#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1p s LEU 3 N 0.00 4.18 -0.09 2.89 1.43 -1.26 -1.56 118.68 124.27 3a1p s LEU 3 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3a1p s LEU 3 Cb 0.00 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3a1p s LEU 3 CO 0.00 0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 176.01 3a1p s VAL 4 N -0.45 1.73 0.11 -1.59 1.01 -0.05 -4.93 120.40 116.23 3a1p s VAL 4 Ca 0.11 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 3a1p s VAL 4 Cb -0.12 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 3a1p s VAL 4 CO 0.02 0.49 1.36 -0.70 0.00 0.00 0.00 175.10 176.27 3a1p s GLU 5 N 0.48 4.34 0.00 2.72 2.12 -1.26 -1.15 118.70 125.94 3a1p s GLU 5 Ca -0.17 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.19 3a1p s GLU 5 Cb -0.17 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3a1p s GLU 5 CO 0.07 -0.41 0.00 0.44 -0.54 0.00 0.00 175.26 174.82 3a1p n ILE 6 N 3.93 0.00 -3.29 -3.70 -5.35 -0.14 -4.93 119.36 105.87 3a1p n ILE 6 Ca 0.11 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3a1p n ILE 6 Cb 0.43 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 3a1p n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1p n GLY 7 N 1.55 -0.87 3.22 3.28 0.00 -1.10 0.52 105.19 111.79 3a1p n GLY 7 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3a1p n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a1p s ARG 8 N -0.58 0.62 0.26 1.61 3.52 0.68 -0.26 118.95 124.79 3a1p s ARG 8 Ca 0.00 -0.14 -0.25 0.00 -0.13 0.00 0.00 55.73 55.21 3a1p s ARG 8 Cb 0.00 0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 33.57 3a1p s ARG 8 CO 0.00 -0.16 0.86 -0.06 -0.81 0.00 0.00 175.30 175.13 3a1p s PHE 9 N -1.16 3.76 0.00 5.12 0.08 -0.77 -0.93 117.98 124.08 3a1p s PHE 9 Ca -0.12 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.61 3a1p s PHE 9 Cb -0.05 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 3a1p s PHE 9 CO 0.04 0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.90 3a1p n GLY 10 N 0.93 2.70 3.77 4.36 0.00 0.26 -1.21 105.19 116.00 3a1p n GLY 10 Ca -0.01 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3a1p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1p s ALA 11 N -2.54 2.73 0.89 4.61 0.00 -1.26 -4.35 121.76 121.83 3a1p s ALA 11 Ca 0.00 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 3a1p s ALA 11 Cb 0.00 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.89 3a1p s ALA 11 CO 0.00 -0.75 1.17 -2.14 0.00 0.00 0.00 175.76 174.04 3a1p s PRO 12 N -3.22 1.17 -0.18 0.00 0.02 -1.26 -2.16 135.00 129.37 3a1p s PRO 12 Ca 0.72 1.63 0.01 0.00 0.02 0.00 0.00 61.00 63.37 3a1p s PRO 12 Cb -0.24 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.57 3a1p s PRO 12 CO 0.28 -2.54 -0.15 -0.47 -0.33 0.00 0.00 177.00 173.78 3a1p s TYR 13 N -2.49 2.51 0.00 6.54 5.04 0.93 -4.75 117.35 125.13 3a1p s TYR 13 Ca 0.69 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.81 3a1p s TYR 13 Cb -0.25 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.32 3a1p s TYR 13 CO 0.56 -0.75 0.00 0.00 -1.34 0.00 0.00 175.55 174.02 3a1p n ALA 14 N 4.68 0.00 -0.14 3.97 0.00 -1.26 -3.76 120.51 124.00 3a1p n ALA 14 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3a1p n ALA 14 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3a1p n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1p n LEU 15 N 0.00 1.59 -0.96 0.00 4.32 -1.26 -4.68 117.00 116.02 3a1p n LEU 15 Ca 0.00 -1.59 0.04 0.00 -0.02 0.00 0.00 56.01 54.44 3a1p n LEU 15 Cb 0.00 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 41.98 3a1p n LEU 15 CO 0.00 0.40 0.59 0.29 -1.22 0.00 0.00 177.39 177.45 3a1p n LYS 16 N -0.37 2.44 -0.05 3.23 5.02 -1.26 -3.28 118.16 123.89 3a1p n LYS 16 Ca 0.00 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 3a1p n LYS 16 Cb 0.25 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3a1p n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1p n GLY 17 N 0.65 1.29 3.66 0.72 0.00 -0.26 -4.37 105.19 106.89 3a1p n GLY 17 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3a1p n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1p n GLY 18 N -2.00 0.31 3.22 -0.02 0.00 -1.25 -4.67 105.19 100.78 3a1p n GLY 18 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 3a1p n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1p s LEU 19 N -0.54 2.01 0.19 0.99 1.43 0.74 -0.05 118.68 123.45 3a1p s LEU 19 Ca 0.56 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3a1p s LEU 19 Cb -0.61 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3a1p s LEU 19 CO 0.62 0.22 1.23 -0.13 0.23 0.00 0.00 176.35 178.52 3a1p s ARG 20 N -0.16 4.46 -0.16 1.70 0.52 -0.92 -0.06 118.95 124.33 3a1p s ARG 20 Ca -0.02 1.94 -0.03 0.00 -0.52 0.00 0.00 55.73 57.11 3a1p s ARG 20 Cb -0.12 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3a1p s ARG 20 CO 0.02 -0.14 -0.06 0.12 0.02 0.00 0.00 175.30 175.26 3a1p s PHE 21 N -0.04 2.95 -0.29 -0.53 5.36 -0.69 0.89 117.98 125.63 3a1p s PHE 21 Ca 0.54 -0.54 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 3a1p s PHE 21 Cb -0.34 -1.96 0.07 0.00 -0.34 0.00 0.00 43.02 40.45 3a1p s PHE 21 CO 0.38 -0.21 -0.05 1.03 -1.46 0.00 0.00 175.22 174.91 3a1p s ARG 22 N 0.63 1.93 0.00 10.12 1.81 -0.11 -4.40 118.95 128.93 3a1p s ARG 22 Ca -0.04 -1.51 0.00 0.00 -1.72 0.00 0.00 55.73 52.46 3a1p s ARG 22 Cb -0.15 -2.98 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 3a1p s ARG 22 CO 0.03 -0.71 0.00 0.41 -0.68 0.00 0.00 175.30 174.35 3a1p n GLY 23 N 4.38 -0.81 3.81 -3.53 0.00 -1.26 -0.23 105.19 107.54 3a1p n GLY 23 Ca -0.07 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3a1p n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1p s GLU 24 N -0.33 4.26 0.45 1.61 0.41 0.18 -4.95 118.70 120.34 3a1p s GLU 24 Ca 0.00 0.82 0.23 0.00 -0.41 0.00 0.00 54.97 55.60 3a1p s GLU 24 Cb 0.00 -3.15 1.23 0.00 -1.78 0.00 0.00 34.13 30.43 3a1p s GLU 24 CO 0.00 0.57 1.65 -1.35 -0.49 0.00 0.00 175.26 175.64 3a1p h PRO 25 N 4.21 0.00 0.00 0.39 0.11 -2.01 -2.67 132.00 132.03 3a1p h PRO 25 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a1p h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3a1p h PRO 25 CO 0.64 0.00 0.28 -0.24 -0.21 0.00 0.00 178.00 178.47 3a1p h VAL 26 N 0.00 0.00 0.00 3.15 3.04 -1.94 -0.10 116.25 120.40 3a1p h VAL 26 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3a1p h VAL 26 Cb 0.44 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 3a1p h VAL 26 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.57 178.18 3a1p h VAL 27 N 0.00 0.00 0.00 1.51 3.04 -1.85 -2.06 116.25 116.88 3a1p h VAL 27 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3a1p h VAL 27 Cb 0.55 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3a1p h VAL 27 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 3a1p n LEU 28 N -2.94 0.48 -0.53 3.16 4.77 -0.05 -3.08 117.00 118.81 3a1p n LEU 28 Ca -0.02 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 3a1p n LEU 28 Cb 0.14 -0.51 0.19 0.00 -2.33 0.00 0.00 43.42 40.91 3a1p n LEU 28 CO 0.21 -0.38 0.61 1.41 -1.33 0.00 0.00 177.39 177.90 3a1p n HIS 29 N -2.01 0.44 -4.23 -1.77 8.25 -0.77 -5.01 115.22 110.12 3a1p n HIS 29 Ca 0.03 -1.08 -0.29 0.00 -0.26 0.00 0.00 57.72 56.12 3a1p n HIS 29 Cb 0.25 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 3a1p n HIS 29 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a1p s LEU 30 N -2.95 3.08 -0.01 2.41 1.43 -1.18 -4.86 118.68 116.60 3a1p s LEU 30 Ca 0.38 -0.41 0.17 0.00 -1.03 0.00 0.00 54.13 53.24 3a1p s LEU 30 Cb 0.32 -1.84 -0.23 0.00 0.03 0.00 0.00 46.19 44.48 3a1p s LEU 30 CO 0.04 0.16 0.54 1.21 0.23 0.00 0.00 176.35 178.53 3a1p n GLU 31 N 0.52 0.98 -3.53 1.70 2.13 -1.26 -4.87 120.64 116.32 3a1p n GLU 31 Ca -0.13 -0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.48 3a1p n GLU 31 Cb 0.53 -1.35 -0.04 0.00 0.27 0.00 0.00 31.44 30.84 3a1p n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3a1p s ARG 32 N -2.90 1.11 0.10 5.31 1.70 -1.26 -1.21 118.95 121.79 3a1p s ARG 32 Ca -0.00 -0.26 0.02 0.00 -0.47 0.00 0.00 55.73 55.03 3a1p s ARG 32 Cb 0.12 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.97 3a1p s ARG 32 CO 0.71 -0.42 -0.08 0.14 -1.08 0.00 0.00 175.30 174.57 3a1p s VAL 33 N -2.71 0.78 -0.25 4.99 -7.23 -0.13 -4.87 120.40 110.97 3a1p s VAL 33 Ca -0.04 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 3a1p s VAL 33 Cb -0.00 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 3a1p s VAL 33 CO -0.04 -0.78 0.08 -0.47 -0.31 0.00 0.00 175.10 173.58 3a1p s TYR 34 N -3.25 3.10 -0.22 2.82 6.14 -0.11 -0.79 117.35 125.03 3a1p s TYR 34 Ca 0.10 -0.43 -0.12 0.00 0.64 0.00 0.00 57.07 57.26 3a1p s TYR 34 Cb 0.03 -2.25 -0.05 0.00 0.42 0.00 0.00 41.96 40.11 3a1p s TYR 34 CO -0.03 -0.37 0.22 0.08 0.64 0.00 0.00 175.55 176.09 3a1p s VAL 35 N 1.62 5.32 -0.31 3.14 1.01 -0.24 -0.34 120.40 130.60 3a1p s VAL 35 Ca 0.06 0.32 -0.44 0.00 0.00 0.00 0.00 61.98 61.92 3a1p s VAL 35 Cb -0.15 -3.56 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 3a1p s VAL 35 CO 0.04 0.33 1.43 1.21 0.00 0.00 0.00 175.10 178.11 3a1p n GLU 36 N 4.24 0.07 -0.62 2.72 2.13 -0.74 0.21 120.64 128.66 3a1p n GLU 36 Ca -0.13 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3a1p n GLU 36 Cb 0.52 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3a1p n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1p n GLY 37 N 3.16 1.33 0.00 8.31 0.00 -1.26 -4.71 105.19 112.02 3a1p n GLY 37 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3a1p n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a1p n HIS 38 N -2.00 0.00 -4.19 1.61 8.25 0.13 -5.15 115.22 113.87 3a1p n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3a1p n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3a1p n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1p n GLY 39 N 0.78 -1.39 3.76 -1.41 0.00 -0.52 -4.83 105.19 101.57 3a1p n GLY 39 Ca 0.00 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3a1p n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a1p s TRP 40 N 0.00 3.03 -0.09 1.61 0.52 -1.26 -1.07 118.94 121.67 3a1p s TRP 40 Ca 0.00 1.22 -0.04 0.00 0.02 0.00 0.00 56.10 57.30 3a1p s TRP 40 Cb 0.00 -3.75 0.04 0.00 -1.15 0.00 0.00 33.47 28.61 3a1p s TRP 40 CO 0.00 -2.26 0.20 1.03 0.02 0.00 0.00 176.95 175.93 3a1p s ARG 41 N -1.08 0.14 0.49 4.98 1.81 0.03 -4.94 118.95 120.39 3a1p s ARG 41 Ca 0.54 0.47 -0.20 0.00 -1.72 0.00 0.00 55.73 54.83 3a1p s ARG 41 Cb -0.41 -0.15 -0.08 0.00 -0.45 0.00 0.00 34.95 33.86 3a1p s ARG 41 CO 0.48 -0.18 1.03 0.00 -0.68 0.00 0.00 175.30 175.95 3a1p s ALA 42 N 1.35 2.89 -0.53 2.13 0.00 -1.26 -0.96 121.76 125.38 3a1p s ALA 42 Ca -0.08 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 3a1p s ALA 42 Cb -0.11 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.83 3a1p s ALA 42 CO -0.07 -0.30 0.76 0.42 0.00 0.00 0.00 175.76 176.57 3a1p s ILE 43 N -2.09 4.67 0.11 0.00 1.01 -0.35 -1.13 121.20 123.42 3a1p s ILE 43 Ca 0.66 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.96 3a1p s ILE 43 Cb -0.15 -4.41 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 3a1p s ILE 43 CO 0.21 -0.96 1.36 -0.33 0.00 0.00 0.00 174.94 175.22 3a1p h GLU 44 N 9.15 0.85 -2.90 2.79 5.08 -1.64 -3.46 114.58 124.44 3a1p h GLU 44 Ca -0.27 -0.61 -0.12 0.00 -1.00 0.00 0.00 59.36 57.36 3a1p h GLU 44 Cb 1.09 0.10 -0.21 0.00 0.50 0.00 0.00 28.75 30.22 3a1p h GLU 44 CO 1.03 1.23 -0.24 0.34 -1.00 0.00 0.00 179.01 180.36 3a1p s ASP 45 N -7.03 -0.29 -0.02 1.42 2.15 -1.16 -5.02 116.67 106.72 3a1p s ASP 45 Ca -0.11 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.22 3a1p s ASP 45 Cb 0.09 0.47 0.03 0.00 -0.30 0.00 0.00 42.92 43.21 3a1p s ASP 45 CO 0.90 -0.36 0.01 -0.22 -0.17 0.00 0.00 175.17 175.33 3a1p s LEU 46 N -0.83 1.19 0.17 -1.34 0.20 -1.26 -0.25 118.68 116.56 3a1p s LEU 46 Ca -0.09 0.00 -0.15 0.00 0.69 0.00 0.00 54.13 54.58 3a1p s LEU 46 Cb -0.04 -0.15 0.02 0.00 -0.43 0.00 0.00 46.19 45.59 3a1p s LEU 46 CO 0.03 -0.10 0.44 -0.72 -0.29 0.00 0.00 176.35 175.71 3a1p s TYR 47 N 0.97 -0.01 0.07 5.38 -0.85 -0.46 -4.98 117.35 117.47 3a1p s TYR 47 Ca -0.09 -0.34 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 3a1p s TYR 47 Cb -0.13 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 3a1p s TYR 47 CO -0.02 -0.83 0.31 0.50 -1.52 0.00 0.00 175.55 173.99 3a1p s ARG 48 N -3.88 3.59 -0.26 -3.49 3.52 -1.26 0.91 118.95 118.08 3a1p s ARG 48 Ca 0.10 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 3a1p s ARG 48 Cb 0.01 -2.99 0.10 0.00 -1.56 0.00 0.00 34.95 30.50 3a1p s ARG 48 CO -0.04 0.57 0.15 0.08 -0.81 0.00 0.00 175.30 175.25 3a1p s VAL 49 N -1.46 -0.14 0.00 7.11 1.01 -0.07 -4.93 120.40 121.93 3a1p s VAL 49 Ca 0.34 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3a1p s VAL 49 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3a1p s VAL 49 CO 0.21 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.36 3a1p n GLY 50 N 5.27 3.31 0.03 4.51 0.00 -1.26 -1.53 105.19 115.51 3a1p n GLY 50 Ca -0.06 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3a1p n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a1p n GLU 51 N 13.40 0.15 -3.45 1.61 1.02 -1.26 -4.95 120.64 127.16 3a1p n GLU 51 Ca 0.00 0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 3a1p n GLU 51 Cb 0.00 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 3a1p n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3a1p s GLU 52 N -3.09 3.50 -0.09 3.49 0.41 -0.58 -5.10 118.70 117.24 3a1p s GLU 52 Ca 0.08 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 3a1p s GLU 52 Cb 0.16 -2.69 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 3a1p s GLU 52 CO 0.73 0.20 -0.08 -0.51 -0.49 0.00 0.00 175.26 175.10 3a1p s LEU 53 N -4.15 3.09 -0.13 1.80 1.43 -1.26 -0.89 118.68 118.57 3a1p s LEU 53 Ca 0.40 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3a1p s LEU 53 Cb -0.10 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3a1p s LEU 53 CO 0.34 0.31 -0.19 -0.69 0.23 0.00 0.00 176.35 176.36 3a1p s VAL 54 N -0.50 2.47 0.01 -1.59 1.01 0.26 -1.70 120.40 120.35 3a1p s VAL 54 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3a1p s VAL 54 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3a1p s VAL 54 CO 0.02 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3a1p s VAL 55 N 0.55 4.08 -0.20 2.92 1.01 0.91 -1.36 120.40 128.32 3a1p s VAL 55 Ca -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3a1p s VAL 55 Cb -0.16 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3a1p s VAL 55 CO 0.04 0.36 -0.18 -1.00 0.00 0.00 0.00 175.10 174.32 3a1p s HIS 56 N -1.09 2.88 0.14 5.22 3.76 0.65 -0.19 115.29 126.66 3a1p s HIS 56 Ca 0.20 -1.76 0.04 0.00 -0.15 0.00 0.00 55.06 53.39 3a1p s HIS 56 Cb -0.11 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 3a1p s HIS 56 CO 0.11 -0.82 0.13 -0.51 -0.85 0.00 0.00 174.74 172.80 3a1p s LEU 57 N 1.26 3.84 0.20 0.89 1.43 -1.26 -1.73 118.68 123.30 3a1p s LEU 57 Ca 0.02 -0.08 -0.32 0.00 -1.03 0.00 0.00 54.13 52.72 3a1p s LEU 57 Cb -0.14 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.50 3a1p s LEU 57 CO -0.11 0.09 1.72 0.00 0.23 0.00 0.00 176.35 178.28 3a1p s ALA 58 N -1.66 3.91 0.00 4.21 0.00 -0.28 -1.68 121.76 126.27 3a1p s ALA 58 Ca 0.31 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3a1p s ALA 58 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a1p s ALA 58 CO 0.23 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3a1p n GLY 59 N 3.99 0.74 3.02 0.00 0.00 -1.26 -4.77 105.19 106.92 3a1p n GLY 59 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3a1p n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1p s VAL 60 N -2.90 3.70 -0.10 1.61 1.01 -0.67 -4.93 120.40 118.12 3a1p s VAL 60 Ca 0.00 -3.93 -0.12 0.00 0.00 0.00 0.00 61.98 57.93 3a1p s VAL 60 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 3a1p s VAL 60 CO 0.00 -1.03 0.36 0.74 0.00 0.00 0.00 175.10 175.17 3a1p h THR 61 N 4.34 0.65 -5.22 3.92 2.02 -1.83 -3.40 112.91 113.39 3a1p h THR 61 Ca 0.13 -1.41 -0.52 0.00 0.77 0.00 0.00 66.41 65.38 3a1p h THR 61 Cb 0.80 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.35 3a1p h THR 61 CO 0.79 0.21 -0.32 -0.90 0.37 0.00 0.00 175.52 175.67 3a1p n ASP 62 N -4.76 2.82 -0.25 4.18 5.68 -1.26 -1.10 116.55 121.87 3a1p n ASP 62 Ca -0.04 -2.72 -0.06 0.00 -0.50 0.00 0.00 54.79 51.47 3a1p n ASP 62 Cb 0.19 0.13 0.05 0.00 -1.14 0.00 0.00 41.12 40.35 3a1p n ASP 62 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3a1p h ARG 63 N 0.00 0.93 -0.92 0.11 2.43 -1.83 -2.35 114.38 112.75 3a1p h ARG 63 Ca -0.32 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 3a1p h ARG 63 Cb 1.07 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 3a1p h ARG 63 CO 0.52 0.67 0.59 1.15 -1.51 0.00 0.00 179.97 181.39 3a1p h THR 64 N 0.93 1.10 0.00 0.20 2.02 -1.97 0.11 112.91 115.30 3a1p h THR 64 Ca 0.25 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3a1p h THR 64 Cb -0.02 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3a1p h THR 64 CO -0.05 0.20 -0.32 -0.07 0.37 0.00 0.00 175.52 175.65 3a1p h LEU 65 N 1.10 0.00 0.25 2.58 3.38 -1.86 -3.01 115.31 117.75 3a1p h LEU 65 Ca 0.39 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.02 3a1p h LEU 65 Cb 0.11 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.89 3a1p h LEU 65 CO -0.15 0.32 -1.48 0.00 0.09 0.00 0.00 178.44 177.22 3a1p h ALA 66 N 1.68 -0.14 -0.86 1.53 0.00 -0.68 -3.31 119.26 117.47 3a1p h ALA 66 Ca -0.00 -0.87 0.18 0.00 0.00 0.00 0.00 54.91 54.22 3a1p h ALA 66 Cb 0.58 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3a1p h ALA 66 CO 0.04 0.72 0.57 1.49 0.00 0.00 0.00 179.25 182.07 3a1p h GLU 67 N 0.14 0.43 0.00 0.00 4.57 -0.72 0.52 114.58 119.52 3a1p h GLU 67 Ca -0.25 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.86 3a1p h GLU 67 Cb 2.16 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.65 3a1p h GLU 67 CO 0.27 0.28 -0.20 0.00 -1.18 0.00 0.00 179.01 178.19 3a1p h ALA 68 N 1.62 1.39 -0.00 2.92 0.00 -1.63 -2.63 119.26 120.93 3a1p h ALA 68 Ca 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3a1p h ALA 68 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a1p h ALA 68 CO -0.17 0.25 -0.52 1.28 0.00 0.00 0.00 179.25 180.09 3a1p n LEU 69 N -3.90 0.77 -4.64 0.00 4.77 0.15 -4.92 117.00 109.23 3a1p n LEU 69 Ca -0.02 -0.17 -0.48 0.00 -0.03 0.00 0.00 56.01 55.31 3a1p n LEU 69 Cb 0.29 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3a1p n LEU 69 CO 0.34 0.17 1.08 0.52 -1.33 0.00 0.00 177.39 178.17 3a1p n VAL 70 N -1.24 0.11 -0.22 4.08 0.31 -0.99 -1.37 118.33 119.01 3a1p n VAL 70 Ca 0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3a1p n VAL 70 Cb 0.34 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3a1p n VAL 70 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a1p n GLY 71 N 3.01 1.90 3.78 2.92 0.00 -0.35 -4.98 105.19 111.48 3a1p n GLY 71 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3a1p n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1p s LEU 72 N 0.00 4.36 0.32 0.99 1.43 -0.47 -4.72 118.68 120.58 3a1p s LEU 72 Ca 0.00 1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3a1p s LEU 72 Cb 0.00 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 3a1p s LEU 72 CO 0.00 -0.05 1.08 -0.13 0.23 0.00 0.00 176.35 177.48 3a1p s ARG 73 N -2.00 4.47 -0.12 1.70 0.52 -1.26 -1.85 118.95 120.41 3a1p s ARG 73 Ca 0.49 1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 57.39 3a1p s ARG 73 Cb -0.19 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3a1p s ARG 73 CO 0.24 0.09 -0.10 0.08 0.02 0.00 0.00 175.30 175.62 3a1p s VAL 74 N -1.33 3.31 0.36 3.52 1.01 0.63 -1.79 120.40 126.11 3a1p s VAL 74 Ca 0.49 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3a1p s VAL 74 Cb -0.28 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 3a1p s VAL 74 CO 0.36 0.53 -0.07 -0.31 0.00 0.00 0.00 175.10 175.61 3a1p s TYR 75 N 0.14 2.41 0.07 5.22 1.51 0.54 -0.97 117.35 126.25 3a1p s TYR 75 Ca -0.05 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3a1p s TYR 75 Cb -0.15 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 3a1p s TYR 75 CO 0.04 0.54 -0.05 0.00 -1.11 0.00 0.00 175.55 174.96 3a1p s ALA 76 N -2.66 0.67 0.02 3.71 0.00 -0.30 -0.94 121.76 122.27 3a1p s ALA 76 Ca 0.33 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 3a1p s ALA 76 Cb 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3a1p s ALA 76 CO 0.17 -0.23 0.83 -2.00 0.00 0.00 0.00 175.76 174.53 3a1p s GLU 77 N -3.22 4.53 0.26 0.00 2.56 -1.26 -0.87 118.70 120.71 3a1p s GLU 77 Ca 0.04 1.17 -0.02 0.00 0.00 0.00 0.00 54.97 56.16 3a1p s GLU 77 Cb 0.02 -3.40 0.56 0.00 2.00 0.00 0.00 34.13 33.30 3a1p s GLU 77 CO -0.05 0.15 1.68 0.28 -0.56 0.00 0.00 175.26 176.76 3a1p h VAL 78 N 4.39 0.47 0.00 3.70 2.07 -1.65 0.73 116.25 125.96 3a1p h VAL 78 Ca -0.42 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3a1p h VAL 78 Cb 1.21 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3a1p h VAL 78 CO 0.73 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.37 3a1p h ALA 79 N 1.66 1.00 0.00 1.67 0.00 -1.92 -2.40 119.26 119.28 3a1p h ALA 79 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 3a1p h ALA 79 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3a1p h ALA 79 CO -0.55 0.00 -1.27 -0.25 0.00 0.00 0.00 179.25 177.19 3a1p n ASP 80 N -2.49 0.76 -4.69 0.00 8.00 0.24 -4.95 116.55 113.44 3a1p n ASP 80 Ca -0.01 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.39 3a1p n ASP 80 Cb 0.10 0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 3a1p n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a1p n LEU 81 N -2.72 3.69 -4.72 0.64 4.77 -0.90 -4.91 117.00 112.85 3a1p n LEU 81 Ca -0.05 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.65 3a1p n LEU 81 Cb 0.67 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 3a1p n LEU 81 CO 0.42 -0.70 0.94 -2.16 -1.33 0.00 0.00 177.39 174.56 3a1p s PRO 82 N -2.07 4.41 0.52 3.23 0.04 -1.26 -4.98 135.00 134.89 3a1p s PRO 82 Ca 0.59 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 63.33 3a1p s PRO 82 Cb -0.54 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 3a1p s PRO 82 CO 0.59 -0.25 1.34 -2.14 0.04 0.00 0.00 177.00 176.58 3a1p s PRO 83 N 0.53 3.29 0.37 0.56 0.02 -1.26 -5.02 135.00 133.50 3a1p s PRO 83 Ca 0.58 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.83 3a1p s PRO 83 Cb -0.33 -2.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.84 3a1p s PRO 83 CO 0.33 -1.06 0.56 -0.51 -0.33 0.00 0.00 177.00 176.00 3a1p s LEU 84 N -3.35 3.90 1.09 -5.54 1.43 -1.26 -5.10 118.68 109.85 3a1p s LEU 84 Ca 0.69 0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 3a1p s LEU 84 Cb -0.39 -3.13 0.24 0.00 0.03 0.00 0.00 46.19 42.94 3a1p s LEU 84 CO 0.47 -0.45 1.18 -1.83 0.23 0.00 0.00 176.35 175.96 3a1p s GLU 85 N -4.35 -0.33 0.28 1.70 -1.05 -1.26 -4.93 118.70 108.75 3a1p s GLU 85 Ca 0.43 -0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.83 3a1p s GLU 85 Cb -0.10 -1.71 -0.10 0.00 -0.44 0.00 0.00 34.13 31.79 3a1p s GLU 85 CO 0.35 -3.11 1.42 -2.00 0.95 0.00 0.00 175.26 172.87 3a1p s GLU 86 N -5.54 4.27 0.00 -4.83 2.56 -1.26 -2.82 118.70 111.08 3a1p s GLU 86 Ca 0.71 2.32 0.00 0.00 0.00 0.00 0.00 54.97 58.00 3a1p s GLU 86 Cb -0.08 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3a1p s GLU 86 CO 0.55 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 175.27 3a1p n GLY 87 N 1.72 0.78 3.36 -1.50 0.00 -1.26 -5.05 105.19 103.24 3a1p n GLY 87 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3a1p n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1p s ARG 88 N -0.38 1.41 0.06 1.61 0.52 -1.13 -5.13 118.95 115.91 3a1p s ARG 88 Ca 0.00 -1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 53.89 3a1p s ARG 88 Cb 0.00 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 3a1p s ARG 88 CO 0.00 0.44 0.07 0.71 0.02 0.00 0.00 175.30 176.54 3a1p s TYR 89 N -1.03 0.31 0.03 -0.53 2.02 -1.26 -4.77 117.35 112.12 3a1p s TYR 89 Ca 0.12 -0.74 -0.23 0.00 -0.37 0.00 0.00 57.07 55.85 3a1p s TYR 89 Cb -0.10 -0.22 -0.06 0.00 -0.40 0.00 0.00 41.96 41.19 3a1p s TYR 89 CO 0.05 -0.41 0.69 0.71 -1.57 0.00 0.00 175.55 175.01 3a1p s TYR 90 N -3.42 3.73 0.23 2.71 1.51 -1.26 -4.97 117.35 115.88 3a1p s TYR 90 Ca 0.02 1.36 -0.12 0.00 -1.01 0.00 0.00 57.07 57.32 3a1p s TYR 90 Cb 0.04 -2.72 0.30 0.00 -0.11 0.00 0.00 41.96 39.48 3a1p s TYR 90 CO -0.08 0.33 1.60 1.88 -1.11 0.00 0.00 175.55 178.17 3a1p h TYR 91 N 5.53 -0.42 -0.04 2.71 -1.99 -2.01 0.14 116.97 120.90 3a1p h TYR 91 Ca -0.45 0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.36 3a1p h TYR 91 Cb 1.20 0.30 -0.00 0.00 2.00 0.00 0.00 36.73 40.24 3a1p h TYR 91 CO 0.65 -0.33 0.06 0.27 -0.00 0.00 0.00 178.16 178.81 3a1p h PHE 92 N -0.01 0.00 0.01 4.88 -5.15 -1.93 0.71 116.94 115.46 3a1p h PHE 92 Ca 0.36 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.93 3a1p h PHE 92 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.70 3a1p h PHE 92 CO -0.60 0.00 -0.94 0.00 -2.00 0.00 0.00 178.31 174.76 3a1p h ALA 93 N 1.92 0.45 0.14 12.09 0.00 -1.11 -3.34 119.26 129.40 3a1p h ALA 93 Ca 0.02 -0.82 -0.35 0.00 0.00 0.00 0.00 54.91 53.76 3a1p h ALA 93 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3a1p h ALA 93 CO -0.00 1.10 -1.85 -0.07 0.00 0.00 0.00 179.25 178.43 3a1p h LEU 94 N 0.02 0.45 -9.45 0.00 3.38 -0.96 -3.44 115.31 105.32 3a1p h LEU 94 Ca -0.03 -0.92 -0.53 0.00 0.09 0.00 0.00 57.88 56.49 3a1p h LEU 94 Cb 1.64 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 42.27 3a1p h LEU 94 CO 0.13 1.81 1.11 -0.63 0.09 0.00 0.00 178.44 180.94 3a1p s ILE 95 N -2.55 2.83 0.00 1.22 1.01 0.11 -1.92 121.20 121.90 3a1p s ILE 95 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3a1p s ILE 95 Cb 0.06 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3a1p s ILE 95 CO 0.78 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.33 3a1p n GLY 96 N 4.23 2.46 3.77 6.18 0.00 0.09 -4.88 105.19 117.04 3a1p n GLY 96 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3a1p n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1p s LEU 97 N 0.00 4.42 0.46 0.99 1.43 -0.81 -4.72 118.68 120.45 3a1p s LEU 97 Ca 0.00 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.43 3a1p s LEU 97 Cb 0.00 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3a1p s LEU 97 CO 0.00 -0.47 1.08 -2.16 0.23 0.00 0.00 176.35 175.03 3a1p s PRO 98 N -1.78 3.87 -0.15 1.29 0.04 -1.26 -1.88 135.00 135.13 3a1p s PRO 98 Ca 0.49 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 3a1p s PRO 98 Cb -0.37 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 3a1p s PRO 98 CO 0.48 -0.40 -0.09 0.08 0.04 0.00 0.00 177.00 177.12 3a1p s VAL 99 N -1.76 3.39 0.25 -0.36 1.01 0.55 -1.86 120.40 121.62 3a1p s VAL 99 Ca 0.64 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 62.19 3a1p s VAL 99 Cb -0.22 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3a1p s VAL 99 CO 0.26 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.42 3a1p s TYR 100 N 0.47 2.46 -0.10 5.22 1.51 0.21 -0.69 117.35 126.43 3a1p s TYR 100 Ca -0.07 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3a1p s TYR 100 Cb -0.15 -1.12 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 3a1p s TYR 100 CO 0.04 0.63 0.13 0.08 -1.11 0.00 0.00 175.55 175.32 3a1p s VAL 101 N -2.22 -0.21 -1.50 0.71 1.01 -0.20 -0.83 120.40 117.16 3a1p s VAL 101 Ca 0.28 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3a1p s VAL 101 Cb -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.00 3a1p s VAL 101 CO 0.16 0.06 0.53 -0.62 0.00 0.00 0.00 175.10 175.23 3a1p n GLU 102 N 5.31 -4.32 -0.91 2.72 -0.58 -1.26 -1.53 120.64 120.06 3a1p n GLU 102 Ca -0.05 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3a1p n GLU 102 Cb 0.50 -5.63 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 3a1p n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1p n GLY 103 N -1.40 0.92 3.49 0.62 0.00 -1.26 -5.02 105.19 102.54 3a1p n GLY 103 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3a1p n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1p s ARG 104 N -0.09 3.35 -0.03 1.61 0.52 -0.58 -5.08 118.95 118.65 3a1p s ARG 104 Ca 0.00 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3a1p s ARG 104 Cb 0.00 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 3a1p s ARG 104 CO 0.00 0.36 1.34 -1.14 0.02 0.00 0.00 175.30 175.88 3a1p s GLN 105 N 0.02 4.29 -0.00 3.54 0.74 -1.26 -1.04 119.66 125.96 3a1p s GLN 105 Ca -0.01 1.87 0.06 0.00 0.05 0.00 0.00 55.36 57.32 3a1p s GLN 105 Cb -0.14 -3.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.30 3a1p s GLN 105 CO 0.03 -0.56 0.23 1.33 -0.55 0.00 0.00 175.29 175.76 3a1p n VAL 106 N 4.75 0.00 -3.09 1.34 0.24 0.13 -4.88 118.33 116.81 3a1p n VAL 106 Ca 0.13 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3a1p n VAL 106 Cb 0.44 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 3a1p n VAL 106 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1p n GLY 107 N 1.29 1.46 3.22 7.63 0.00 -0.98 -2.07 105.19 115.74 3a1p n GLY 107 Ca 0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3a1p n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a1p s GLU 108 N -0.75 0.35 -0.07 1.61 2.12 0.08 -0.33 118.70 121.70 3a1p s GLU 108 Ca 0.00 0.74 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 3a1p s GLU 108 Cb 0.00 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.30 3a1p s GLU 108 CO 0.00 -0.16 1.67 0.08 -0.54 0.00 0.00 175.26 176.31 3a1p s VAL 109 N 1.41 3.57 -0.56 3.70 1.01 -0.79 -0.35 120.40 128.39 3a1p s VAL 109 Ca -0.09 0.68 0.12 0.00 0.00 0.00 0.00 61.98 62.68 3a1p s VAL 109 Cb -0.09 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 3a1p s VAL 109 CO -0.12 -0.08 0.50 1.33 0.00 0.00 0.00 175.10 176.73 3a1p n VAL 110 N 5.61 0.00 -3.61 2.92 0.24 -0.15 -0.73 118.33 122.61 3a1p n VAL 110 Ca 0.18 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.24 3a1p n VAL 110 Cb 0.43 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 3a1p n VAL 110 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a1p s ASP 111 N -2.12 -0.09 -0.04 -1.34 2.15 -1.15 -4.94 116.67 109.14 3a1p s ASP 111 Ca 0.04 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 52.98 3a1p s ASP 111 Cb 0.09 0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.86 3a1p s ASP 111 CO 0.49 -0.25 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.54 3a1p s ILE 112 N -2.39 0.67 -0.21 4.11 1.01 -1.26 -0.65 121.20 122.47 3a1p s ILE 112 Ca 0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3a1p s ILE 112 Cb 0.02 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 3a1p s ILE 112 CO -0.04 0.24 0.12 -0.22 0.00 0.00 0.00 174.94 175.04 3a1p s LEU 113 N 0.63 4.05 -0.73 2.97 2.96 -0.07 -4.93 118.68 123.56 3a1p s LEU 113 Ca -0.09 0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.72 3a1p s LEU 113 Cb -0.13 -2.06 0.07 0.00 0.50 0.00 0.00 46.19 44.58 3a1p s LEU 113 CO 0.01 0.13 1.08 -0.62 -1.32 0.00 0.00 176.35 175.63 3a1p s ASP 114 N 0.64 6.25 0.00 3.68 -1.08 -1.26 -1.17 116.67 123.72 3a1p s ASP 114 Ca 0.06 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.25 3a1p s ASP 114 Cb -0.12 -2.45 0.77 0.00 -1.46 0.00 0.00 42.92 39.65 3a1p s ASP 114 CO 0.01 -1.48 1.56 0.00 0.52 0.00 0.00 175.17 175.78 3a1p n ALA 115 N 7.96 2.53 0.00 3.66 0.00 -0.97 -5.01 120.51 128.68 3a1p n ALA 115 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3a1p n ALA 115 Cb 0.47 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3a1p n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1p n GLY 116 N 1.11 1.08 0.20 0.00 0.00 -1.26 -4.56 105.19 101.76 3a1p n GLY 116 Ca 0.16 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.50 3a1p n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1p h ALA 117 N 0.00 0.97 -2.29 4.61 0.00 -2.01 -3.45 119.26 117.09 3a1p h ALA 117 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 3a1p h ALA 117 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 3a1p h ALA 117 CO 0.00 0.41 -0.65 -0.65 0.00 0.00 0.00 179.25 178.36 3a1p s GLN 118 N -3.55 1.20 -0.14 0.00 -0.21 -1.26 -5.08 119.66 110.61 3a1p s GLN 118 Ca 0.01 -1.60 -0.02 0.00 0.02 0.00 0.00 55.36 53.77 3a1p s GLN 118 Cb 0.10 -0.30 -0.02 0.00 1.00 0.00 0.00 33.01 33.79 3a1p s GLN 118 CO 0.67 -0.16 -0.06 -0.51 -2.12 0.00 0.00 175.29 173.11 3a1p s ASP 119 N -3.22 4.58 -0.26 5.90 1.01 -1.26 -2.28 116.67 121.14 3a1p s ASP 119 Ca 0.27 -0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.29 3a1p s ASP 119 Cb 0.06 -1.70 -0.02 0.00 1.01 0.00 0.00 42.92 42.28 3a1p s ASP 119 CO 0.07 0.18 0.07 -0.69 0.21 0.00 0.00 175.17 175.01 3a1p s VAL 120 N 0.28 4.24 0.20 -1.27 1.01 -0.32 -0.68 120.40 123.86 3a1p s VAL 120 Ca -0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3a1p s VAL 120 Cb -0.14 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 3a1p s VAL 120 CO 0.04 0.28 1.18 -0.76 0.00 0.00 0.00 175.10 175.84 3a1p s LEU 121 N 1.59 4.46 -0.31 3.92 1.43 0.59 -0.89 118.68 129.48 3a1p s LEU 121 Ca 0.06 2.23 -0.05 0.00 -1.03 0.00 0.00 54.13 55.34 3a1p s LEU 121 Cb -0.15 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.49 3a1p s LEU 121 CO 0.03 -0.34 0.07 -0.63 0.23 0.00 0.00 176.35 175.71 3a1p s ILE 122 N -0.21 3.63 -0.16 -0.59 1.01 0.18 -1.46 121.20 123.59 3a1p s ILE 122 Ca 0.51 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 3a1p s ILE 122 Cb -0.32 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3a1p s ILE 122 CO 0.37 -0.06 -0.00 -0.63 0.00 0.00 0.00 174.94 174.62 3a1p s ILE 123 N 1.40 4.18 -0.28 2.92 1.01 0.14 -0.98 121.20 129.59 3a1p s ILE 123 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3a1p s ILE 123 Cb -0.19 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 3a1p s ILE 123 CO 0.01 0.48 0.39 -0.60 0.00 0.00 0.00 174.94 175.23 3a1p s ARG 124 N 0.37 3.93 0.73 2.79 6.06 0.53 -0.70 118.95 132.67 3a1p s ARG 124 Ca -0.02 -0.01 -0.14 0.00 -2.50 0.00 0.00 55.73 53.06 3a1p s ARG 124 Cb -0.14 -3.69 0.04 0.00 0.06 0.00 0.00 34.95 31.23 3a1p s ARG 124 CO 0.02 -0.34 1.14 0.20 -2.50 0.00 0.00 175.30 173.82 3a1p s GLY 125 N 1.66 2.09 -0.05 8.12 0.00 -0.90 -0.74 107.32 117.49 3a1p s GLY 125 Ca 0.15 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.50 3a1p s GLY 125 CO 0.10 0.99 -0.06 -1.34 0.00 0.00 0.00 173.10 172.80 3a1p s VAL 126 N -2.35 0.65 -2.17 1.40 -7.23 -0.88 -4.38 120.40 105.45 3a1p s VAL 126 Ca 0.68 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 3a1p s VAL 126 Cb -0.23 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.06 3a1p s VAL 126 CO 0.47 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 176.12 3a1p n GLY 127 N 3.97 -1.57 0.06 2.32 0.00 -1.26 -4.73 105.19 103.98 3a1p n GLY 127 Ca -0.25 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 3a1p n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a1p h GLU 128 N 0.00 0.00 -6.97 1.61 5.08 -2.00 -3.47 114.58 108.84 3a1p h GLU 128 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3a1p h GLU 128 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 3a1p h GLU 128 CO 0.00 0.44 0.66 1.03 -1.00 0.00 0.00 179.01 180.14 3a1p s ARG 129 N -1.89 3.81 0.51 2.33 1.81 -1.26 -4.89 118.95 119.38 3a1p s ARG 129 Ca -0.10 2.28 0.25 0.00 -1.72 0.00 0.00 55.73 56.44 3a1p s ARG 129 Cb -0.01 -2.70 1.40 0.00 -0.45 0.00 0.00 34.95 33.19 3a1p s ARG 129 CO 0.31 -0.66 2.08 1.25 -0.68 0.00 0.00 175.30 177.60 3a1p h LEU 130 N 2.48 0.00 -1.40 2.53 5.85 -1.99 -1.98 115.31 120.79 3a1p h LEU 130 Ca -0.50 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 3a1p h LEU 130 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3a1p h LEU 130 CO 0.62 0.12 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.45 3a1p h ARG 131 N 0.00 0.00 0.00 1.25 2.43 -1.98 -2.32 114.38 113.76 3a1p h ARG 131 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a1p h ARG 131 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3a1p h ARG 131 CO 0.02 0.30 0.00 -0.25 -1.51 0.00 0.00 179.97 178.52 3a1p n ASP 132 N -4.18 0.81 -1.53 -3.80 8.00 -0.74 -3.47 116.55 111.64 3a1p n ASP 132 Ca -0.02 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.16 3a1p n ASP 132 Cb 0.34 -0.81 0.33 0.00 -0.02 0.00 0.00 41.12 40.97 3a1p n ASP 132 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a1p n ARG 133 N -2.29 3.67 -1.18 -1.24 1.74 -0.87 -3.14 116.66 113.35 3a1p n ARG 133 Ca 0.05 -2.65 -0.29 0.00 -0.77 0.00 0.00 57.85 54.19 3a1p n ARG 133 Cb 0.39 -1.90 0.16 0.00 -1.02 0.00 0.00 32.46 30.09 3a1p n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a1p s ALA 134 N -1.95 1.23 -0.23 7.54 0.00 -1.23 -3.95 121.76 123.18 3a1p s ALA 134 Ca 0.47 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 3a1p s ALA 134 Cb 0.31 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3a1p s ALA 134 CO 0.21 -2.61 0.28 -2.00 0.00 0.00 0.00 175.76 171.64 3a1p s GLU 135 N -4.94 4.11 0.04 0.00 2.12 -1.26 -2.11 118.70 116.65 3a1p s GLU 135 Ca 0.64 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 56.00 3a1p s GLU 135 Cb -0.18 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3a1p s GLU 135 CO 0.57 -0.02 -0.17 1.03 -0.54 0.00 0.00 175.26 176.14 3a1p s ARG 136 N 1.27 2.11 -0.08 4.30 1.81 0.13 -4.94 118.95 123.54 3a1p s ARG 136 Ca 0.13 -0.96 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 3a1p s ARG 136 Cb -0.14 -2.21 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 3a1p s ARG 136 CO 0.07 0.55 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.62 3a1p s LEU 137 N -1.43 2.93 -0.05 2.53 1.02 -1.26 0.27 118.68 122.69 3a1p s LEU 137 Ca 0.15 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.12 3a1p s LEU 137 Cb -0.11 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.50 3a1p s LEU 137 CO 0.05 0.29 0.11 -0.69 0.02 0.00 0.00 176.35 176.13 3a1p s VAL 138 N -0.41 -0.05 -0.03 -1.59 1.01 -0.53 -4.97 120.40 113.82 3a1p s VAL 138 Ca 0.05 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3a1p s VAL 138 Cb -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3a1p s VAL 138 CO 0.02 0.07 1.50 -2.84 0.00 0.00 0.00 175.10 173.85 3a1p s PRO 139 N 0.99 4.23 0.16 2.72 0.02 -1.26 -0.30 135.00 141.56 3a1p s PRO 139 Ca -0.08 2.05 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 3a1p s PRO 139 Cb -0.10 -3.75 0.07 0.00 0.02 0.00 0.00 34.50 30.73 3a1p s PRO 139 CO -0.04 -0.71 1.80 1.25 -0.33 0.00 0.00 177.00 178.96 3a1p h LEU 140 N 9.25 0.39 0.00 -5.54 5.85 -1.27 -2.35 115.31 121.63 3a1p h LEU 140 Ca -0.37 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3a1p h LEU 140 Cb 1.17 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3a1p h LEU 140 CO 0.93 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 179.31 3a1p n GLN 141 N -4.86 0.63 -2.49 1.25 3.00 -1.26 -4.75 117.38 108.90 3a1p n GLN 141 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 3a1p n GLN 141 Cb 0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 3a1p n GLN 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3a1p s ALA 142 N -2.00 3.07 0.37 -1.58 0.00 -0.89 -4.93 121.76 115.80 3a1p s ALA 142 Ca 0.09 0.75 0.24 0.00 0.00 0.00 0.00 51.96 53.03 3a1p s ALA 142 Cb 0.04 -3.29 1.23 0.00 0.00 0.00 0.00 23.12 21.09 3a1p s ALA 142 CO 0.07 -0.30 1.99 -1.00 0.00 0.00 0.00 175.76 176.52 3a1p h PRO 143 N 2.42 0.00 -0.13 0.00 0.13 -1.90 -2.42 132.00 130.10 3a1p h PRO 143 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3a1p h PRO 143 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3a1p h PRO 143 CO 0.62 0.18 0.00 2.48 -0.23 0.00 0.00 178.00 181.05 3a1p n TYR 144 N -3.73 0.11 -4.66 1.56 4.11 -1.26 -4.72 117.16 108.56 3a1p n TYR 144 Ca -0.02 -0.05 -0.33 0.00 -0.00 0.00 0.00 57.90 57.50 3a1p n TYR 144 Cb 0.29 -0.01 -0.14 0.00 -0.00 0.00 0.00 39.34 39.48 3a1p n TYR 144 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3a1p s VAL 145 N -1.86 3.22 -0.12 -3.48 1.01 -0.91 -0.81 120.40 117.45 3a1p s VAL 145 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3a1p s VAL 145 Cb 0.03 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3a1p s VAL 145 CO 0.03 0.51 -0.23 -0.60 0.00 0.00 0.00 175.10 174.82 3a1p s ARG 146 N 0.40 3.05 -0.24 2.72 3.52 0.23 -4.88 118.95 123.76 3a1p s ARG 146 Ca -0.09 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.59 3a1p s ARG 146 Cb -0.15 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 3a1p s ARG 146 CO 0.05 0.10 0.03 0.08 -0.81 0.00 0.00 175.30 174.74 3a1p s VAL 147 N 0.55 3.97 0.53 7.11 1.01 -1.26 -0.19 120.40 132.12 3a1p s VAL 147 Ca -0.14 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3a1p s VAL 147 Cb -0.17 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3a1p s VAL 147 CO 0.04 0.37 0.45 -0.62 0.00 0.00 0.00 175.10 175.34 3a1p n GLU 148 N 4.85 0.70 -0.31 2.72 -0.58 -0.10 -5.03 120.64 122.89 3a1p n GLU 148 Ca -0.17 -3.23 -0.03 0.00 -0.42 0.00 0.00 57.16 53.31 3a1p n GLU 148 Cb 0.51 0.26 0.09 0.00 -0.57 0.00 0.00 31.44 31.73 3a1p n GLU 148 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3a1p h GLU 149 N 0.00 1.08 -0.16 3.49 4.11 -2.02 -3.29 114.58 117.78 3a1p h GLU 149 Ca -0.32 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 58.87 3a1p h GLU 149 Cb 1.21 -0.24 -0.27 0.00 0.50 0.00 0.00 28.75 29.95 3a1p h GLU 149 CO 0.50 0.71 -0.85 0.41 0.07 0.00 0.00 179.01 179.86 3a1p n GLY 150 N -1.33 3.19 3.61 1.06 0.00 -1.26 -5.08 105.19 105.38 3a1p n GLY 150 Ca 0.09 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 3a1p n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a1p s SER 151 N -2.89 -0.15 -0.05 1.61 1.04 -1.24 -4.47 113.70 107.54 3a1p s SER 151 Ca 0.36 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.74 3a1p s SER 151 Cb 0.38 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3a1p s SER 151 CO -0.09 -0.39 -0.15 -0.63 0.98 0.00 0.00 173.24 172.96 3a1p s ILE 152 N -2.62 1.28 -0.10 -1.02 1.01 -0.78 -0.92 121.20 118.05 3a1p s ILE 152 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3a1p s ILE 152 Cb 0.01 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 3a1p s ILE 152 CO -0.04 0.38 -0.22 -1.00 0.00 0.00 0.00 174.94 174.05 3a1p s HIS 153 N 0.22 2.59 -0.11 3.97 3.76 0.74 0.66 115.29 127.12 3a1p s HIS 153 Ca -0.07 -0.96 0.03 0.00 -0.15 0.00 0.00 55.06 53.91 3a1p s HIS 153 Cb -0.12 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.85 3a1p s HIS 153 CO 0.03 -0.37 -0.21 0.08 -0.85 0.00 0.00 174.74 173.42 3a1p s VAL 154 N 0.30 1.87 -0.89 -0.90 1.01 -0.01 0.77 120.40 122.56 3a1p s VAL 154 Ca -0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 3a1p s VAL 154 Cb -0.17 -1.65 0.18 0.00 0.00 0.00 0.00 36.38 34.74 3a1p s VAL 154 CO 0.08 0.52 0.95 -0.62 0.00 0.00 0.00 175.10 176.03 3a1p s ASP 155 N 0.63 6.74 -0.10 3.32 -1.08 0.01 -4.45 116.67 121.74 3a1p s ASP 155 Ca -0.13 -2.47 -0.36 0.00 -0.52 0.00 0.00 52.55 49.08 3a1p s ASP 155 Cb -0.16 -2.29 -0.13 0.00 -1.46 0.00 0.00 42.92 38.87 3a1p s ASP 155 CO 0.03 -0.77 1.81 -0.81 0.52 0.00 0.00 175.17 175.95 3a1p n PRO 156 N 5.04 1.92 -2.92 4.34 -0.04 -1.26 -4.84 135.00 137.24 3a1p n PRO 156 Ca 0.19 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 64.05 3a1p n PRO 156 Cb 0.47 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 3a1p n PRO 156 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3a1p s ILE 157 N 3.54 4.76 -0.35 0.52 -4.36 -1.26 -4.94 121.20 119.12 3a1p s ILE 157 Ca 0.92 0.70 -0.42 0.00 -0.26 0.00 0.00 60.65 61.59 3a1p s ILE 157 Cb -0.78 -3.70 -0.16 0.00 1.25 0.00 0.00 42.46 39.06 3a1p s ILE 157 CO 0.53 -0.44 1.77 -2.65 0.24 0.00 0.00 174.94 174.39 3a1p n PRO 158 N -1.08 0.83 -0.18 0.37 -0.02 -1.26 -1.55 135.00 132.11 3a1p n PRO 158 Ca 0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3a1p n PRO 158 Cb 0.54 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3a1p n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1p n GLY 159 N 4.54 1.14 0.32 -1.23 0.00 -1.26 -4.94 105.19 103.76 3a1p n GLY 159 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 3a1p n GLY 159 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a1p h LEU 160 N 0.00 0.92 -3.15 0.99 5.85 -1.66 -2.86 115.31 115.42 3a1p h LEU 160 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3a1p h LEU 160 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3a1p h LEU 160 CO 0.00 0.86 0.00 0.49 -0.34 0.00 0.00 178.44 179.45 3a1p n PHE 161 N -4.27 0.59 1.69 1.25 3.72 -1.26 -4.81 117.46 114.36 3a1p n PHE 161 Ca 0.05 -0.88 0.14 0.00 -0.05 0.00 0.00 57.45 56.70 3a1p n PHE 161 Cb 0.21 -0.24 0.80 0.00 -0.94 0.00 0.00 39.48 39.32 3a1p n PHE 161 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46