#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d s LYS 2 N 0.00 4.55 0.27 2.12 3.01 -1.26 -4.99 119.74 123.43 3e1d s LYS 2 Ca 0.00 1.43 0.10 0.00 -1.01 0.00 0.00 55.97 56.49 3e1d s LYS 2 Cb 0.00 -2.85 0.34 0.00 -1.01 0.00 0.00 37.83 34.31 3e1d s LYS 2 CO 0.00 0.23 1.60 1.79 0.51 0.00 0.00 175.35 179.48 3e1d h THR 3 N 2.64 1.45 -3.25 2.17 1.35 -2.07 -3.46 112.91 111.74 3e1d h THR 3 Ca -0.47 -2.15 -0.41 0.00 -0.55 0.00 0.00 66.41 62.83 3e1d h THR 3 Cb 1.20 2.16 0.21 0.00 -1.73 0.00 0.00 68.15 69.98 3e1d h THR 3 CO 0.65 0.61 -0.01 0.12 -0.25 0.00 0.00 175.52 176.64 3e1d s PHE 4 N -3.59 0.51 0.00 4.73 5.36 -1.26 -5.04 117.98 118.68 3e1d s PHE 4 Ca -0.01 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 3e1d s PHE 4 Cb 0.13 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3e1d s PHE 4 CO 0.76 -4.26 0.62 0.25 -1.46 0.00 0.00 175.22 171.13 3e1d n THR 5 N -5.14 0.00 -0.81 0.12 -2.24 -1.26 -5.13 114.28 99.82 3e1d n THR 5 Ca 0.08 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 3e1d n THR 5 Cb 0.58 0.12 0.15 0.00 -2.10 0.00 0.00 70.33 69.08 3e1d n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1d s ALA 6 N 0.00 1.61 0.24 6.98 0.00 -1.26 -3.03 121.76 126.30 3e1d s ALA 6 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 3e1d s ALA 6 Cb 0.00 -3.43 0.42 0.00 0.00 0.00 0.00 23.12 20.11 3e1d s ALA 6 CO -0.00 -2.59 1.66 0.87 0.00 0.00 0.00 175.76 175.70 3e1d h LYS 7 N -1.70 0.16 0.00 0.00 1.57 -2.00 -3.47 116.57 111.13 3e1d h LYS 7 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3e1d h LYS 7 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3e1d h LYS 7 CO 0.43 0.10 0.00 -0.35 -0.57 0.00 0.00 179.45 179.07 3e1d n PRO 8 N -5.26 0.14 -1.44 3.15 -0.04 -1.17 -4.73 135.00 125.65 3e1d n PRO 8 Ca 0.13 0.43 -0.06 0.00 -0.04 0.00 0.00 63.50 63.96 3e1d n PRO 8 Cb 0.45 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 3e1d n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3e1d n GLU 9 N -2.08 -0.31 0.00 0.54 4.07 -1.26 -4.28 120.64 117.32 3e1d n GLU 9 Ca 0.02 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 3e1d n GLU 9 Cb 0.18 -0.32 0.00 0.00 -0.06 0.00 0.00 31.44 31.24 3e1d n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3e1d n THR 10 N -0.05 0.00 0.00 6.31 -2.24 -1.26 -5.06 114.28 111.98 3e1d n THR 10 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3e1d n THR 10 Cb 0.11 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3e1d n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3e1d n VAL 11 N -0.21 0.00 -3.45 2.28 3.14 -1.26 -4.68 118.33 114.16 3e1d n VAL 11 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 3e1d n VAL 11 Cb 0.07 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.73 3e1d n VAL 11 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3e1d s LYS 12 N 0.00 0.26 -0.01 1.45 2.47 -1.26 -5.03 119.74 117.62 3e1d s LYS 12 Ca 0.00 -0.07 0.07 0.00 -1.56 0.00 0.00 55.97 54.41 3e1d s LYS 12 Cb 0.00 -0.89 -0.11 0.00 -1.46 0.00 0.00 37.83 35.37 3e1d s LYS 12 CO 0.00 -0.90 0.14 0.54 0.16 0.00 0.00 175.35 175.29 3e1d n ARG 13 N 5.31 0.45 -2.81 4.03 1.74 -1.26 -4.75 116.66 119.36 3e1d n ARG 13 Ca -0.04 -0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 3e1d n ARG 13 Cb 0.47 -1.17 0.03 0.00 -1.02 0.00 0.00 32.46 30.77 3e1d n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3e1d n ASP 14 N -1.79 -3.79 -4.55 0.55 8.00 -1.26 -2.24 116.55 111.47 3e1d n ASP 14 Ca -0.02 -0.16 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 3e1d n ASP 14 Cb 0.23 -1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 40.10 3e1d n ASP 14 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3e1d n TRP 15 N -0.26 0.90 -5.15 1.24 8.01 -1.26 -4.50 117.44 116.43 3e1d n TRP 15 Ca -0.07 -0.19 -0.32 0.00 -1.31 0.00 0.00 57.50 55.61 3e1d n TRP 15 Cb 0.48 -2.57 -0.17 0.00 -2.01 0.00 0.00 31.31 27.05 3e1d n TRP 15 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 3e1d s TYR 16 N 17.20 2.60 -0.55 -5.99 5.04 -1.25 -2.02 117.35 132.39 3e1d s TYR 16 Ca 0.81 -0.97 -0.28 0.00 -2.44 0.00 0.00 57.07 54.20 3e1d s TYR 16 Cb -0.04 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.55 3e1d s TYR 16 CO 0.19 -0.38 1.45 0.08 -1.34 0.00 0.00 175.55 175.56 3e1d s VAL 17 N 0.32 3.76 -0.80 3.14 1.01 0.01 -0.30 120.40 127.54 3e1d s VAL 17 Ca -0.17 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 3e1d s VAL 17 Cb -0.18 -4.37 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 3e1d s VAL 17 CO 0.08 -1.10 3.14 1.33 0.00 0.00 0.00 175.10 178.55 3e1d n VAL 18 N 6.91 3.48 -0.13 2.92 0.24 -0.59 -4.77 118.33 126.40 3e1d n VAL 18 Ca 0.13 -1.95 0.22 0.00 -2.04 0.00 0.00 64.34 60.71 3e1d n VAL 18 Cb 0.49 -2.28 0.34 0.00 -1.47 0.00 0.00 33.84 30.92 3e1d n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3e1d n ASP 19 N 3.12 0.00 0.26 -1.34 5.68 -1.26 -1.93 116.55 121.08 3e1d n ASP 19 Ca 0.58 0.65 0.11 0.00 -0.50 0.00 0.00 54.79 55.64 3e1d n ASP 19 Cb 0.53 -0.20 0.59 0.00 -1.14 0.00 0.00 41.12 40.89 3e1d n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e1d h ALA 20 N 0.40 1.31 -0.39 2.12 0.00 -1.98 -3.44 119.26 117.29 3e1d h ALA 20 Ca 0.38 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.58 3e1d h ALA 20 Cb 2.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 3e1d h ALA 20 CO -0.00 -0.31 0.91 -2.37 0.00 0.00 0.00 179.25 177.47 3e1d n THR 21 N -2.52 0.00 0.00 0.00 5.66 -0.81 -1.94 114.28 114.66 3e1d n THR 21 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3e1d n THR 21 Cb 0.39 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 3e1d n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3e1d n GLY 22 N 5.20 0.81 0.00 1.09 0.00 -1.08 -4.62 105.19 106.59 3e1d n GLY 22 Ca 0.39 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.45 3e1d n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1d n LYS 23 N 0.00 0.21 -1.53 1.61 2.85 -1.13 -2.64 118.16 117.52 3e1d n LYS 23 Ca 0.00 0.14 -0.03 0.00 -1.05 0.00 0.00 58.31 57.38 3e1d n LYS 23 Cb 0.00 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.90 3e1d n LYS 23 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3e1d n THR 24 N -1.24 0.00 -0.00 0.58 5.66 -0.82 -5.08 114.28 113.38 3e1d n THR 24 Ca 0.06 -0.32 -0.00 0.00 -3.05 0.00 0.00 64.05 60.74 3e1d n THR 24 Cb 0.08 0.57 -0.00 0.00 -1.55 0.00 0.00 70.33 69.43 3e1d n THR 24 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3e1d n LEU 25 N -0.50 -0.01 0.00 1.09 -0.00 -1.08 -1.87 117.00 114.63 3e1d n LEU 25 Ca -0.14 0.98 0.06 0.00 -0.00 0.00 0.00 56.01 56.91 3e1d n LEU 25 Cb 0.64 -0.48 0.31 0.00 -0.00 0.00 0.00 43.42 43.88 3e1d n LEU 25 CO -0.09 -0.50 0.62 0.61 -0.00 0.00 0.00 177.39 178.03 3e1d n GLY 26 N -1.00 -0.60 0.17 -3.96 0.00 -1.26 -0.71 105.19 97.82 3e1d n GLY 26 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3e1d n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3e1d h ARG 27 N 0.00 0.00 0.00 1.61 2.47 -1.79 -3.38 114.38 113.29 3e1d h ARG 27 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3e1d h ARG 27 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3e1d h ARG 27 CO 0.00 0.22 -0.04 1.28 0.56 0.00 0.00 179.97 181.99 3e1d n LEU 28 N -3.09 0.00 -0.07 3.04 4.77 -0.75 -4.45 117.00 116.46 3e1d n LEU 28 Ca 0.02 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 3e1d n LEU 28 Cb 0.64 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.92 3e1d n LEU 28 CO 0.38 0.00 0.85 0.00 -1.33 0.00 0.00 177.39 177.29 3e1d h ALA 29 N 0.00 1.14 -0.15 -1.18 0.00 -1.17 0.39 119.26 118.29 3e1d h ALA 29 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3e1d h ALA 29 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3e1d h ALA 29 CO 0.00 0.55 0.16 1.79 0.00 0.00 0.00 179.25 181.74 3e1d h THR 30 N 0.64 0.53 0.00 0.00 1.35 -1.78 -3.27 112.91 110.37 3e1d h THR 30 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3e1d h THR 30 Cb 0.48 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3e1d h THR 30 CO 0.03 0.00 -0.03 -0.62 -0.25 0.00 0.00 175.52 174.64 3e1d n GLU 31 N -3.89 1.95 0.06 4.72 -0.58 -1.15 -4.67 120.64 117.08 3e1d n GLU 31 Ca 0.01 -1.50 0.09 0.00 -0.42 0.00 0.00 57.16 55.34 3e1d n GLU 31 Cb 0.27 -0.98 0.55 0.00 -0.57 0.00 0.00 31.44 30.71 3e1d n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3e1d h LEU 32 N 0.00 0.23 0.05 -4.62 5.85 -0.97 -1.28 115.31 114.58 3e1d h LEU 32 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3e1d h LEU 32 Cb 0.74 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3e1d h LEU 32 CO 0.00 0.16 -0.16 0.00 -0.34 0.00 0.00 178.44 178.10 3e1d h ALA 33 N 1.81 -0.72 -0.38 1.25 0.00 -1.83 -0.55 119.26 118.85 3e1d h ALA 33 Ca 0.15 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3e1d h ALA 33 Cb 0.25 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3e1d h ALA 33 CO -0.03 -0.75 0.45 -0.09 0.00 0.00 0.00 179.25 178.83 3e1d h ARG 34 N -0.24 0.00 0.22 0.00 2.43 -1.85 -1.46 114.38 113.49 3e1d h ARG 34 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3e1d h ARG 34 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3e1d h ARG 34 CO -0.08 0.00 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.18 3e1d h ARG 35 N 0.00 -0.29 -0.91 0.20 9.65 -1.13 -1.27 114.38 120.64 3e1d h ARG 35 Ca 0.18 0.02 0.21 0.00 -1.10 0.00 0.00 59.98 59.29 3e1d h ARG 35 Cb 1.08 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.66 3e1d h ARG 35 CO -0.00 0.02 0.60 1.37 2.80 0.00 0.00 179.97 184.77 3e1d h LEU 36 N -0.98 0.36 0.00 3.80 8.10 -0.17 -2.66 115.31 123.76 3e1d h LEU 36 Ca -0.03 0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.00 3e1d h LEU 36 Cb 0.45 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 3e1d h LEU 36 CO 0.05 0.14 -0.71 -0.09 -4.11 0.00 0.00 178.44 173.72 3e1d h ARG 37 N 0.36 0.00 0.00 0.17 2.43 -1.41 -3.44 114.38 112.49 3e1d h ARG 37 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3e1d h ARG 37 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3e1d h ARG 37 CO -0.16 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.71 3e1d n GLY 38 N 1.24 0.93 3.62 2.80 0.00 -0.48 -4.18 105.19 109.12 3e1d n GLY 38 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3e1d n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1d n LYS 39 N 0.00 0.00 0.00 1.61 2.85 -1.21 -2.50 118.16 118.91 3e1d n LYS 39 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3e1d n LYS 39 Cb 0.00 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 3e1d n LYS 39 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3e1d n HIS 40 N 0.00 0.00 0.34 5.58 8.25 -1.26 -4.87 115.22 123.26 3e1d n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3e1d n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3e1d n HIS 40 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3e1d n LYS 41 N -2.34 0.24 0.00 -0.41 2.85 -1.04 -4.08 118.16 113.38 3e1d n LYS 41 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3e1d n LYS 41 Cb 0.00 -1.07 0.51 0.00 -0.65 0.00 0.00 35.03 33.82 3e1d n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1d n ALA 42 N 0.03 2.09 0.91 0.58 0.00 -1.25 -4.19 120.51 118.67 3e1d n ALA 42 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.43 3e1d n ALA 42 Cb 0.04 -1.38 0.44 0.00 0.00 0.00 0.00 19.45 18.54 3e1d n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3e1d n GLU 43 N -1.47 0.44 0.01 0.00 0.28 -1.26 -4.31 120.64 114.33 3e1d n GLU 43 Ca 0.06 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3e1d n GLU 43 Cb 0.26 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.63 3e1d n GLU 43 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3e1d n TYR 44 N -1.03 -0.08 -3.08 -1.84 4.01 -1.26 -5.05 117.16 108.84 3e1d n TYR 44 Ca 0.11 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.67 3e1d n TYR 44 Cb 0.06 0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3e1d n TYR 44 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3e1d n THR 45 N -2.60 -0.43 -0.65 -0.72 -1.04 -1.26 -4.68 114.28 102.89 3e1d n THR 45 Ca 0.00 -3.47 -0.04 0.00 -2.04 0.00 0.00 64.05 58.50 3e1d n THR 45 Cb 0.00 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 67.67 3e1d n THR 45 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3e1d n PRO 46 N 1.21 1.30 0.00 -2.82 -0.04 -1.26 -3.19 135.00 130.20 3e1d n PRO 46 Ca 0.18 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3e1d n PRO 46 Cb 0.58 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3e1d n PRO 46 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3e1d n HIS 47 N 1.72 0.00 -3.89 0.54 -0.00 -1.26 -4.94 115.22 107.38 3e1d n HIS 47 Ca 0.13 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.19 3e1d n HIS 47 Cb 0.61 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.35 3e1d n HIS 47 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3e1d s VAL 48 N 0.00 0.03 0.00 3.57 1.01 -1.19 -4.99 120.40 118.83 3e1d s VAL 48 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3e1d s VAL 48 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.28 3e1d s VAL 48 CO 0.00 -0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.29 3e1d n ASP 49 N 2.65 0.00 -4.66 3.32 -0.08 -1.26 -4.80 116.55 111.72 3e1d n ASP 49 Ca -0.15 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.84 3e1d n ASP 49 Cb 0.59 -0.22 0.18 0.00 2.34 0.00 0.00 41.12 44.00 3e1d n ASP 49 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3e1d s THR 50 N 0.00 2.20 0.13 5.18 -1.32 -1.26 -4.87 115.64 115.71 3e1d s THR 50 Ca 0.00 0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 3e1d s THR 50 Cb 0.00 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 3e1d s THR 50 CO 0.00 -0.09 -0.02 -0.83 -2.21 0.00 0.00 174.62 171.47 3e1d s GLY 51 N -3.29 0.99 0.13 6.08 0.00 -1.26 -5.07 107.32 104.90 3e1d s GLY 51 Ca 0.65 -1.47 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 3e1d s GLY 51 CO 0.58 -1.48 0.25 -0.35 0.00 0.00 0.00 173.10 172.11 3e1d s ASP 52 N -3.10 0.05 -0.41 1.64 2.15 -1.26 -4.64 116.67 111.10 3e1d s ASP 52 Ca 0.18 -0.73 0.05 0.00 0.43 0.00 0.00 52.55 52.48 3e1d s ASP 52 Cb 0.06 0.40 0.19 0.00 -0.30 0.00 0.00 42.92 43.26 3e1d s ASP 52 CO -0.00 -0.82 0.39 0.00 -0.17 0.00 0.00 175.17 174.57 3e1d n TYR 53 N -0.15 -0.93 -2.53 -5.34 -0.00 -0.95 -4.76 117.16 102.50 3e1d n TYR 53 Ca -0.11 -3.29 -0.38 0.00 -0.00 0.00 0.00 57.90 54.12 3e1d n TYR 53 Cb 0.63 0.18 -0.04 0.00 -0.00 0.00 0.00 39.34 40.11 3e1d n TYR 53 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 3e1d s ILE 54 N -0.18 3.65 -0.30 2.97 -4.36 -1.26 -3.75 121.20 117.97 3e1d s ILE 54 Ca 0.33 1.43 -0.07 0.00 -0.26 0.00 0.00 60.65 62.09 3e1d s ILE 54 Cb 0.07 -3.82 0.01 0.00 1.25 0.00 0.00 42.46 39.97 3e1d s ILE 54 CO -0.18 0.17 0.09 -0.63 0.24 0.00 0.00 174.94 174.63 3e1d s ILE 55 N -1.44 3.95 0.59 8.37 -1.09 0.58 -4.41 121.20 127.75 3e1d s ILE 55 Ca 0.52 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 3e1d s ILE 55 Cb -0.26 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 3e1d s ILE 55 CO 0.33 0.03 1.06 -0.69 -1.23 0.00 0.00 174.94 174.43 3e1d s VAL 56 N 1.48 3.82 0.00 2.92 1.01 -1.26 -1.54 120.40 126.84 3e1d s VAL 56 Ca 0.02 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3e1d s VAL 56 Cb -0.18 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3e1d s VAL 56 CO 0.03 -0.51 0.00 -0.11 0.00 0.00 0.00 175.10 174.51 3e1d n LEU 57 N -2.01 0.00 -4.29 3.92 7.94 -1.26 -4.89 117.00 116.41 3e1d n LEU 57 Ca 0.09 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.83 3e1d n LEU 57 Cb 0.53 0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.48 3e1d n LEU 57 CO 0.47 -0.37 -0.32 0.20 -1.11 0.00 0.00 177.39 176.27 3e1d s ASN 58 N -3.67 1.45 0.00 1.96 -0.87 -1.26 -1.18 114.94 111.37 3e1d s ASN 58 Ca 0.00 -1.23 0.00 0.00 -1.57 0.00 0.00 52.86 50.06 3e1d s ASN 58 Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.31 3e1d s ASN 58 CO 0.00 -0.57 0.00 0.00 -2.57 0.00 0.00 177.10 173.96 3e1d n ALA 59 N -0.35 2.70 0.32 0.60 0.00 -1.26 -4.93 120.51 117.60 3e1d n ALA 59 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3e1d n ALA 59 Cb 0.64 0.12 0.65 0.00 0.00 0.00 0.00 19.45 20.86 3e1d n ALA 59 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3e1d h ASP 60 N 0.00 0.00 -0.88 0.00 2.03 -1.91 -3.37 116.42 112.29 3e1d h ASP 60 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3e1d h ASP 60 Cb 0.25 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.67 3e1d h ASP 60 CO 0.00 0.00 1.43 -0.54 -1.03 0.00 0.00 179.24 179.10 3e1d s LYS 61 N -3.55 3.30 0.15 4.15 1.02 -1.26 -4.71 119.74 118.84 3e1d s LYS 61 Ca 0.01 -1.14 0.24 0.00 0.02 0.00 0.00 55.97 55.11 3e1d s LYS 61 Cb 0.09 -5.32 0.40 0.00 -0.52 0.00 0.00 37.83 32.49 3e1d s LYS 61 CO 0.42 -2.72 1.39 -0.39 -0.92 0.00 0.00 175.35 173.13 3e1d h VAL 62 N 6.54 0.00 0.00 3.17 -1.51 -1.93 -2.86 116.25 119.67 3e1d h VAL 62 Ca 0.24 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 3e1d h VAL 62 Cb 0.97 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3e1d h VAL 62 CO 1.36 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.70 3e1d n ALA 63 N -1.85 0.00 0.00 5.19 0.00 -1.26 -4.61 120.51 117.98 3e1d n ALA 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3e1d n ALA 63 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3e1d n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1d n VAL 64 N 0.00 0.00 -3.87 0.00 0.31 -1.26 -4.77 118.33 108.74 3e1d n VAL 64 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3e1d n VAL 64 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3e1d n VAL 64 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3e1d n THR 65 N -1.02 -4.13 -3.61 2.52 -2.24 -1.26 -4.95 114.28 99.59 3e1d n THR 65 Ca 0.00 -0.62 -0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3e1d n THR 65 Cb 0.00 -3.24 -0.01 0.00 -2.10 0.00 0.00 70.33 64.98 3e1d n THR 65 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3e1d s GLY 66 N -3.40 -0.38 0.60 3.38 0.00 -1.26 -5.02 107.32 101.24 3e1d s GLY 66 Ca 0.40 1.03 0.29 0.00 0.00 0.00 0.00 44.72 46.44 3e1d s GLY 66 CO 0.92 0.27 1.89 -0.57 0.00 0.00 0.00 173.10 175.60 3e1d h ASN 67 N 2.00 0.00 -0.95 1.64 -1.24 -2.02 -2.50 115.58 112.51 3e1d h ASN 67 Ca -0.23 0.00 0.28 0.00 0.71 0.00 0.00 56.30 57.06 3e1d h ASN 67 Cb 1.19 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 40.07 3e1d h ASN 67 CO 0.26 0.00 0.18 0.07 -1.29 0.00 0.00 177.43 176.65 3e1d h LYS 68 N 0.00 0.07 -1.01 6.67 2.10 -1.96 -3.26 116.57 119.17 3e1d h LYS 68 Ca 0.20 -0.00 0.24 0.00 -2.00 0.00 0.00 60.65 59.09 3e1d h LYS 68 Cb 1.16 -0.02 -0.11 0.00 -0.90 0.00 0.00 32.23 32.36 3e1d h LYS 68 CO -0.00 0.05 0.62 -0.09 -2.00 0.00 0.00 179.45 178.02 3e1d h ARG 69 N 0.07 0.53 -0.37 0.07 2.43 -1.82 -0.22 114.38 115.07 3e1d h ARG 69 Ca 0.62 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 3e1d h ARG 69 Cb 1.36 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3e1d h ARG 69 CO -0.81 0.35 0.00 0.25 -1.51 0.00 0.00 179.97 178.25 3e1d n THR 70 N -4.79 0.73 -0.70 0.20 -2.24 -1.23 -1.83 114.28 104.42 3e1d n THR 70 Ca 0.26 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3e1d n THR 70 Cb 0.76 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3e1d n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3e1d n ASP 71 N 0.93 0.00 -4.64 3.42 5.75 -0.97 -4.91 116.55 116.13 3e1d n ASP 71 Ca 0.15 -0.62 -0.43 0.00 -0.01 0.00 0.00 54.79 53.88 3e1d n ASP 71 Cb 0.47 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3e1d n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3e1d s LYS 72 N 0.00 4.14 0.60 0.11 2.47 -0.13 -5.05 119.74 121.89 3e1d s LYS 72 Ca 0.00 1.10 -0.10 0.00 -1.56 0.00 0.00 55.97 55.41 3e1d s LYS 72 Cb 0.00 -3.69 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 3e1d s LYS 72 CO 0.00 -0.72 1.00 0.08 0.16 0.00 0.00 175.35 175.87 3e1d s VAL 73 N 3.29 4.64 0.10 4.02 1.01 -1.26 -3.77 120.40 128.43 3e1d s VAL 73 Ca 0.42 0.74 0.09 0.00 0.00 0.00 0.00 61.98 63.23 3e1d s VAL 73 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3e1d s VAL 73 CO 0.10 -1.06 -0.23 -0.31 0.00 0.00 0.00 175.10 173.60 3e1d s TYR 74 N -3.12 1.97 -0.04 5.22 2.02 -1.26 -5.06 117.35 117.08 3e1d s TYR 74 Ca 0.54 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 3e1d s TYR 74 Cb -0.11 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 3e1d s TYR 74 CO 0.52 0.24 -0.10 1.52 -1.57 0.00 0.00 175.55 176.16 3e1d s TYR 75 N -1.09 1.12 -0.02 2.71 1.13 -1.26 -4.83 117.35 115.11 3e1d s TYR 75 Ca 0.09 -0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.42 3e1d s TYR 75 Cb -0.10 -0.83 -0.02 0.00 -1.10 0.00 0.00 41.96 39.91 3e1d s TYR 75 CO 0.05 -0.17 -0.00 0.72 -2.51 0.00 0.00 175.55 173.63 3e1d n HIS 76 N 3.56 0.00 -4.40 -3.49 8.25 -1.26 -5.05 115.22 112.84 3e1d n HIS 76 Ca -0.21 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.85 3e1d n HIS 76 Cb 0.53 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.48 3e1d n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3e1d n HIS 77 N -2.25 -1.29 0.27 4.41 8.25 -1.26 -4.76 115.22 118.58 3e1d n HIS 77 Ca -0.04 0.67 0.12 0.00 -0.26 0.00 0.00 57.72 58.22 3e1d n HIS 77 Cb 0.56 -2.00 0.53 0.00 1.12 0.00 0.00 29.99 30.20 3e1d n HIS 77 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3e1d h THR 78 N -0.93 0.04 0.00 1.59 1.35 -1.96 -3.29 112.91 109.71 3e1d h THR 78 Ca -0.57 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3e1d h THR 78 Cb 1.37 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3e1d h THR 78 CO 0.84 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3e1d n GLY 79 N -1.37 -0.09 2.61 5.82 0.00 -1.26 -4.97 105.19 105.93 3e1d n GLY 79 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3e1d n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3e1d n HIS 80 N -0.28 3.40 -0.94 1.61 8.25 -1.26 -4.90 115.22 121.09 3e1d n HIS 80 Ca 0.00 -4.04 -0.03 0.00 -0.26 0.00 0.00 57.72 53.39 3e1d n HIS 80 Cb 0.00 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.58 3e1d n HIS 80 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3e1d n ILE 81 N 0.40 0.00 0.00 1.59 -0.00 -1.25 -4.39 119.36 115.70 3e1d n ILE 81 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.05 3e1d n ILE 81 Cb 0.42 -0.97 0.00 0.00 -0.00 0.00 0.00 39.64 39.09 3e1d n ILE 81 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3e1d n GLY 82 N 0.58 1.82 5.92 3.28 0.00 -1.24 -4.89 105.19 110.66 3e1d n GLY 82 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3e1d n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLY 83 N 0.00 2.19 3.63 -0.02 0.00 -1.26 -4.72 105.19 105.02 3e1d n GLY 83 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3e1d n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3e1d s ILE 84 N 0.00 3.20 0.74 -0.61 -4.36 -1.26 -5.03 121.20 113.88 3e1d s ILE 84 Ca 0.00 0.23 -0.09 0.00 -0.26 0.00 0.00 60.65 60.53 3e1d s ILE 84 Cb 0.00 -3.21 0.16 0.00 1.25 0.00 0.00 42.46 40.67 3e1d s ILE 84 CO 0.00 -0.09 1.01 0.29 0.24 0.00 0.00 174.94 176.39 3e1d n LYS 85 N 8.05 -0.68 -4.09 0.37 5.02 -1.26 -5.07 118.16 120.50 3e1d n LYS 85 Ca 0.23 -1.93 -0.12 0.00 -2.02 0.00 0.00 58.31 54.47 3e1d n LYS 85 Cb 0.44 -0.93 -0.11 0.00 -0.02 0.00 0.00 35.03 34.41 3e1d n LYS 85 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3e1d s GLN 86 N -5.15 0.60 0.00 1.97 -0.21 -1.26 -5.10 119.66 110.51 3e1d s GLN 86 Ca 0.60 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 55.08 3e1d s GLN 86 Cb -0.02 -0.26 0.00 0.00 1.00 0.00 0.00 33.01 33.72 3e1d s GLN 86 CO 0.41 0.03 0.83 0.00 -2.12 0.00 0.00 175.29 174.44 3e1d n ALA 87 N 1.08 1.95 -1.26 6.09 0.00 -1.26 -4.96 120.51 122.15 3e1d n ALA 87 Ca -0.20 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 3e1d n ALA 87 Cb 0.56 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 19.77 3e1d n ALA 87 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3e1d s THR 88 N 0.00 2.80 0.33 0.00 -1.32 -1.26 -4.95 115.64 111.23 3e1d s THR 88 Ca 0.00 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 3e1d s THR 88 Cb 0.00 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 68.22 3e1d s THR 88 CO 0.00 -0.27 0.02 0.49 -2.21 0.00 0.00 174.62 172.64 3e1d n PHE 89 N -3.09 0.68 -0.03 9.09 3.72 -1.26 -4.10 117.46 122.46 3e1d n PHE 89 Ca 0.11 -1.68 -0.14 0.00 -0.05 0.00 0.00 57.45 55.69 3e1d n PHE 89 Cb 0.52 -0.19 -0.11 0.00 -0.94 0.00 0.00 39.48 38.76 3e1d n PHE 89 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3e1d h GLU 90 N 0.00 0.14 0.00 -1.08 5.08 -1.45 -2.39 114.58 114.87 3e1d h GLU 90 Ca -0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3e1d h GLU 90 Cb 0.85 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3e1d h GLU 90 CO 0.45 0.80 0.00 -0.85 -1.00 0.00 0.00 179.01 178.41 3e1d n GLU 91 N -4.61 0.66 -0.10 2.33 0.28 -1.05 -2.72 120.64 115.43 3e1d n GLU 91 Ca -0.09 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.80 3e1d n GLU 91 Cb 0.42 -1.48 -0.16 0.00 1.43 0.00 0.00 31.44 31.65 3e1d n GLU 91 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 3e1d n MET 92 N -0.98 0.69 0.11 3.44 1.56 -1.09 -4.62 117.12 116.22 3e1d n MET 92 Ca 0.15 0.01 -0.24 0.00 -0.27 0.00 0.00 57.70 57.35 3e1d n MET 92 Cb 0.07 -1.52 -0.15 0.00 2.15 0.00 0.00 33.22 33.77 3e1d n MET 92 CO 0.00 0.00 0.00 0.97 -0.73 0.00 0.00 175.97 176.21 3e1d h ILE 93 N 0.00 1.17 0.00 1.12 2.10 -1.49 -3.37 117.51 117.05 3e1d h ILE 93 Ca -0.55 -2.62 0.00 0.00 1.08 0.00 0.00 64.86 62.77 3e1d h ILE 93 Cb 2.21 2.95 0.00 0.00 -1.09 0.00 0.00 36.82 40.90 3e1d h ILE 93 CO 0.02 0.82 0.27 0.00 -1.08 0.00 0.00 178.15 178.18 3e1d h ALA 94 N 0.13 1.19 -0.37 0.18 0.00 -1.77 -0.33 119.26 118.29 3e1d h ALA 94 Ca -0.28 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3e1d h ALA 94 Cb 2.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 3e1d h ALA 94 CO 0.23 -0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.55 3e1d h ARG 95 N 0.00 0.14 -5.27 0.00 2.47 -1.84 -3.33 114.38 106.56 3e1d h ARG 95 Ca 0.00 -0.01 -0.64 0.00 -1.26 0.00 0.00 59.98 58.07 3e1d h ARG 95 Cb 0.54 -0.03 -0.24 0.00 -1.65 0.00 0.00 29.97 28.59 3e1d h ARG 95 CO 0.00 0.09 -0.70 0.50 0.56 0.00 0.00 179.97 180.42 3e1d s ARG 96 N -5.16 3.57 -0.71 0.04 3.52 -0.13 -4.90 118.95 115.18 3e1d s ARG 96 Ca -0.06 -0.57 -0.26 0.00 -0.13 0.00 0.00 55.73 54.71 3e1d s ARG 96 Cb 0.19 -2.86 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3e1d s ARG 96 CO 0.72 0.18 1.76 -1.25 -0.81 0.00 0.00 175.30 175.90 3e1d s PRO 97 N 0.50 2.75 0.00 5.12 0.04 -1.26 -4.89 135.00 137.26 3e1d s PRO 97 Ca -0.05 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.21 3e1d s PRO 97 Cb -0.15 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.86 3e1d s PRO 97 CO 0.03 -2.73 0.00 -1.91 0.04 0.00 0.00 177.00 172.43 3e1d n GLU 98 N 9.14 0.00 0.00 4.56 2.13 -1.26 -5.08 120.64 130.14 3e1d n GLU 98 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3e1d n GLU 98 Cb 0.51 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.15 3e1d n GLU 98 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3e1d n ARG 99 N -1.70 0.00 0.00 5.31 0.63 -1.26 -5.04 116.66 114.59 3e1d n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3e1d n ARG 99 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3e1d n ARG 99 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3e1d n VAL 100 N 0.00 0.00 -0.13 5.15 3.14 -1.26 -4.93 118.33 120.30 3e1d n VAL 100 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3e1d n VAL 100 Cb 0.00 0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 3e1d n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1d n ILE 101 N 0.00 0.04 0.00 1.55 0.13 -1.26 -4.83 119.36 114.99 3e1d n ILE 101 Ca 0.00 -0.46 0.00 0.00 -1.10 0.00 0.00 62.75 61.19 3e1d n ILE 101 Cb 0.00 1.10 0.00 0.00 -0.84 0.00 0.00 39.64 39.90 3e1d n ILE 101 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3e1d n GLU 102 N -0.02 0.00 0.08 9.51 0.00 -1.26 -4.86 120.64 124.09 3e1d n GLU 102 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 3e1d n GLU 102 Cb 0.04 -0.50 0.09 0.00 0.00 0.00 0.00 31.44 31.07 3e1d n GLU 102 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 3e1d h ILE 103 N 0.00 1.41 0.00 3.84 6.09 -1.91 -3.48 117.51 123.46 3e1d h ILE 103 Ca 0.00 -2.14 0.00 0.00 -1.37 0.00 0.00 64.86 61.35 3e1d h ILE 103 Cb 0.00 2.11 0.00 0.00 0.47 0.00 0.00 36.82 39.40 3e1d h ILE 103 CO 0.00 0.63 0.00 0.00 -3.07 0.00 0.00 178.15 175.71 3e1d n ALA 104 N -2.47 0.00 0.28 0.18 0.00 -1.26 -4.70 120.51 112.54 3e1d n ALA 104 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.56 3e1d n ALA 104 Cb 0.66 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.83 3e1d n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1d h VAL 105 N 0.00 0.07 -0.77 0.00 2.07 -1.92 -1.34 116.25 114.35 3e1d h VAL 105 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 3e1d h VAL 105 Cb 0.00 0.58 -0.14 0.00 -1.52 0.00 0.00 31.29 30.21 3e1d h VAL 105 CO 0.00 0.00 -0.03 1.17 0.02 0.00 0.00 177.57 178.73 3e1d n LYS 106 N -3.00 -0.06 0.04 1.57 3.00 -1.26 -0.85 118.16 117.59 3e1d n LYS 106 Ca 0.00 1.17 0.11 0.00 -0.00 0.00 0.00 58.31 59.59 3e1d n LYS 106 Cb 0.51 -1.83 0.07 0.00 0.00 0.00 0.00 35.03 33.78 3e1d n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3e1d n GLY 107 N -1.41 -1.27 0.09 3.14 0.00 -0.50 -4.26 105.19 100.98 3e1d n GLY 107 Ca 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3e1d n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3e1d n MET 108 N -2.02 0.98 -3.36 1.61 2.81 -0.42 -4.54 117.12 112.18 3e1d n MET 108 Ca 0.02 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 3e1d n MET 108 Cb 0.44 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.49 3e1d n MET 108 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3e1d n LEU 109 N -2.81 5.34 -0.91 4.03 4.77 -0.03 -5.00 117.00 122.39 3e1d n LEU 109 Ca -0.32 -5.09 0.12 0.00 -0.03 0.00 0.00 56.01 50.69 3e1d n LEU 109 Cb 1.01 -1.35 0.20 0.00 -2.33 0.00 0.00 43.42 40.94 3e1d n LEU 109 CO 0.32 1.46 0.69 -0.81 -1.33 0.00 0.00 177.39 177.71 3e1d n PRO 110 N 2.36 2.24 0.00 3.23 -0.04 -1.26 -3.86 135.00 137.67 3e1d n PRO 110 Ca 0.24 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 3e1d n PRO 110 Cb 0.38 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3e1d n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3e1d n LYS 111 N 1.16 0.00 0.00 0.54 5.02 -1.26 -4.90 118.16 118.72 3e1d n LYS 111 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3e1d n LYS 111 Cb 0.55 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 3e1d n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1d n GLY 112 N 3.31 3.69 2.23 0.72 0.00 -1.25 -5.09 105.19 108.79 3e1d n GLY 112 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 3e1d n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1d n PRO 113 N 0.00 0.00 0.00 1.61 -0.02 -1.26 0.20 135.00 135.53 3e1d n PRO 113 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3e1d n PRO 113 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3e1d n PRO 113 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3e1d n LEU 114 N 1.07 0.00 0.10 2.45 7.94 -1.26 -4.61 117.00 122.69 3e1d n LEU 114 Ca 0.12 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.11 3e1d n LEU 114 Cb 0.09 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.44 3e1d n LEU 114 CO 0.38 0.00 0.75 0.61 -1.11 0.00 0.00 177.39 178.03 3e1d n GLY 115 N 0.00 -0.91 0.00 -3.96 0.00 -0.74 -4.40 105.19 95.18 3e1d n GLY 115 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3e1d n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3e1d n ARG 116 N -2.00 0.14 0.00 1.61 1.85 0.13 -2.77 116.66 115.63 3e1d n ARG 116 Ca 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 3e1d n ARG 116 Cb 0.09 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 3e1d n ARG 116 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3e1d n ALA 117 N -1.19 1.29 -2.21 2.89 0.00 -1.26 -4.89 120.51 115.13 3e1d n ALA 117 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 53.44 52.94 3e1d n ALA 117 Cb 0.05 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.58 3e1d n ALA 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3e1d n MET 118 N -0.14 0.97 0.27 0.00 1.56 -1.11 -4.92 117.12 113.74 3e1d n MET 118 Ca 0.00 -2.75 -0.14 0.00 -0.27 0.00 0.00 57.70 54.54 3e1d n MET 118 Cb 0.33 -0.87 -0.07 0.00 2.15 0.00 0.00 33.22 34.76 3e1d n MET 118 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 3e1d h PHE 119 N 1.26 -1.01 -0.04 1.12 -1.00 -1.91 -3.37 116.94 112.00 3e1d h PHE 119 Ca -0.10 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 3e1d h PHE 119 Cb 1.51 0.38 -0.00 0.00 3.61 0.00 0.00 35.95 41.45 3e1d h PHE 119 CO 0.45 -0.52 -0.14 -2.13 -1.61 0.00 0.00 178.31 174.36 3e1d n ARG 120 N -4.69 1.52 0.21 1.51 0.63 -1.26 -4.70 116.66 109.88 3e1d n ARG 120 Ca -0.10 -2.82 0.06 0.00 -0.92 0.00 0.00 57.85 54.06 3e1d n ARG 120 Cb 0.36 -1.57 0.44 0.00 0.45 0.00 0.00 32.46 32.14 3e1d n ARG 120 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3e1d h LYS 121 N 0.45 0.00 0.00 -0.14 1.63 -1.92 0.25 116.57 116.84 3e1d h LYS 121 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3e1d h LYS 121 Cb 1.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 3e1d h LYS 121 CO 0.04 0.31 0.00 1.47 -3.45 0.00 0.00 179.45 177.81 3e1d n LEU 122 N -3.88 0.00 0.00 5.20 -0.00 -1.26 -4.86 117.00 112.19 3e1d n LEU 122 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3e1d n LEU 122 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 3e1d n LEU 122 CO 0.36 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 178.04 3e1d n LYS 123 N -0.60 0.00 -1.23 1.47 4.76 0.87 -4.01 118.16 119.42 3e1d n LYS 123 Ca 0.04 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 3e1d n LYS 123 Cb 0.02 -0.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.95 3e1d n LYS 123 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3e1d n VAL 124 N 0.00 0.00 -1.66 -0.18 0.24 -1.26 -4.99 118.33 110.47 3e1d n VAL 124 Ca 0.00 0.00 -0.53 0.00 -2.04 0.00 0.00 64.34 61.77 3e1d n VAL 124 Cb 0.00 -1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 31.08 3e1d n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3e1d n TYR 125 N -1.83 1.94 -4.11 6.34 4.02 -1.26 -5.03 117.16 117.22 3e1d n TYR 125 Ca -0.11 0.47 -0.25 0.00 -0.01 0.00 0.00 57.90 58.00 3e1d n TYR 125 Cb 0.46 -2.45 -0.17 0.00 -0.02 0.00 0.00 39.34 37.15 3e1d n TYR 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3e1d s ALA 126 N 2.40 1.18 0.00 -0.72 0.00 -1.26 -4.08 121.76 119.28 3e1d s ALA 126 Ca 0.91 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3e1d s ALA 126 Cb -0.95 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3e1d s ALA 126 CO 0.55 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3e1d n GLY 127 N 4.54 0.00 7.00 0.00 0.00 -0.71 -4.96 105.19 111.06 3e1d n GLY 127 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3e1d n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3e1d n ASN 128 N 0.00 -0.51 0.22 1.61 2.85 -0.32 -2.80 115.26 116.31 3e1d n ASN 128 Ca 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 3e1d n ASN 128 Cb 0.00 0.00 0.85 0.00 1.24 0.00 0.00 39.78 41.87 3e1d n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3e1d h GLU 129 N 0.00 0.00 0.00 1.20 5.08 -2.01 -1.47 114.58 117.38 3e1d h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3e1d h GLU 129 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3e1d h GLU 129 CO 0.00 0.00 0.00 1.25 -1.00 0.00 0.00 179.01 179.26 3e1d h HIS 130 N 0.00 0.00 -0.51 4.33 2.76 -1.99 -3.34 115.15 116.40 3e1d h HIS 130 Ca 0.07 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.90 3e1d h HIS 130 Cb 0.43 0.00 -0.39 0.00 1.55 0.00 0.00 27.41 28.99 3e1d h HIS 130 CO 0.00 0.00 -0.97 -1.71 -1.30 0.00 0.00 177.93 173.95 3e1d n ASN 131 N -2.65 2.86 -2.04 3.26 5.15 -0.56 -4.93 115.26 116.35 3e1d n ASN 131 Ca -0.01 -2.79 -0.06 0.00 -0.60 0.00 0.00 54.58 51.13 3e1d n ASN 131 Cb 0.14 -0.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.89 3e1d n ASN 131 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3e1d n HIS 132 N -0.60 0.00 0.25 1.20 8.25 -1.20 -4.62 115.22 118.51 3e1d n HIS 132 Ca 0.22 -0.89 0.02 0.00 -0.26 0.00 0.00 57.72 56.81 3e1d n HIS 132 Cb 0.88 -0.97 0.12 0.00 1.12 0.00 0.00 29.99 31.14 3e1d n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3e1d n ALA 133 N 2.40 1.65 -0.99 -1.41 0.00 -1.26 -4.80 120.51 116.10 3e1d n ALA 133 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 3e1d n ALA 133 Cb 0.53 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.92 3e1d n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 134 N -1.00 -0.11 -1.73 0.00 0.00 -1.26 -4.97 120.51 111.45 3e1d n ALA 134 Ca 0.03 -0.04 -0.64 0.00 0.00 0.00 0.00 53.44 52.79 3e1d n ALA 134 Cb 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 3e1d n ALA 134 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3e1d n GLN 135 N -1.77 0.45 0.26 0.00 7.27 -1.26 -4.98 117.38 117.35 3e1d n GLN 135 Ca 0.00 0.16 -0.16 0.00 0.07 0.00 0.00 57.00 57.08 3e1d n GLN 135 Cb 0.02 -1.74 -0.08 0.00 2.41 0.00 0.00 30.24 30.85 3e1d n GLN 135 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3e1d h GLN 136 N 5.95 -0.59 -6.52 3.69 1.08 -1.93 -3.44 115.11 113.35 3e1d h GLN 136 Ca -0.44 0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 56.28 3e1d h GLN 136 Cb 1.35 0.13 0.23 0.00 -0.05 0.00 0.00 27.48 29.14 3e1d h GLN 136 CO 0.98 -0.39 -1.13 -2.30 -0.95 0.00 0.00 178.83 175.04 3e1d n PRO 137 N -5.35 -0.43 -2.44 1.46 -0.02 -1.26 -4.79 135.00 122.17 3e1d n PRO 137 Ca -0.11 -0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 60.88 3e1d n PRO 137 Cb 0.26 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3e1d n PRO 137 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3e1d s GLN 138 N -3.09 3.24 0.60 -0.52 -0.21 -1.26 -4.99 119.66 113.43 3e1d s GLN 138 Ca 0.51 -0.59 -0.17 0.00 0.02 0.00 0.00 55.36 55.13 3e1d s GLN 138 Cb -0.16 -4.88 -0.03 0.00 1.00 0.00 0.00 33.01 28.93 3e1d s GLN 138 CO 0.71 -2.40 1.10 0.14 -2.12 0.00 0.00 175.29 172.72 3e1d s VAL 139 N 6.29 3.34 -2.84 1.09 -7.23 -1.26 -5.06 120.40 114.73 3e1d s VAL 139 Ca 0.48 0.71 0.25 0.00 -1.81 0.00 0.00 61.98 61.61 3e1d s VAL 139 Cb -0.04 -3.23 0.30 0.00 0.56 0.00 0.00 36.38 33.97 3e1d s VAL 139 CO 0.01 -0.30 1.41 0.18 -0.31 0.00 0.00 175.10 176.09