.31 28.86 3e1b n TRP 15 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3e1b s TYR 16 N 1.79 3.44 -0.37 -5.99 1.51 -1.26 -1.81 117.35 114.66 3e1b s TYR 16 Ca 0.32 0.99 -0.29 0.00 -1.01 0.00 0.00 57.07 57.07 3e1b s TYR 16 Cb 0.15 -2.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3e1b s TYR 16 CO 0.00 -0.06 1.27 0.08 -1.11 0.00 0.00 175.55 175.73 3e1b s VAL 17 N 1.46 4.13 -1.33 0.71 1.01 0.58 -0.79 120.40 126.17 3e1b s VAL 17 Ca 0.30 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 3e1b s VAL 17 Cb -0.16 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.95 3e1b s VAL 17 CO 0.12 -0.67 2.01 1.33 0.00 0.00 0.00 175.10 177.88 3e1b n VAL 18 N 6.56 3.41 0.27 2.92 0.24 -1.10 -4.73 118.33 125.90 3e1b n VAL 18 Ca 0.14 -3.24 0.15 0.00 -2.04 0.00 0.00 64.34 59.36 3e1b n VAL 18 Cb 0.48 -2.46 0.80 0.00 -1.47 0.00 0.00 33.84 31.18 3e1b n VAL 18 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3e1b h ASP 19 N 6.96 0.00 0.00 -1.34 3.04 -1.91 -2.43 116.42 120.74 3e1b h ASP 19 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 3e1b h ASP 19 Cb 0.74 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 3e1b h ASP 19 CO 1.70 0.00 0.07 0.00 -2.04 0.00 0.00 179.24 178.97 3e1b n ALA 20 N -1.86 0.94 -1.69 4.15 0.00 -1.26 -4.77 120.51 116.02 3e1b n ALA 20 Ca -0.02 0.17 -0.58 0.00 0.00 0.00 0.00 53.44 53.01 3e1b n ALA 20 Cb 0.21 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 3e1b n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3e1b n THR 21 N -2.16 0.28 0.00 0.00 5.66 -0.92 -3.03 114.28 114.11 3e1b n THR 21 Ca -0.01 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3e1b n THR 21 Cb 0.10 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 3e1b n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3e1b n GLY 22 N 4.45 0.99 0.25 1.09 0.00 -0.89 -4.72 105.19 106.36 3e1b n GLY 22 Ca 0.29 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.61 3e1b n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1b n LYS 23 N 0.00 -0.11 -0.08 1.61 2.85 -1.17 -1.15 118.16 120.11 3e1b n LYS 23 Ca 0.00 1.05 0.02 0.00 -1.05 0.00 0.00 58.31 58.33 3e1b n LYS 23 Cb 0.00 -1.56 0.03 0.00 -0.65 0.00 0.00 35.03 32.85 3e1b n LYS 23 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3e1b n THR 24 N -5.05 0.84 -0.35 0.58 5.66 -1.17 -5.00 114.28 109.80 3e1b n THR 24 Ca 0.09 -0.93 -0.00 0.00 -3.05 0.00 0.00 64.05 60.16 3e1b n THR 24 Cb 0.30 0.45 0.05 0.00 -1.55 0.00 0.00 70.33 69.58 3e1b n THR 24 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3e1b n LEU 25 N -0.53 -0.56 0.00 1.09 -0.00 -0.30 -1.20 117.00 115.49 3e1b n LEU 25 Ca 0.04 1.58 0.00 0.00 -0.00 0.00 0.00 56.01 57.63 3e1b n LEU 25 Cb 0.45 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 3e1b n LEU 25 CO 0.00 -1.43 0.22 0.61 -0.00 0.00 0.00 177.39 176.79 3e1b n GLY 26 N -1.44 0.00 0.10 -3.96 0.00 -1.26 -0.36 105.19 98.26 3e1b n GLY 26 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3e1b n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1b n ARG 27 N -0.94 1.72 0.00 1.61 5.12 -0.34 -4.58 116.66 119.26 3e1b n ARG 27 Ca 0.00 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 3e1b n ARG 27 Cb 0.00 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3e1b n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3e1b n LEU 28 N -1.05 0.00 -0.16 0.55 4.77 -0.14 -4.63 117.00 116.34 3e1b n LEU 28 Ca 0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3e1b n LEU 28 Cb 0.27 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 3e1b n LEU 28 CO 0.29 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.43 3e1b h ALA 29 N 0.00 0.62 0.00 -1.18 0.00 -1.00 0.96 119.26 118.66 3e1b h ALA 29 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3e1b h ALA 29 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3e1b h ALA 29 CO 0.00 0.07 0.39 1.79 0.00 0.00 0.00 179.25 181.51 3e1b h THR 30 N 0.66 0.00 0.00 0.00 1.35 -1.81 -3.16 112.91 109.95 3e1b h THR 30 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3e1b h THR 30 Cb -0.07 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 3e1b h THR 30 CO -0.04 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.61 3e1b n GLU 31 N -2.66 -0.60 -0.31 4.72 -0.58 -0.69 -4.71 120.64 115.81 3e1b n GLU 31 Ca -0.02 -0.43 0.15 0.00 -0.42 0.00 0.00 57.16 56.44 3e1b n GLU 31 Cb 0.43 -0.93 0.31 0.00 -0.57 0.00 0.00 31.44 30.68 3e1b n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3e1b h LEU 32 N 0.00 0.00 0.51 -4.62 5.85 -0.81 0.25 115.31 116.50 3e1b h LEU 32 Ca 0.00 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3e1b h LEU 32 Cb 0.05 0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.36 3e1b h LEU 32 CO 0.00 -0.18 -0.25 0.00 -0.34 0.00 0.00 178.44 177.67 3e1b h ALA 33 N 1.81 -0.69 0.00 1.25 0.00 -1.84 0.75 119.26 120.55 3e1b h ALA 33 Ca 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3e1b h ALA 33 Cb 1.21 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3e1b h ALA 33 CO -0.68 -0.82 0.00 -0.09 0.00 0.00 0.00 179.25 177.65 3e1b h ARG 34 N -0.82 0.00 0.24 0.00 2.43 -1.71 -1.24 114.38 113.29 3e1b h ARG 34 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3e1b h ARG 34 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3e1b h ARG 34 CO 0.12 0.00 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.37 3e1b h ARG 35 N 0.00 -0.31 0.00 0.20 9.65 -0.45 -1.71 114.38 121.76 3e1b h ARG 35 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3e1b h ARG 35 Cb 0.18 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3e1b h ARG 35 CO 0.00 -0.21 0.00 1.47 2.80 0.00 0.00 179.97 184.03 3e1b n LEU 36 N -3.58 0.00 -0.00 3.80 -0.00 0.25 -0.53 117.00 116.94 3e1b n LEU 36 Ca -0.04 0.49 0.06 0.00 -0.00 0.00 0.00 56.01 56.52 3e1b n LEU 36 Cb 0.13 -0.49 -0.08 0.00 -0.00 0.00 0.00 43.42 42.98 3e1b n LEU 36 CO 0.10 -0.48 -0.34 -1.14 -0.00 0.00 0.00 177.39 175.53 3e1b n ARG 37 N -1.49 1.76 0.00 1.47 0.63 -0.52 -4.78 116.66 113.74 3e1b n ARG 37 Ca 0.00 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3e1b n ARG 37 Cb 0.01 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 31.75 3e1b n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3e1b n GLY 38 N 1.55 1.09 2.46 5.14 0.00 0.32 -4.24 105.19 111.51 3e1b n GLY 38 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3e1b n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1b n LYS 39 N 0.00 0.00 0.00 1.61 -0.00 -0.96 -2.96 118.16 115.85 3e1b n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3e1b n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3e1b n LYS 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3e1b n HIS 40 N 0.00 0.00 0.00 5.58 8.25 -1.26 -4.80 115.22 122.99 3e1b n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3e1b n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3e1b n HIS 40 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3e1b n LYS 41 N -2.21 0.00 0.19 -0.41 2.85 -1.16 -3.42 118.16 114.00 3e1b n LYS 41 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 3e1b n LYS 41 Cb 0.00 -0.99 0.60 0.00 -0.65 0.00 0.00 35.03 33.99 3e1b n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1b h ALA 42 N 0.95 1.00 0.00 0.58 0.00 -1.74 -3.21 119.26 116.84 3e1b h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e1b h ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3e1b h ALA 42 CO 0.00 0.00 0.15 1.05 0.00 0.00 0.00 179.25 180.45 3e1b h GLU 43 N 0.00 0.00 0.00 0.00 4.11 -1.91 -3.40 114.58 113.38 3e1b h GLU 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3e1b h GLU 43 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3e1b h GLU 43 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 3e1b n TYR 44 N -2.62 0.00 -3.21 2.06 4.01 -1.21 -5.02 117.16 111.16 3e1b n TYR 44 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 3e1b n TYR 44 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 3e1b n TYR 44 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3e1b n THR 45 N -0.93 -0.11 0.29 -0.72 -1.04 -1.26 -4.73 114.28 105.78 3e1b n THR 45 Ca 0.00 -4.33 0.00 0.00 -2.04 0.00 0.00 64.05 57.68 3e1b n THR 45 Cb 0.00 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3e1b n THR 45 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3e1b n PRO 46 N 1.04 0.89 0.00 -2.82 -0.04 -1.26 -2.84 135.00 129.97 3e1b n PRO 46 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3e1b n PRO 46 Cb 0.54 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 3e1b n PRO 46 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3e1b n HIS 47 N 1.00 0.00 -3.85 0.54 -0.00 -1.26 -4.92 115.22 106.74 3e1b n HIS 47 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3e1b n HIS 47 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.31 3e1b n HIS 47 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3e1b s VAL 48 N 0.00 0.02 0.00 3.57 1.01 -1.13 -4.99 120.40 118.88 3e1b s VAL 48 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3e1b s VAL 48 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.16 3e1b s VAL 48 CO 0.00 -0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.33 3e1b n ASP 49 N 2.65 0.00 -3.65 3.32 -0.08 -1.26 -4.80 116.55 112.74 3e1b n ASP 49 Ca -0.15 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.87 3e1b n ASP 49 Cb 0.58 -0.80 0.19 0.00 2.34 0.00 0.00 41.12 43.43 3e1b n ASP 49 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 3e1b n THR 50 N -0.56 0.00 -4.30 5.18 5.66 -1.26 -4.79 114.28 114.21 3e1b n THR 50 Ca 0.00 -0.79 -0.16 0.00 -3.05 0.00 0.00 64.05 60.05 3e1b n THR 50 Cb 0.00 -1.50 -0.10 0.00 -1.55 0.00 0.00 70.33 67.18 3e1b n THR 50 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3e1b s GLY 51 N -5.35 1.44 -0.08 1.09 0.00 -1.26 -5.01 107.32 98.14 3e1b s GLY 51 Ca 0.66 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 3e1b s GLY 51 CO 0.47 -1.63 0.66 -0.35 0.00 0.00 0.00 173.10 172.26 3e1b s ASP 52 N -3.26 -0.65 -0.44 1.64 2.15 -1.26 -4.66 116.67 110.19 3e1b s ASP 52 Ca 0.26 0.79 0.05 0.00 0.43 0.00 0.00 52.55 54.08 3e1b s ASP 52 Cb 0.05 0.66 0.17 0.00 -0.30 0.00 0.00 42.92 43.51 3e1b s ASP 52 CO 0.07 -0.55 0.49 -0.47 -0.17 0.00 0.00 175.17 174.54 3e1b s TYR 53 N -0.97 -0.14 0.81 -5.34 6.04 -0.73 -4.47 117.35 112.55 3e1b s TYR 53 Ca -0.10 -1.42 -0.12 0.00 0.04 0.00 0.00 57.07 55.48 3e1b s TYR 53 Cb -0.01 -0.38 0.09 0.00 -1.04 0.00 0.00 41.96 40.62 3e1b s TYR 53 CO 0.08 -1.02 1.16 0.96 -1.54 0.00 0.00 175.55 175.19 3e1b s ILE 54 N 0.61 2.41 -0.70 3.14 -5.25 -1.26 -3.70 121.20 116.45 3e1b s ILE 54 Ca 0.29 0.16 -0.08 0.00 -0.99 0.00 0.00 60.65 60.03 3e1b s ILE 54 Cb -0.01 -2.48 0.18 0.00 2.95 0.00 0.00 42.46 43.10 3e1b s ILE 54 CO -0.11 -0.15 0.57 -0.63 -1.79 0.00 0.00 174.94 172.82 3e1b s ILE 55 N -2.44 4.49 0.82 8.37 -1.09 0.03 -4.75 121.20 126.63 3e1b s ILE 55 Ca 0.69 -2.71 -0.14 0.00 -2.23 0.00 0.00 60.65 56.26 3e1b s ILE 55 Cb -0.24 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3e1b s ILE 55 CO 0.52 -0.93 0.93 0.52 -1.23 0.00 0.00 174.94 174.75 3e1b n VAL 56 N 3.74 1.60 0.00 2.92 0.31 -1.26 -2.71 118.33 122.93 3e1b n VAL 56 Ca 0.09 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3e1b n VAL 56 Cb 0.41 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3e1b n VAL 56 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3e1b n LEU 57 N -2.35 0.00 -4.05 7.52 7.94 -1.26 -4.89 117.00 119.90 3e1b n LEU 57 Ca 0.12 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.94 3e1b n LEU 57 Cb 0.51 0.07 -0.09 0.00 0.53 0.00 0.00 43.42 44.43 3e1b n LEU 57 CO 0.49 -0.33 -0.29 0.20 -1.11 0.00 0.00 177.39 176.35 3e1b s ASN 58 N -3.76 0.39 0.01 1.96 -0.87 -1.26 -0.54 114.94 110.87 3e1b s ASN 58 Ca 0.00 -0.95 -0.05 0.00 -1.57 0.00 0.00 52.86 50.28 3e1b s ASN 58 Cb 0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 41.45 3e1b s ASN 58 CO 0.00 -0.65 -0.11 0.00 -2.57 0.00 0.00 177.10 173.78 3e1b n ALA 59 N 0.05 2.35 0.29 0.60 0.00 -1.26 -4.90 120.51 117.64 3e1b n ALA 59 Ca -0.13 -0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.17 3e1b n ALA 59 Cb 0.62 0.19 0.53 0.00 0.00 0.00 0.00 19.45 20.79 3e1b n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3e1b n ASP 60 N -3.78 0.62 -3.75 0.00 5.75 -1.26 -3.69 116.55 110.44 3e1b n ASP 60 Ca -0.05 0.71 -0.42 0.00 -0.01 0.00 0.00 54.79 55.02 3e1b n ASP 60 Cb 0.18 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 3e1b n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3e1b n LYS 61 N -2.24 3.27 0.00 0.11 5.02 -1.26 -4.74 118.16 118.32 3e1b n LYS 61 Ca 0.00 -2.99 0.08 0.00 -2.02 0.00 0.00 58.31 53.38 3e1b n LYS 61 Cb 0.14 -3.09 0.37 0.00 -0.02 0.00 0.00 35.03 32.42 3e1b n LYS 61 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3e1b n VAL 62 N 4.17 0.81 0.00 -0.18 0.24 -1.24 -2.10 118.33 120.02 3e1b n VAL 62 Ca 0.49 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.99 3e1b n VAL 62 Cb 0.37 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 3e1b n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1b n ALA 63 N -1.48 0.00 0.00 2.33 0.00 -1.26 -4.60 120.51 115.49 3e1b n ALA 63 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3e1b n ALA 63 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3e1b n ALA 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3e1b n VAL 64 N 0.00 0.00 -3.47 0.00 3.14 -1.26 -4.78 118.33 111.96 3e1b n VAL 64 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 3e1b n VAL 64 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 3e1b n VAL 64 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3e1b n THR 65 N -1.30 -4.06 0.00 1.55 -2.24 -1.26 -4.97 114.28 102.00 3e1b n THR 65 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3e1b n THR 65 Cb 0.00 -3.65 0.00 0.00 -2.10 0.00 0.00 70.33 64.58 3e1b n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1b n GLY 66 N -0.09 2.28 0.50 3.38 0.00 -1.26 -4.99 105.19 105.01 3e1b n GLY 66 Ca -0.07 -1.00 0.31 0.00 0.00 0.00 0.00 46.02 45.26 3e1b n GLY 66 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3e1b h ASN 67 N 0.00 0.00 -0.84 1.61 -0.00 -2.02 -1.16 115.58 113.17 3e1b h ASN 67 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.30 56.42 3e1b h ASN 67 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.19 3e1b h ASN 67 CO 0.00 0.00 -0.36 2.29 -0.00 0.00 0.00 177.43 179.36 3e1b n LYS 68 N -3.88 -0.23 0.05 6.67 2.85 -1.26 -3.31 118.16 119.04 3e1b n LYS 68 Ca 0.21 1.29 0.04 0.00 -1.05 0.00 0.00 58.31 58.79 3e1b n LYS 68 Cb 1.15 -1.91 0.18 0.00 -0.65 0.00 0.00 35.03 33.80 3e1b n LYS 68 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3e1b n ARG 69 N -5.20 0.04 -0.02 -1.58 0.63 -0.44 -1.10 116.66 108.99 3e1b n ARG 69 Ca 0.07 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 3e1b n ARG 69 Cb 0.31 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.59 3e1b n ARG 69 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3e1b n THR 70 N -1.72 0.48 -0.52 5.15 -2.24 -1.21 -2.23 114.28 111.99 3e1b n THR 70 Ca -0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3e1b n THR 70 Cb 0.02 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3e1b n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3e1b n ASP 71 N -0.26 0.00 -4.56 3.42 5.75 -0.70 -4.97 116.55 115.23 3e1b n ASP 71 Ca 0.01 -0.30 -0.22 0.00 -0.01 0.00 0.00 54.79 54.26 3e1b n ASP 71 Cb 0.41 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 3e1b n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3e1b s LYS 72 N 0.00 2.20 0.40 0.11 2.47 -0.26 -4.98 119.74 119.68 3e1b s LYS 72 Ca 0.00 -0.18 -0.20 0.00 -1.56 0.00 0.00 55.97 54.02 3e1b s LYS 72 Cb 0.00 -5.00 -0.15 0.00 -1.46 0.00 0.00 37.83 31.22 3e1b s LYS 72 CO 0.00 -3.87 0.07 0.28 0.16 0.00 0.00 175.35 171.99 3e1b n VAL 73 N 8.19 0.59 -4.53 4.02 0.31 -1.26 -3.78 118.33 121.88 3e1b n VAL 73 Ca 0.43 -0.49 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 3e1b n VAL 73 Cb 0.46 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.24 3e1b n VAL 73 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3e1b s TYR 74 N -1.65 2.82 0.21 3.52 2.02 -1.25 -5.00 117.35 118.02 3e1b s TYR 74 Ca 0.57 -0.87 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 3e1b s TYR 74 Cb -0.61 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 3e1b s TYR 74 CO 0.61 -0.38 -0.06 1.52 -1.57 0.00 0.00 175.55 175.66 3e1b s TYR 75 N 0.73 2.66 0.00 2.71 1.13 -1.26 -4.64 117.35 118.67 3e1b s TYR 75 Ca -0.06 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 3e1b s TYR 75 Cb -0.15 -1.25 0.00 0.00 -1.10 0.00 0.00 41.96 39.45 3e1b s TYR 75 CO 0.01 0.55 0.00 0.72 -2.51 0.00 0.00 175.55 174.33 3e1b n HIS 76 N -0.28 -0.33 -4.37 -3.49 8.25 -1.26 -5.07 115.22 108.67 3e1b n HIS 76 Ca -0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 3e1b n HIS 76 Cb 0.57 0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.93 3e1b n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3e1b n HIS 77 N -2.13 -1.43 0.33 4.41 8.25 -1.26 -4.77 115.22 118.63 3e1b n HIS 77 Ca 0.00 0.73 0.09 0.00 -0.26 0.00 0.00 57.72 58.28 3e1b n HIS 77 Cb 0.00 -2.46 0.48 0.00 1.12 0.00 0.00 29.99 29.13 3e1b n HIS 77 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3e1b h THR 78 N -1.25 0.00 0.00 1.59 1.35 -1.97 -3.17 112.91 109.46 3e1b h THR 78 Ca -0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3e1b h THR 78 Cb 1.39 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3e1b h THR 78 CO 0.82 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3e1b n GLY 79 N -1.34 0.47 3.07 5.82 0.00 -1.26 -4.94 105.19 107.01 3e1b n GLY 79 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3e1b n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3e1b n HIS 80 N 0.00 3.91 -0.91 1.61 8.25 -1.26 -4.55 115.22 122.27 3e1b n HIS 80 Ca 0.00 -2.95 -0.03 0.00 -0.26 0.00 0.00 57.72 54.48 3e1b n HIS 80 Cb 0.00 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 28.66 3e1b n HIS 80 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3e1b n ILE 81 N 5.11 0.00 0.00 1.59 -0.00 -1.26 -4.10 119.36 120.70 3e1b n ILE 81 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.22 3e1b n ILE 81 Cb 0.41 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 3e1b n ILE 81 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3e1b n GLY 82 N -0.01 1.03 5.54 3.28 0.00 -1.20 -4.86 105.19 108.96 3e1b n GLY 82 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3e1b n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 83 N 0.00 1.38 3.76 -0.02 0.00 -1.26 -4.72 105.19 104.33 3e1b n GLY 83 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 3e1b n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3e1b s ILE 84 N 0.00 3.35 0.34 -0.61 -5.25 -1.26 -5.03 121.20 112.73 3e1b s ILE 84 Ca 0.00 1.31 0.09 0.00 -0.99 0.00 0.00 60.65 61.06 3e1b s ILE 84 Cb 0.00 -3.84 -0.05 0.00 2.95 0.00 0.00 42.46 41.52 3e1b s ILE 84 CO 0.00 0.30 0.00 -0.54 -1.79 0.00 0.00 174.94 172.91 3e1b s LYS 85 N -1.30 2.06 -0.04 0.37 1.02 -1.26 -5.05 119.74 115.54 3e1b s LYS 85 Ca 0.47 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.73 3e1b s LYS 85 Cb -0.34 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3e1b s LYS 85 CO 0.43 0.14 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.25 3e1b s GLN 86 N -3.71 1.16 0.00 1.68 -0.21 -1.26 -5.05 119.66 112.26 3e1b s GLN 86 Ca 0.35 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.40 3e1b s GLN 86 Cb -0.00 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.96 3e1b s GLN 86 CO 0.19 0.09 0.42 0.00 -2.12 0.00 0.00 175.29 173.87 3e1b n ALA 87 N 3.46 1.12 -1.98 6.09 0.00 -1.26 -4.72 120.51 123.22 3e1b n ALA 87 Ca -0.20 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 3e1b n ALA 87 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3e1b n ALA 87 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3e1b s THR 88 N 0.00 2.80 0.78 0.00 -1.32 -1.26 -4.66 115.64 111.98 3e1b s THR 88 Ca 0.00 0.59 -0.07 0.00 -1.21 0.00 0.00 61.69 61.00 3e1b s THR 88 Cb 0.00 -3.38 0.12 0.00 -1.51 0.00 0.00 72.50 67.74 3e1b s THR 88 CO 0.00 0.06 1.09 -0.36 -2.21 0.00 0.00 174.62 173.20 3e1b s PHE 89 N 0.91 2.06 0.15 9.09 0.08 -1.26 -3.87 117.98 125.15 3e1b s PHE 89 Ca 0.67 0.15 -0.12 0.00 0.12 0.00 0.00 56.93 57.74 3e1b s PHE 89 Cb -0.42 -3.39 0.03 0.00 -0.57 0.00 0.00 43.02 38.67 3e1b s PHE 89 CO 0.33 -1.87 1.61 0.93 -0.10 0.00 0.00 175.22 176.12 3e1b h GLU 90 N -0.87 0.89 0.00 0.44 5.08 -1.54 0.92 114.58 119.50 3e1b h GLU 90 Ca -0.42 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 3e1b h GLU 90 Cb 1.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3e1b h GLU 90 CO 0.47 0.92 0.00 1.05 -1.00 0.00 0.00 179.01 180.44 3e1b h GLU 91 N 0.76 0.00 0.05 2.33 4.11 -1.85 -2.03 114.58 117.94 3e1b h GLU 91 Ca 0.15 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.23 3e1b h GLU 91 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3e1b h GLU 91 CO 0.02 0.00 -2.06 -0.12 0.07 0.00 0.00 179.01 176.93 3e1b n MET 92 N -2.73 0.69 -0.10 1.06 1.56 -0.09 -4.05 117.12 113.46 3e1b n MET 92 Ca 0.01 0.21 -0.11 0.00 -0.27 0.00 0.00 57.70 57.55 3e1b n MET 92 Cb 0.28 -1.67 -0.03 0.00 2.15 0.00 0.00 33.22 33.94 3e1b n MET 92 CO 0.00 0.00 0.00 0.97 -0.73 0.00 0.00 175.97 176.21 3e1b h ILE 93 N 0.03 1.24 0.00 1.12 2.10 -1.05 -3.35 117.51 117.60 3e1b h ILE 93 Ca -0.43 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 64.67 3e1b h ILE 93 Cb 2.04 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 3e1b h ILE 93 CO 0.04 0.27 0.23 0.00 -1.08 0.00 0.00 178.15 177.62 3e1b h ALA 94 N 0.87 1.22 0.00 0.18 0.00 -1.50 -1.95 119.26 118.07 3e1b h ALA 94 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3e1b h ALA 94 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3e1b h ALA 94 CO 0.01 -0.22 0.40 0.54 0.00 0.00 0.00 179.25 179.97 3e1b n ARG 95 N -2.85 0.01 -4.07 0.00 5.12 -1.26 -3.90 116.66 109.71 3e1b n ARG 95 Ca -0.02 0.17 -0.18 0.00 -1.93 0.00 0.00 57.85 55.89 3e1b n ARG 95 Cb 0.28 -1.91 -0.16 0.00 -1.16 0.00 0.00 32.46 29.51 3e1b n ARG 95 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3e1b s ARG 96 N -2.35 0.54 0.01 5.56 3.52 -0.74 -5.01 118.95 120.49 3e1b s ARG 96 Ca -0.00 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 3e1b s ARG 96 Cb 0.00 -0.61 -0.07 0.00 -1.56 0.00 0.00 34.95 32.71 3e1b s ARG 96 CO 0.01 -0.07 1.71 -1.25 -0.81 0.00 0.00 175.30 174.89 3e1b s PRO 97 N 0.78 4.18 0.00 5.12 0.04 -1.25 -4.90 135.00 138.97 3e1b s PRO 97 Ca -0.09 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3e1b s PRO 97 Cb -0.12 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.54 3e1b s PRO 97 CO -0.01 -0.83 0.00 -1.91 0.04 0.00 0.00 177.00 174.30 3e1b n GLU 98 N 6.65 0.00 0.00 4.56 2.13 -1.26 -5.09 120.64 127.63 3e1b n GLU 98 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 3e1b n GLU 98 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 3e1b n GLU 98 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3e1b n ARG 99 N -1.89 0.00 0.00 5.31 0.63 -1.26 -5.06 116.66 114.39 3e1b n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3e1b n ARG 99 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3e1b n ARG 99 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3e1b n VAL 100 N 0.00 0.00 -0.00 5.15 3.14 -1.26 -4.94 118.33 120.42 3e1b n VAL 100 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3e1b n VAL 100 Cb 0.02 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3e1b n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b n ILE 101 N 0.00 0.18 0.00 1.55 0.13 -1.26 -4.80 119.36 115.16 3e1b n ILE 101 Ca 0.00 -0.59 0.00 0.00 -1.10 0.00 0.00 62.75 61.06 3e1b n ILE 101 Cb 0.00 0.91 0.00 0.00 -0.84 0.00 0.00 39.64 39.71 3e1b n ILE 101 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3e1b n GLU 102 N -0.09 1.35 0.09 9.51 0.00 -1.26 -4.85 120.64 125.39 3e1b n GLU 102 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 3e1b n GLU 102 Cb 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 31.44 30.54 3e1b n GLU 102 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 3e1b h ILE 103 N 0.00 1.55 0.00 3.84 6.09 -1.92 -3.48 117.51 123.59 3e1b h ILE 103 Ca 0.00 -3.00 0.00 0.00 -1.37 0.00 0.00 64.86 60.49 3e1b h ILE 103 Cb 0.72 2.76 0.00 0.00 0.47 0.00 0.00 36.82 40.77 3e1b h ILE 103 CO 0.00 0.87 0.00 0.00 -3.07 0.00 0.00 178.15 175.95 3e1b n ALA 104 N -2.47 0.00 -0.13 0.18 0.00 -1.26 -4.59 120.51 112.24 3e1b n ALA 104 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3e1b n ALA 104 Cb 0.93 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.86 3e1b n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1b h VAL 105 N 0.00 0.87 -0.99 0.00 2.07 -1.93 -0.57 116.25 115.70 3e1b h VAL 105 Ca 0.00 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 67.60 3e1b h VAL 105 Cb 0.00 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 3e1b h VAL 105 CO 0.00 0.08 0.65 0.50 0.02 0.00 0.00 177.57 178.82 3e1b h LYS 106 N 0.46 0.38 0.00 1.57 1.63 -1.90 0.78 116.57 119.49 3e1b h LYS 106 Ca 0.32 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3e1b h LYS 106 Cb 0.64 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 3e1b h LYS 106 CO -0.10 0.25 -0.15 0.41 -3.45 0.00 0.00 179.45 176.42 3e1b n GLY 107 N -1.50 -1.45 0.00 5.01 0.00 -0.23 -4.44 105.19 102.58 3e1b n GLY 107 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3e1b n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3e1b n MET 108 N -1.56 3.14 -2.96 1.61 2.81 0.10 -4.70 117.12 115.55 3e1b n MET 108 Ca 0.06 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.70 3e1b n MET 108 Cb 0.35 -0.61 -0.04 0.00 -0.71 0.00 0.00 33.22 32.21 3e1b n MET 108 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3e1b n LEU 109 N -0.68 4.03 0.10 4.03 4.77 -0.22 -5.00 117.00 124.03 3e1b n LEU 109 Ca 0.00 -5.59 -0.16 0.00 -0.03 0.00 0.00 56.01 50.23 3e1b n LEU 109 Cb 0.00 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3e1b n LEU 109 CO 0.00 2.35 -0.02 1.55 -1.33 0.00 0.00 177.39 179.94 3e1b h PRO 110 N 2.98 0.31 0.00 3.23 0.13 -1.79 -2.32 132.00 134.53 3e1b h PRO 110 Ca 0.13 -0.49 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 3e1b h PRO 110 Cb 0.57 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3e1b h PRO 110 CO 0.78 1.21 -0.40 0.87 -0.23 0.00 0.00 178.00 180.23 3e1b h LYS 111 N 0.10 0.00 0.00 0.86 1.57 -1.96 -3.49 116.57 113.65 3e1b h LYS 111 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3e1b h LYS 111 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 3e1b h LYS 111 CO 0.20 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 3e1b n GLY 112 N -0.19 0.99 3.59 3.86 0.00 -0.87 -5.11 105.19 107.46 3e1b n GLY 112 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3e1b n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1b n PRO 113 N -0.02 0.55 0.00 1.61 -0.02 -1.26 -1.66 135.00 134.20 3e1b n PRO 113 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3e1b n PRO 113 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3e1b n PRO 113 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3e1b n LEU 114 N -1.32 0.00 0.00 2.45 7.94 -1.26 -4.67 117.00 120.15 3e1b n LEU 114 Ca 0.13 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.14 3e1b n LEU 114 Cb 0.49 0.00 0.66 0.00 0.53 0.00 0.00 43.42 45.10 3e1b n LEU 114 CO 0.49 0.00 0.86 0.61 -1.11 0.00 0.00 177.39 178.24 3e1b n GLY 115 N 0.00 -0.78 0.00 -3.96 0.00 -0.67 -4.69 105.19 95.09 3e1b n GLY 115 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.98 3e1b n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3e1b n ARG 116 N -0.94 0.75 0.00 1.61 1.85 -0.81 -4.08 116.66 115.04 3e1b n ARG 116 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 3e1b n ARG 116 Cb 0.08 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3e1b n ARG 116 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3e1b n ALA 117 N -0.92 1.23 -1.14 2.89 0.00 -1.26 -4.96 120.51 116.34 3e1b n ALA 117 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 3e1b n ALA 117 Cb 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 3e1b n ALA 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3e1b n MET 118 N -1.11 2.38 -0.03 0.00 0.00 -1.26 -4.73 117.12 112.37 3e1b n MET 118 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 57.70 56.12 3e1b n MET 118 Cb 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 33.22 30.97 3e1b n MET 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3e1b h PHE 119 N 3.34 0.29 -0.21 1.12 -1.00 -1.93 -3.35 116.94 115.19 3e1b h PHE 119 Ca 0.33 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3e1b h PHE 119 Cb 1.19 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.70 3e1b h PHE 119 CO 1.75 0.79 0.00 -2.13 -1.61 0.00 0.00 178.31 177.12 3e1b n ARG 120 N -4.58 2.29 -0.21 1.51 0.63 -1.26 -4.70 116.66 110.34 3e1b n ARG 120 Ca -0.08 -1.92 0.29 0.00 -0.92 0.00 0.00 57.85 55.22 3e1b n ARG 120 Cb 0.41 -1.48 0.72 0.00 0.45 0.00 0.00 32.46 32.56 3e1b n ARG 120 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3e1b h LYS 121 N 4.13 0.02 0.00 -0.14 1.63 -1.89 0.20 116.57 120.53 3e1b h LYS 121 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3e1b h LYS 121 Cb 0.90 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 3e1b h LYS 121 CO 0.00 0.02 0.00 1.47 -3.45 0.00 0.00 179.45 177.49 3e1b n LEU 122 N -4.27 0.00 0.00 5.20 -0.00 -1.26 -4.86 117.00 111.80 3e1b n LEU 122 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 3e1b n LEU 122 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.42 3e1b n LEU 122 CO 0.39 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 178.07 3e1b n LYS 123 N -0.56 0.00 -0.94 1.47 4.76 0.70 -4.49 118.16 119.10 3e1b n LYS 123 Ca 0.02 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 3e1b n LYS 123 Cb 0.01 -0.08 -0.01 0.00 -1.84 0.00 0.00 35.03 33.10 3e1b n LYS 123 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3e1b n VAL 124 N 0.00 0.00 -1.12 -0.18 0.24 -1.26 -5.02 118.33 110.99 3e1b n VAL 124 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3e1b n VAL 124 Cb 0.00 -0.96 0.13 0.00 -1.47 0.00 0.00 33.84 31.54 3e1b n VAL 124 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3e1b s TYR 125 N -1.09 2.27 -0.10 6.34 1.51 -1.26 -5.01 117.35 120.00 3e1b s TYR 125 Ca 0.00 1.45 -0.09 0.00 -1.01 0.00 0.00 57.07 57.42 3e1b s TYR 125 Cb 0.00 -3.14 0.03 0.00 -0.11 0.00 0.00 41.96 38.74 3e1b s TYR 125 CO 0.00 -2.30 0.27 0.00 -1.11 0.00 0.00 175.55 172.41 3e1b s ALA 126 N -2.86 -0.66 0.00 3.71 0.00 -1.26 -4.65 121.76 116.04 3e1b s ALA 126 Ca 0.63 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3e1b s ALA 126 Cb -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3e1b s ALA 126 CO 0.57 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.60 3e1b n GLY 127 N 3.17 0.00 7.00 0.00 0.00 0.30 -4.94 105.19 110.72 3e1b n GLY 127 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3e1b n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3e1b n ASN 128 N 0.00 -1.27 0.00 1.61 2.85 -0.40 -3.31 115.26 114.74 3e1b n ASN 128 Ca 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.52 3e1b n ASN 128 Cb 0.00 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.28 3e1b n ASN 128 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3e1b n GLU 129 N 0.00 0.10 -0.09 1.20 1.02 -1.26 -0.66 120.64 120.95 3e1b n GLU 129 Ca 0.00 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 3e1b n GLU 129 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 3e1b n GLU 129 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3e1b h HIS 130 N 0.00 0.63 -2.14 -0.32 2.76 -2.01 -3.43 115.15 110.64 3e1b h HIS 130 Ca 0.00 -0.16 -0.54 0.00 -2.20 0.00 0.00 60.37 57.47 3e1b h HIS 130 Cb 0.13 -0.14 -0.36 0.00 1.55 0.00 0.00 27.41 28.58 3e1b h HIS 130 CO 0.00 0.80 -0.96 0.09 -1.30 0.00 0.00 177.93 176.56 3e1b n ASN 131 N -4.46 -0.63 -4.58 3.26 3.02 0.16 -5.06 115.26 106.98 3e1b n ASN 131 Ca -0.04 -2.49 -0.32 0.00 -0.03 0.00 0.00 54.58 51.70 3e1b n ASN 131 Cb 0.36 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3e1b n ASN 131 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3e1b s HIS 132 N -0.12 2.16 -1.65 3.10 3.76 -1.13 -4.42 115.29 117.00 3e1b s HIS 132 Ca 0.33 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3e1b s HIS 132 Cb 0.07 -4.21 0.00 0.00 1.11 0.00 0.00 32.58 29.55 3e1b s HIS 132 CO -0.17 -1.41 0.67 0.00 -0.85 0.00 0.00 174.74 172.98 3e1b n ALA 133 N 12.72 2.28 -3.46 -1.40 0.00 -1.26 -4.83 120.51 124.56 3e1b n ALA 133 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 3e1b n ALA 133 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3e1b n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 134 N -0.29 0.22 -1.17 0.00 0.00 -1.26 -5.01 120.51 113.00 3e1b n ALA 134 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 3e1b n ALA 134 Cb 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 3e1b n ALA 134 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3e1b n GLN 135 N -0.92 0.00 -0.07 0.00 7.27 -1.26 -5.01 117.38 117.38 3e1b n GLN 135 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 3e1b n GLN 135 Cb 0.15 -0.85 -0.12 0.00 2.41 0.00 0.00 30.24 31.82 3e1b n GLN 135 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3e1b n GLN 136 N 0.92 0.67 -1.56 3.69 1.13 -1.26 -4.82 117.38 116.14 3e1b n GLN 136 Ca 0.14 0.31 -0.39 0.00 -1.94 0.00 0.00 57.00 55.12 3e1b n GLN 136 Cb 0.24 -1.64 0.04 0.00 0.11 0.00 0.00 30.24 28.99 3e1b n GLN 136 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3e1b n PRO 137 N -3.77 0.85 -1.73 -1.09 -0.02 -1.26 -4.78 135.00 123.20 3e1b n PRO 137 Ca -0.39 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 3e1b n PRO 137 Cb 0.93 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 3e1b n PRO 137 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3e1b s GLN 138 N -2.32 3.89 1.30 -0.52 -0.21 -1.26 -4.98 119.66 115.56 3e1b s GLN 138 Ca 0.70 2.37 -0.22 0.00 0.02 0.00 0.00 55.36 58.23 3e1b s GLN 138 Cb -0.46 -4.18 0.34 0.00 1.00 0.00 0.00 33.01 29.70 3e1b s GLN 138 CO 0.52 -1.23 0.82 1.33 -2.12 0.00 0.00 175.29 174.61 3e1b n VAL 139 N 6.10 0.00 -0.64 1.09 0.24 -1.26 -5.03 118.33 118.83 3e1b n VAL 139 Ca 0.22 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3e1b n VAL 139 Cb 0.42 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 3e1b n VAL 139 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87