#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pl3 s ALA 3 N 0.00 2.49 0.22 -0.43 0.00 0.11 -4.87 121.76 119.29 1pl3 s ALA 3 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 1pl3 s ALA 3 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1pl3 s ALA 3 CO 0.00 -1.33 0.26 -1.54 0.00 0.00 0.00 175.76 173.16 1pl3 s SER 4 N -3.08 0.13 0.14 0.00 1.04 -0.02 -4.86 113.70 107.05 1pl3 s SER 4 Ca 0.63 -1.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1pl3 s SER 4 Cb -0.17 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.34 1pl3 s SER 4 CO 0.47 -0.96 0.97 -1.10 0.98 0.00 0.00 173.24 173.60 1pl3 s GLN 5 N -4.06 4.72 0.07 4.02 -0.21 -1.26 -0.99 119.66 121.95 1pl3 s GLN 5 Ca 0.33 1.48 -0.11 0.00 0.02 0.00 0.00 55.36 57.08 1pl3 s GLN 5 Cb 0.04 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.71 1pl3 s GLN 5 CO 0.12 0.27 0.25 -0.59 -2.12 0.00 0.00 175.29 173.21 1pl3 s PHE 6 N -0.25 0.01 -0.14 0.91 -0.71 -0.06 -4.97 117.98 112.77 1pl3 s PHE 6 Ca 0.46 -0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 56.03 1pl3 s PHE 6 Cb -0.24 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1pl3 s PHE 6 CO 0.31 -0.52 -0.03 0.99 -1.34 0.00 0.00 175.22 174.63 1pl3 s THR 7 N -3.13 4.00 -0.10 -4.49 2.01 -1.26 -0.65 115.64 112.01 1pl3 s THR 7 Ca -0.01 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 1pl3 s THR 7 Cb 0.01 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1pl3 s THR 7 CO -0.07 0.51 1.34 -0.62 -0.69 0.00 0.00 174.62 175.10 1pl3 s ASP 8 N 0.11 6.90 0.55 3.53 -1.08 -0.08 -4.92 116.67 121.67 1pl3 s ASP 8 Ca -0.00 1.88 0.34 0.00 -0.52 0.00 0.00 52.55 54.25 1pl3 s ASP 8 Cb -0.13 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.19 1pl3 s ASP 8 CO 0.03 -0.75 2.00 1.55 0.52 0.00 0.00 175.17 178.51 1pl3 h PRO 9 N 8.25 0.00 0.02 4.34 0.13 -1.96 0.28 132.00 143.06 1pl3 h PRO 9 Ca -0.32 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.53 1pl3 h PRO 9 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1pl3 h PRO 9 CO 0.94 0.00 -1.56 2.41 -0.23 0.00 0.00 178.00 179.56 1pl3 n THR 10 N -3.06 1.57 0.15 1.56 -1.04 -1.26 -4.49 114.28 107.71 1pl3 n THR 10 Ca 0.00 -0.18 0.07 0.00 -2.04 0.00 0.00 64.05 61.90 1pl3 n THR 10 Cb 0.29 -1.96 0.06 0.00 -1.82 0.00 0.00 70.33 66.90 1pl3 n THR 10 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1pl3 h THR 11 N -0.80 0.33 0.00 12.58 1.35 -1.98 -3.47 112.91 120.91 1pl3 h THR 11 Ca -0.41 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1pl3 h THR 11 Cb 1.48 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1pl3 h THR 11 CO -0.19 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1pl3 n GLY 12 N 1.19 0.79 3.75 5.82 0.00 0.09 -5.01 105.19 111.82 1pl3 n GLY 12 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pl3 n GLY 12 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pl3 n PHE 13 N -2.00 2.78 -3.75 1.61 3.01 -1.26 -4.69 117.46 113.17 1pl3 n PHE 13 Ca 0.00 0.38 -0.36 0.00 1.01 0.00 0.00 57.45 58.48 1pl3 n PHE 13 Cb 0.00 -2.54 -0.11 0.00 -0.01 0.00 0.00 39.48 36.82 1pl3 n PHE 13 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1pl3 s GLN 14 N -1.30 3.88 0.32 -1.08 -0.21 -1.26 -0.90 119.66 119.11 1pl3 s GLN 14 Ca 0.59 -0.37 0.08 0.00 0.02 0.00 0.00 55.36 55.68 1pl3 s GLN 14 Cb -0.51 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 1pl3 s GLN 14 CO 0.56 -0.05 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.57 1pl3 s PHE 15 N 1.30 2.18 -0.15 0.91 0.08 0.17 -4.74 117.98 117.74 1pl3 s PHE 15 Ca 0.06 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.49 1pl3 s PHE 15 Cb -0.15 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1pl3 s PHE 15 CO 0.05 0.39 -0.21 0.99 -0.10 0.00 0.00 175.22 176.35 1pl3 s THR 16 N -2.85 2.17 -1.24 0.64 2.01 0.06 -0.88 115.64 115.55 1pl3 s THR 16 Ca 0.32 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1pl3 s THR 16 Cb 0.04 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1pl3 s THR 16 CO 0.15 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1pl3 n GLY 17 N 4.12 -0.71 3.21 4.40 0.00 -0.16 -0.84 105.19 115.21 1pl3 n GLY 17 Ca -0.20 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1pl3 n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pl3 s ILE 18 N -3.86 0.13 -0.20 -0.61 -4.36 -0.36 -0.84 121.20 111.10 1pl3 s ILE 18 Ca 0.00 -1.44 -0.03 0.00 -0.26 0.00 0.00 60.65 58.92 1pl3 s ILE 18 Cb 0.00 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 42.11 1pl3 s ILE 18 CO 0.00 -0.59 -0.06 -0.89 0.24 0.00 0.00 174.94 173.63 1pl3 s THR 19 N -3.92 3.27 -0.12 8.37 2.01 -1.26 -0.39 115.64 123.59 1pl3 s THR 19 Ca 0.11 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 1pl3 s THR 19 Cb 0.05 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1pl3 s THR 19 CO -0.06 0.45 1.62 -0.62 -0.69 0.00 0.00 174.62 175.31 1pl3 s ASP 20 N 1.26 6.57 0.35 3.53 2.15 -0.08 -4.94 116.67 125.51 1pl3 s ASP 20 Ca 0.03 1.98 0.26 0.00 0.43 0.00 0.00 52.55 55.26 1pl3 s ASP 20 Cb -0.14 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 40.83 1pl3 s ASP 20 CO -0.03 -1.04 1.77 1.55 -0.17 0.00 0.00 175.17 177.26 1pl3 h PRO 21 N 9.92 0.00 0.01 4.34 0.13 -1.96 0.81 132.00 145.25 1pl3 h PRO 21 Ca -0.36 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1pl3 h PRO 21 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1pl3 h PRO 21 CO 0.97 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 179.02 1pl3 h VAL 22 N 0.00 1.48 -0.01 1.56 2.07 -1.97 -3.34 116.25 116.03 1pl3 h VAL 22 Ca 0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1pl3 h VAL 22 Cb 0.63 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1pl3 h VAL 22 CO 0.00 0.39 -0.25 1.41 0.02 0.00 0.00 177.57 179.14 1pl3 n HIS 23 N -4.78 0.00 -3.69 1.57 8.25 -1.23 -4.98 115.22 110.36 1pl3 n HIS 23 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 1pl3 n HIS 23 Cb 0.32 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.49 1pl3 n HIS 23 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1pl3 n ASP 24 N 0.04 -4.05 -4.70 0.41 8.00 0.27 -4.58 116.55 111.94 1pl3 n ASP 24 Ca 0.07 -0.69 -0.36 0.00 0.71 0.00 0.00 54.79 54.52 1pl3 n ASP 24 Cb 0.33 -4.49 -0.09 0.00 -0.02 0.00 0.00 41.12 36.85 1pl3 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pl3 s VAL 25 N -3.40 5.38 -0.16 2.53 1.01 -1.18 -4.45 120.40 120.14 1pl3 s VAL 25 Ca 0.39 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1pl3 s VAL 25 Cb -0.18 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1pl3 s VAL 25 CO 0.78 0.39 0.24 -0.89 0.00 0.00 0.00 175.10 175.62 1pl3 s THR 26 N 0.69 5.34 -0.11 3.92 2.01 -0.36 -0.91 115.64 126.23 1pl3 s THR 26 Ca 0.09 0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.55 1pl3 s THR 26 Cb -0.12 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1pl3 s THR 26 CO 0.01 0.44 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.85 1pl3 s TYR 27 N 0.15 2.56 0.02 4.92 1.51 0.47 -1.40 117.35 125.58 1pl3 s TYR 27 Ca 0.14 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 1pl3 s TYR 27 Cb -0.13 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1pl3 s TYR 27 CO 0.03 -0.46 -0.04 0.20 -1.11 0.00 0.00 175.55 174.16 1pl3 s GLY 28 N 0.46 0.27 0.00 0.71 0.00 -0.80 -1.22 107.32 106.75 1pl3 s GLY 28 Ca -0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1pl3 s GLY 28 CO 0.06 -0.49 0.00 -1.36 0.00 0.00 0.00 173.10 171.31 1pl3 s PHE 29 N -0.91 0.10 -0.13 1.90 0.40 -0.02 -1.23 117.98 118.08 1pl3 s PHE 29 Ca -0.08 -0.19 -0.13 0.00 -0.60 0.00 0.00 56.93 55.93 1pl3 s PHE 29 Cb -0.07 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.42 1pl3 s PHE 29 CO -0.00 -0.09 0.36 0.54 0.70 0.00 0.00 175.22 176.73 1pl3 s VAL 30 N -0.64 0.00 0.16 -0.44 0.11 0.10 -0.76 120.40 118.94 1pl3 s VAL 30 Ca -0.07 -0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1pl3 s VAL 30 Cb -0.04 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1pl3 s VAL 30 CO -0.00 -0.02 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.16 1pl3 s PHE 31 N 0.06 2.10 0.92 1.54 0.40 -0.16 -1.08 117.98 121.77 1pl3 s PHE 31 Ca -0.01 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1pl3 s PHE 31 Cb -0.03 -1.08 0.14 0.00 0.51 0.00 0.00 43.02 42.57 1pl3 s PHE 31 CO 0.01 0.38 1.09 -2.14 0.70 0.00 0.00 175.22 175.26 1pl3 s PRO 32 N -2.47 1.05 0.20 0.24 0.02 -1.26 -0.95 135.00 131.83 1pl3 s PRO 32 Ca 0.16 0.94 -0.32 0.00 0.02 0.00 0.00 61.00 61.80 1pl3 s PRO 32 Cb -0.08 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.51 1pl3 s PRO 32 CO 0.07 -2.42 1.15 -2.30 -0.33 0.00 0.00 177.00 173.17 1pl3 n PRO 33 N -4.02 1.25 -1.66 5.54 -0.02 -1.25 -4.46 135.00 130.38 1pl3 n PRO 33 Ca 0.07 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 1pl3 n PRO 33 Cb 0.55 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1pl3 n PRO 33 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pl3 n LEU 34 N 1.89 2.87 -4.76 2.45 4.77 -1.26 -4.78 117.00 118.18 1pl3 n LEU 34 Ca 0.14 1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 56.90 1pl3 n LEU 34 Cb 0.26 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1pl3 n LEU 34 CO 0.61 -0.75 0.68 0.00 -1.33 0.00 0.00 177.39 176.59 1pl3 s ALA 35 N -0.71 3.32 -0.19 -1.18 0.00 -1.26 -4.95 121.76 116.80 1pl3 s ALA 35 Ca 0.61 0.65 0.17 0.00 0.00 0.00 0.00 51.96 53.40 1pl3 s ALA 35 Cb -0.64 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.28 1pl3 s ALA 35 CO 0.57 0.13 1.25 1.79 0.00 0.00 0.00 175.76 179.51 1pl3 h THR 36 N 3.02 0.58 -3.13 0.00 1.35 -1.94 -3.46 112.91 109.32 1pl3 h THR 36 Ca -0.46 -1.90 -0.13 0.00 -0.55 0.00 0.00 66.41 63.37 1pl3 h THR 36 Cb 1.20 2.18 -0.21 0.00 -1.73 0.00 0.00 68.15 69.59 1pl3 h THR 36 CO 0.67 0.33 -0.34 -0.94 -0.25 0.00 0.00 175.52 174.99 1pl3 s SER 37 N -6.14 -0.17 0.00 5.36 1.04 -1.26 -5.14 113.70 107.40 1pl3 s SER 37 Ca 0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1pl3 s SER 37 Cb 0.08 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1pl3 s SER 37 CO 0.76 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.24 1pl3 n GLY 38 N 1.68 -1.14 3.85 7.32 0.00 -1.26 -4.90 105.19 110.74 1pl3 n GLY 38 Ca -0.20 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1pl3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pl3 s ALA 39 N -1.02 3.23 0.58 4.61 0.00 -1.26 -4.94 121.76 122.96 1pl3 s ALA 39 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1pl3 s ALA 39 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1pl3 s ALA 39 CO 0.00 0.15 1.13 -0.65 0.00 0.00 0.00 175.76 176.39 1pl3 s GLN 40 N -3.34 3.17 0.62 0.00 -1.52 -1.26 -4.78 119.66 112.55 1pl3 s GLN 40 Ca 0.56 1.57 -0.18 0.00 -1.95 0.00 0.00 55.36 55.36 1pl3 s GLN 40 Cb -0.10 -1.98 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1pl3 s GLN 40 CO 0.21 -0.99 1.11 0.45 -0.25 0.00 0.00 175.29 175.82 1pl3 n SER 41 N -1.63 1.34 -0.81 5.90 2.88 -1.26 -4.94 113.62 115.10 1pl3 n SER 41 Ca 0.11 0.82 0.07 0.00 -1.33 0.00 0.00 58.87 58.54 1pl3 n SER 41 Cb 0.51 -1.46 0.21 0.00 -0.75 0.00 0.00 64.21 62.72 1pl3 n SER 41 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pl3 n THR 42 N -1.81 1.64 -4.05 2.46 -2.24 -1.26 -4.94 114.28 104.09 1pl3 n THR 42 Ca 0.15 -1.42 -0.23 0.00 -2.27 0.00 0.00 64.05 60.28 1pl3 n THR 42 Cb 0.48 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1pl3 n THR 42 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pl3 s GLU 43 N -1.89 2.36 0.25 -0.78 -1.05 -1.26 -0.78 118.70 115.56 1pl3 s GLU 43 Ca 0.33 -1.61 -0.20 0.00 -0.15 0.00 0.00 54.97 53.34 1pl3 s GLU 43 Cb 0.23 -2.16 0.02 0.00 -0.44 0.00 0.00 34.13 31.79 1pl3 s GLU 43 CO 0.13 0.03 0.65 -0.59 0.95 0.00 0.00 175.26 176.43 1pl3 s PHE 44 N -2.47 -0.15 -0.06 4.83 -0.71 -0.91 -4.43 117.98 114.08 1pl3 s PHE 44 Ca 0.40 -0.26 0.04 0.00 -1.04 0.00 0.00 56.93 56.07 1pl3 s PHE 44 Cb -0.01 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 1pl3 s PHE 44 CO 0.23 -1.13 -0.19 0.42 -1.34 0.00 0.00 175.22 173.22 1pl3 s ILE 45 N -3.91 2.66 0.37 -4.49 1.01 -0.24 -0.60 121.20 116.00 1pl3 s ILE 45 Ca 0.11 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1pl3 s ILE 45 Cb -0.04 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1pl3 s ILE 45 CO 0.04 0.58 0.13 -0.83 0.00 0.00 0.00 174.94 174.86 1pl3 s GLY 46 N -0.44 2.38 -0.04 6.18 0.00 0.36 -0.72 107.32 115.05 1pl3 s GLY 46 Ca 0.05 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 1pl3 s GLY 46 CO 0.02 -1.76 0.28 -1.83 0.00 0.00 0.00 173.10 169.81 1pl3 s GLU 47 N -3.76 0.56 -0.14 2.90 -1.05 -0.37 -0.98 118.70 115.87 1pl3 s GLU 47 Ca 0.29 -0.08 0.02 0.00 -0.15 0.00 0.00 54.97 55.06 1pl3 s GLU 47 Cb 0.04 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1pl3 s GLU 47 CO 0.16 -0.14 -0.21 0.08 0.95 0.00 0.00 175.26 176.10 1pl3 s VAL 48 N -0.97 1.97 -0.32 1.83 1.01 -0.06 -1.90 120.40 121.96 1pl3 s VAL 48 Ca -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1pl3 s VAL 48 Cb -0.05 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.64 1pl3 s VAL 48 CO 0.03 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1pl3 s VAL 49 N 0.85 3.10 -0.03 2.92 1.01 -0.49 -0.30 120.40 127.46 1pl3 s VAL 49 Ca -0.07 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.51 1pl3 s VAL 49 Cb -0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1pl3 s VAL 49 CO -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 175.10 174.77 1pl3 s ALA 50 N 1.25 1.14 0.66 5.51 0.00 -0.04 -1.23 121.76 129.05 1pl3 s ALA 50 Ca -0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1pl3 s ALA 50 Cb -0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1pl3 s ALA 50 CO -0.01 0.21 1.07 -2.30 0.00 0.00 0.00 175.76 174.73 1pl3 n PRO 51 N 3.16 0.83 0.31 0.00 -0.02 -1.26 -0.76 135.00 137.27 1pl3 n PRO 51 Ca -0.18 0.34 0.19 0.00 -2.02 0.00 0.00 63.50 61.83 1pl3 n PRO 51 Cb 0.54 -2.30 1.02 0.00 -0.02 0.00 0.00 33.50 32.73 1pl3 n PRO 51 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1pl3 h ILE 52 N 0.25 0.25 0.00 4.25 3.07 -1.64 0.50 117.51 124.19 1pl3 h ILE 52 Ca -0.49 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 65.80 1pl3 h ILE 52 Cb 1.35 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1pl3 h ILE 52 CO 0.50 0.02 0.00 0.00 -1.05 0.00 0.00 178.15 177.62 1pl3 h ALA 53 N 1.98 1.00 -1.60 0.16 0.00 -1.89 -3.40 119.26 115.51 1pl3 h ALA 53 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1pl3 h ALA 53 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1pl3 h ALA 53 CO 0.00 0.00 0.99 -1.12 0.00 0.00 0.00 179.25 179.12 1pl3 s SER 54 N -4.57 6.43 0.06 0.00 0.01 0.17 -4.61 113.70 111.19 1pl3 s SER 54 Ca -0.03 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 1pl3 s SER 54 Cb 0.09 -2.55 -0.28 0.00 0.21 0.00 0.00 66.02 63.49 1pl3 s SER 54 CO 0.31 -1.48 1.08 0.11 0.41 0.00 0.00 173.24 173.67 1pl3 h LYS 55 N 9.70 0.26 -3.17 12.44 1.79 -1.37 -3.45 116.57 132.78 1pl3 h LYS 55 Ca -0.25 -0.45 -0.12 0.00 -2.18 0.00 0.00 60.65 57.65 1pl3 h LYS 55 Cb 1.06 0.17 -0.19 0.00 -1.58 0.00 0.00 32.23 31.69 1pl3 h LYS 55 CO 1.18 1.19 -0.30 1.67 -1.08 0.00 0.00 179.45 182.11 1pl3 s TRP 56 N -2.65 -0.13 -0.02 -1.35 1.48 -1.15 -4.58 118.94 110.54 1pl3 s TRP 56 Ca -0.05 0.14 0.05 0.00 -1.06 0.00 0.00 56.10 55.17 1pl3 s TRP 56 Cb 0.07 0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.44 1pl3 s TRP 56 CO 0.88 -0.40 -0.16 0.42 -4.06 0.00 0.00 176.95 173.63 1pl3 s ILE 57 N -1.60 1.28 0.08 0.66 -1.09 -0.59 -2.21 121.20 117.72 1pl3 s ILE 57 Ca -0.12 -0.67 0.08 0.00 -2.23 0.00 0.00 60.65 57.72 1pl3 s ILE 57 Cb -0.05 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.72 1pl3 s ILE 57 CO 0.02 0.37 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.07 1pl3 s GLY 58 N -0.19 1.60 -0.11 6.18 0.00 0.08 -1.26 107.32 113.62 1pl3 s GLY 58 Ca 0.02 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1pl3 s GLY 58 CO 0.00 -1.21 -0.22 -0.42 0.00 0.00 0.00 173.10 171.26 1pl3 s ILE 59 N -1.00 2.24 -0.34 0.90 1.01 0.73 -0.75 121.20 123.98 1pl3 s ILE 59 Ca 0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1pl3 s ILE 59 Cb -0.10 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1pl3 s ILE 59 CO 0.07 0.55 0.16 0.00 0.00 0.00 0.00 174.94 175.72 1pl3 s ALA 60 N 0.44 3.22 -0.77 9.38 0.00 0.16 -0.70 121.76 133.49 1pl3 s ALA 60 Ca -0.15 -1.59 0.25 0.00 0.00 0.00 0.00 51.96 50.47 1pl3 s ALA 60 Cb -0.17 -2.43 0.93 0.00 0.00 0.00 0.00 23.12 21.45 1pl3 s ALA 60 CO 0.06 -1.18 1.77 1.28 0.00 0.00 0.00 175.76 177.69 1pl3 n LEU 61 N 4.95 0.50 -0.39 0.00 4.77 -0.09 -1.44 117.00 125.30 1pl3 n LEU 61 Ca -0.13 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1pl3 n LEU 61 Cb 0.47 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1pl3 n LEU 61 CO 0.34 -0.22 0.61 0.61 -1.33 0.00 0.00 177.39 177.41 1pl3 n GLY 62 N 0.96 4.16 2.09 -0.72 0.00 -1.26 -4.84 105.19 105.58 1pl3 n GLY 62 Ca 0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1pl3 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pl3 n GLY 63 N -0.82 0.62 3.23 -0.02 0.00 -0.52 -4.88 105.19 102.80 1pl3 n GLY 63 Ca 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1pl3 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pl3 s ALA 64 N -2.12 -0.57 0.11 4.61 0.00 -1.26 -4.66 121.76 117.86 1pl3 s ALA 64 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 1pl3 s ALA 64 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 1pl3 s ALA 64 CO 0.00 -0.42 1.61 1.25 0.00 0.00 0.00 175.76 178.20 1pl3 h HIS 65 N 3.21 0.49 -2.79 0.00 2.76 -1.96 -3.45 115.15 113.41 1pl3 h HIS 65 Ca -0.32 -0.06 -0.64 0.00 -2.20 0.00 0.00 60.37 57.15 1pl3 h HIS 65 Cb 1.20 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 1pl3 h HIS 65 CO 0.46 0.53 -0.49 -0.80 -1.30 0.00 0.00 177.93 176.33 1pl3 s ASN 66 N -5.84 6.38 -1.17 3.26 0.01 -1.26 -4.28 114.94 112.04 1pl3 s ASN 66 Ca -0.13 0.37 -0.04 0.00 -0.71 0.00 0.00 52.86 52.35 1pl3 s ASN 66 Cb 0.08 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1pl3 s ASN 66 CO 0.74 0.28 0.48 0.59 -1.51 0.00 0.00 177.10 177.67 1pl3 n ASN 67 N 1.06 -5.03 -3.59 -1.22 3.02 -0.50 -4.99 115.26 104.00 1pl3 n ASN 67 Ca -0.12 -0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.08 1pl3 n ASN 67 Cb 0.53 -3.88 -0.05 0.00 -0.61 0.00 0.00 39.78 35.77 1pl3 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1pl3 s ASP 68 N -2.79 -0.38 0.14 6.41 -4.77 -1.26 -5.00 116.67 109.01 1pl3 s ASP 68 Ca 0.24 0.06 -0.31 0.00 -3.30 0.00 0.00 52.55 49.24 1pl3 s ASP 68 Cb -0.10 0.48 -0.08 0.00 -1.09 0.00 0.00 42.92 42.12 1pl3 s ASP 68 CO 0.29 -0.74 1.36 -0.22 0.70 0.00 0.00 175.17 176.57 1pl3 s LEU 69 N -2.13 4.38 -0.04 2.11 2.96 -1.26 -4.59 118.68 120.11 1pl3 s LEU 69 Ca -0.04 2.36 0.06 0.00 -0.22 0.00 0.00 54.13 56.28 1pl3 s LEU 69 Cb -0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1pl3 s LEU 69 CO -0.04 -0.61 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.41 1pl3 s LEU 70 N 0.68 2.36 -0.11 -0.68 1.43 -0.55 -0.91 118.68 120.88 1pl3 s LEU 70 Ca 0.62 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1pl3 s LEU 70 Cb -0.37 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1pl3 s LEU 70 CO 0.33 0.32 -0.17 -0.76 0.23 0.00 0.00 176.35 176.29 1pl3 s LEU 71 N -0.57 2.48 -0.01 1.79 1.43 0.12 -0.01 118.68 123.92 1pl3 s LEU 71 Ca 0.08 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1pl3 s LEU 71 Cb -0.11 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1pl3 s LEU 71 CO 0.00 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 175.91 1pl3 s VAL 72 N 0.30 1.21 0.06 -1.59 1.01 -0.20 -0.20 120.40 120.99 1pl3 s VAL 72 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1pl3 s VAL 72 Cb -0.16 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1pl3 s VAL 72 CO 0.07 0.34 0.32 0.00 0.00 0.00 0.00 175.10 175.82 1pl3 s ALA 73 N -0.37 -0.72 0.13 5.51 0.00 -0.39 -0.83 121.76 125.10 1pl3 s ALA 73 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1pl3 s ALA 73 Cb -0.06 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1pl3 s ALA 73 CO -0.01 -0.46 0.41 1.67 0.00 0.00 0.00 175.76 177.37 1pl3 s TRP 74 N -2.84 -0.18 0.09 0.00 -2.14 -0.38 -1.53 118.94 111.95 1pl3 s TRP 74 Ca -0.03 -0.14 -0.23 0.00 2.66 0.00 0.00 56.10 58.36 1pl3 s TRP 74 Cb 0.00 0.27 -0.07 0.00 -3.10 0.00 0.00 33.47 30.57 1pl3 s TRP 74 CO -0.05 -0.72 0.70 0.00 -2.66 0.00 0.00 176.95 174.21 1pl3 s ALA 75 N -3.81 3.47 -0.41 2.67 0.00 -1.26 -0.36 121.76 122.05 1pl3 s ALA 75 Ca 0.04 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1pl3 s ALA 75 Cb 0.02 -2.86 0.13 0.00 0.00 0.00 0.00 23.12 20.41 1pl3 s ALA 75 CO -0.11 0.24 0.22 1.21 0.00 0.00 0.00 175.76 177.32 1pl3 s ASN 76 N -0.70 3.58 1.55 0.00 2.47 -0.09 -4.91 114.94 116.84 1pl3 s ASN 76 Ca 0.34 -2.46 0.00 0.00 0.42 0.00 0.00 52.86 51.16 1pl3 s ASN 76 Cb -0.21 -0.92 0.00 0.00 -1.45 0.00 0.00 41.25 38.67 1pl3 s ASN 76 CO 0.22 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 1pl3 n GLY 77 N 3.75 2.80 1.72 1.21 0.00 -1.26 -2.70 105.19 110.71 1pl3 n GLY 77 Ca 0.08 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1pl3 n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pl3 n ASN 78 N 7.48 5.16 -4.30 1.61 2.04 -1.26 -4.93 115.26 121.06 1pl3 n ASN 78 Ca 0.00 -3.03 -0.27 0.00 -0.44 0.00 0.00 54.58 50.83 1pl3 n ASN 78 Cb 0.00 -0.67 -0.14 0.00 -2.53 0.00 0.00 39.78 36.44 1pl3 n ASN 78 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1pl3 s GLN 79 N -2.85 1.52 -0.13 -3.83 -0.21 -1.10 -4.91 119.66 108.16 1pl3 s GLN 79 Ca 0.52 -1.04 -0.18 0.00 0.02 0.00 0.00 55.36 54.68 1pl3 s GLN 79 Cb 0.41 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 32.68 1pl3 s GLN 79 CO 0.14 0.43 0.49 0.42 -2.12 0.00 0.00 175.29 174.64 1pl3 s ILE 80 N -0.84 5.18 -0.19 1.08 -1.09 -1.26 -0.91 121.20 123.17 1pl3 s ILE 80 Ca 0.09 0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 59.41 1pl3 s ILE 80 Cb -0.09 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1pl3 s ILE 80 CO 0.02 0.31 0.06 -0.69 -1.23 0.00 0.00 174.94 173.41 1pl3 s VAL 81 N 0.74 4.69 0.08 2.92 1.01 0.51 -4.95 120.40 125.39 1pl3 s VAL 81 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1pl3 s VAL 81 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1pl3 s VAL 81 CO 0.10 0.45 0.03 -0.94 0.00 0.00 0.00 175.10 174.74 1pl3 s SER 82 N 0.47 0.39 0.10 3.32 1.04 -1.26 -1.25 113.70 116.51 1pl3 s SER 82 Ca 0.03 -0.99 -0.24 0.00 0.48 0.00 0.00 55.95 55.23 1pl3 s SER 82 Cb -0.13 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1pl3 s SER 82 CO 0.01 -0.65 0.58 -0.94 0.98 0.00 0.00 173.24 173.22 1pl3 s SER 83 N -2.94 -0.53 -0.14 7.02 1.04 -0.01 -4.85 113.70 113.29 1pl3 s SER 83 Ca 0.11 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1pl3 s SER 83 Cb 0.07 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1pl3 s SER 83 CO -0.07 -0.85 0.23 0.42 0.98 0.00 0.00 173.24 173.94 1pl3 s THR 84 N -3.09 5.35 0.25 2.02 -4.23 -1.26 -1.04 115.64 113.64 1pl3 s THR 84 Ca -0.02 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1pl3 s THR 84 Cb -0.00 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 1pl3 s THR 84 CO -0.07 0.49 0.12 -0.13 -0.54 0.00 0.00 174.62 174.49 1pl3 s ARG 85 N -0.14 1.38 -0.08 3.99 0.52 0.99 -1.66 118.95 123.95 1pl3 s ARG 85 Ca 0.15 -1.75 -0.16 0.00 -0.52 0.00 0.00 55.73 53.45 1pl3 s ARG 85 Cb -0.13 -0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.34 1pl3 s ARG 85 CO 0.04 -0.36 0.39 -0.46 0.02 0.00 0.00 175.30 174.92 1pl3 s TRP 86 N -3.86 -0.35 0.04 -0.53 -0.11 -0.24 -1.49 118.94 112.40 1pl3 s TRP 86 Ca 0.38 0.73 -0.00 0.00 1.22 0.00 0.00 56.10 58.43 1pl3 s TRP 86 Cb 0.07 0.15 -0.03 0.00 -1.50 0.00 0.00 33.47 32.16 1pl3 s TRP 86 CO 0.14 -0.33 -0.04 0.00 -4.62 0.00 0.00 176.95 172.11 1pl3 s ALA 87 N -0.59 0.34 0.16 5.86 0.00 -1.26 -1.29 121.76 124.98 1pl3 s ALA 87 Ca -0.07 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.09 1pl3 s ALA 87 Cb -0.04 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1pl3 s ALA 87 CO 0.03 -0.23 -0.14 0.95 0.00 0.00 0.00 175.76 176.37 1pl3 s THR 88 N -2.45 1.53 0.00 0.00 -4.23 -1.26 -1.41 115.64 107.82 1pl3 s THR 88 Ca -0.06 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1pl3 s THR 88 Cb -0.03 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1pl3 s THR 88 CO -0.04 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1pl3 n GLY 89 N 0.11 0.18 1.94 3.99 0.00 -1.26 -3.66 105.19 106.49 1pl3 n GLY 89 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1pl3 n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pl3 n TYR 90 N -2.31 -0.11 -4.14 1.61 4.01 -1.26 -5.07 117.16 109.89 1pl3 n TYR 90 Ca 0.00 0.02 -0.26 0.00 -0.16 0.00 0.00 57.90 57.50 1pl3 n TYR 90 Cb 0.30 -1.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.02 1pl3 n TYR 90 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1pl3 s VAL 91 N -2.31 2.10 -0.40 -0.72 -7.23 -1.24 -5.03 120.40 105.57 1pl3 s VAL 91 Ca 0.01 -1.69 -0.36 0.00 -1.81 0.00 0.00 61.98 58.13 1pl3 s VAL 91 Cb -0.00 -2.79 -0.16 0.00 0.56 0.00 0.00 36.38 33.99 1pl3 s VAL 91 CO 0.01 0.00 1.50 1.67 -0.31 0.00 0.00 175.10 177.98 1pl3 n GLN 92 N -1.33 0.00 -1.92 4.82 -0.06 -1.26 -4.80 117.38 112.83 1pl3 n GLN 92 Ca -0.03 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.56 1pl3 n GLN 92 Cb 0.65 -1.20 -0.01 0.00 -4.06 0.00 0.00 30.24 25.61 1pl3 n GLN 92 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1pl3 s PRO 93 N 3.63 4.19 0.48 3.69 0.02 -1.26 -4.90 135.00 140.85 1pl3 s PRO 93 Ca 0.90 2.44 0.05 0.00 0.02 0.00 0.00 61.00 64.41 1pl3 s PRO 93 Cb -1.20 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 30.31 1pl3 s PRO 93 CO 0.59 -0.41 0.23 0.95 -0.33 0.00 0.00 177.00 178.03 1pl3 s THR 94 N -1.13 1.83 0.19 0.99 -4.23 -0.41 -4.81 115.64 108.06 1pl3 s THR 94 Ca 0.52 -1.68 -0.33 0.00 -1.18 0.00 0.00 61.69 59.02 1pl3 s THR 94 Cb -0.44 -2.50 -0.13 0.00 1.34 0.00 0.00 72.50 70.77 1pl3 s THR 94 CO 0.59 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.33 1pl3 n ALA 95 N -1.44 2.20 -1.79 3.99 0.00 -1.26 -1.08 120.51 121.12 1pl3 n ALA 95 Ca -0.05 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1pl3 n ALA 95 Cb 0.65 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1pl3 n ALA 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1pl3 s TYR 96 N 0.99 3.02 -2.46 0.00 5.04 -0.66 -4.69 117.35 118.59 1pl3 s TYR 96 Ca 0.76 1.34 0.20 0.00 -2.44 0.00 0.00 57.07 56.93 1pl3 s TYR 96 Cb -0.58 -3.72 0.15 0.00 0.35 0.00 0.00 41.96 38.17 1pl3 s TYR 96 CO 0.36 -2.03 1.12 0.25 -1.34 0.00 0.00 175.55 173.91 1pl3 n THR 97 N 1.04 0.00 -1.00 4.34 -2.24 -1.26 -4.94 114.28 110.22 1pl3 n THR 97 Ca 0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1pl3 n THR 97 Cb 0.41 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1pl3 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pl3 n GLY 98 N 1.12 -0.52 3.31 3.38 0.00 -1.26 -5.01 105.19 106.22 1pl3 n GLY 98 Ca 0.11 -1.73 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 1pl3 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pl3 s THR 99 N -0.34 5.28 -0.22 2.61 2.01 -1.26 -4.96 115.64 118.75 1pl3 s THR 99 Ca 0.00 -1.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.14 1pl3 s THR 99 Cb 0.00 -4.35 0.09 0.00 0.01 0.00 0.00 72.50 68.25 1pl3 s THR 99 CO 0.00 -0.91 0.49 0.00 -0.69 0.00 0.00 174.62 173.51 1pl3 s ALA 100 N 1.21 -1.37 -0.24 7.40 0.00 -1.26 -4.54 121.76 122.96 1pl3 s ALA 100 Ca 0.07 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 1pl3 s ALA 100 Cb -0.25 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.58 1pl3 s ALA 100 CO -0.00 -0.62 -0.08 0.99 0.00 0.00 0.00 175.76 176.05 1pl3 s THR 101 N 2.25 2.76 -0.27 0.00 2.01 -0.18 -4.98 115.64 117.23 1pl3 s THR 101 Ca -0.05 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 60.75 1pl3 s THR 101 Cb -0.10 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1pl3 s THR 101 CO -0.15 0.24 0.53 -0.76 -0.69 0.00 0.00 174.62 173.80 1pl3 s LEU 102 N 1.32 4.08 -0.13 4.42 1.43 -1.26 -0.92 118.68 127.62 1pl3 s LEU 102 Ca 0.01 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1pl3 s LEU 102 Cb -0.16 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1pl3 s LEU 102 CO -0.06 -0.32 -0.17 -0.89 0.23 0.00 0.00 176.35 175.15 1pl3 s THR 103 N 2.35 2.70 -0.22 5.49 2.01 0.08 -4.99 115.64 123.07 1pl3 s THR 103 Ca 0.22 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1pl3 s THR 103 Cb -0.16 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 1pl3 s THR 103 CO 0.10 0.53 1.20 -0.89 -0.69 0.00 0.00 174.62 174.87 1pl3 s THR 104 N 0.43 4.37 0.42 -0.82 2.01 -1.26 -0.84 115.64 119.95 1pl3 s THR 104 Ca -0.12 1.63 -0.13 0.00 0.31 0.00 0.00 61.69 63.37 1pl3 s THR 104 Cb -0.16 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 1pl3 s THR 104 CO 0.06 -0.25 0.83 -0.76 -0.69 0.00 0.00 174.62 173.81 1pl3 s LEU 105 N 3.62 3.81 0.38 4.42 1.43 0.19 -4.95 118.68 127.58 1pl3 s LEU 105 Ca 0.52 1.30 0.27 0.00 -1.03 0.00 0.00 54.13 55.19 1pl3 s LEU 105 Cb -0.18 -4.19 1.35 0.00 0.03 0.00 0.00 46.19 43.20 1pl3 s LEU 105 CO 0.14 -0.42 1.82 -0.65 0.23 0.00 0.00 176.35 177.47 1pl3 h PRO 106 N 1.34 0.00 0.00 1.29 0.11 -1.96 -1.32 132.00 131.46 1pl3 h PRO 106 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pl3 h PRO 106 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pl3 h PRO 106 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1pl3 n GLU 107 N -2.46 0.21 -1.65 1.05 4.71 -1.26 -4.79 120.64 116.44 1pl3 n GLU 107 Ca -0.01 0.45 -0.46 0.00 -0.01 0.00 0.00 57.16 57.13 1pl3 n GLU 107 Cb 0.12 -1.90 -0.03 0.00 -1.01 0.00 0.00 31.44 28.61 1pl3 n GLU 107 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1pl3 n THR 108 N -2.29 0.88 -3.70 2.62 -1.04 -0.50 -4.85 114.28 105.40 1pl3 n THR 108 Ca 0.02 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1pl3 n THR 108 Cb 0.22 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.28 1pl3 n THR 108 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pl3 s THR 109 N -0.04 -0.19 -0.20 12.58 2.01 -0.43 -4.99 115.64 124.38 1pl3 s THR 109 Ca 0.70 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 1pl3 s THR 109 Cb -0.70 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1pl3 s THR 109 CO 0.50 0.10 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.78 1pl3 s ILE 110 N 1.77 2.74 0.00 1.82 1.01 -1.26 0.03 121.20 127.30 1pl3 s ILE 110 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1pl3 s ILE 110 Cb -0.11 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1pl3 s ILE 110 CO -0.07 0.48 0.00 -0.46 0.00 0.00 0.00 174.94 174.89 1pl3 n ASN 111 N 4.68 1.89 0.21 3.58 0.23 -0.46 -5.03 115.26 120.37 1pl3 n ASN 111 Ca -0.20 -0.65 0.09 0.00 -0.53 0.00 0.00 54.58 53.30 1pl3 n ASN 111 Cb 0.50 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.62 1pl3 n ASN 111 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1pl3 h SER 112 N 0.00 0.00 0.00 0.53 4.64 -2.03 -3.33 113.55 113.36 1pl3 h SER 112 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pl3 h SER 112 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pl3 h SER 112 CO 0.00 0.26 -1.29 0.35 -0.87 0.00 0.00 176.83 175.28 1pl3 n THR 113 N -3.40 0.00 -3.99 2.95 -2.24 -1.26 -4.90 114.28 101.44 1pl3 n THR 113 Ca 0.00 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1pl3 n THR 113 Cb 0.46 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 1pl3 n THR 113 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pl3 s HIS 114 N -2.44 0.32 -0.10 4.78 3.76 -1.25 -1.64 115.29 118.71 1pl3 s HIS 114 Ca -0.02 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 1pl3 s HIS 114 Cb 0.04 -0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 1pl3 s HIS 114 CO 0.26 -0.33 -0.16 1.67 -0.85 0.00 0.00 174.74 175.33 1pl3 s TRP 115 N -2.80 2.72 -0.33 1.40 1.48 0.07 -1.35 118.94 120.11 1pl3 s TRP 115 Ca -0.03 -0.62 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 1pl3 s TRP 115 Cb -0.00 -1.76 0.09 0.00 -1.16 0.00 0.00 33.47 30.64 1pl3 s TRP 115 CO -0.06 -0.17 0.04 0.21 -4.06 0.00 0.00 176.95 172.92 1pl3 s LYS 116 N 0.09 1.66 -0.40 3.25 2.20 0.10 -0.87 119.74 125.78 1pl3 s LYS 116 Ca -0.07 -1.78 -0.17 0.00 -0.36 0.00 0.00 55.97 53.58 1pl3 s LYS 116 Cb -0.15 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1pl3 s LYS 116 CO 0.05 -0.89 0.45 -0.46 -0.36 0.00 0.00 175.35 174.15 1pl3 s TRP 117 N 0.96 3.17 -0.20 4.03 -0.00 0.59 -1.32 118.94 126.17 1pl3 s TRP 117 Ca 0.07 -0.21 -0.04 0.00 -0.00 0.00 0.00 56.10 55.92 1pl3 s TRP 117 Cb -0.20 -2.91 -0.02 0.00 -0.00 0.00 0.00 33.47 30.35 1pl3 s TRP 117 CO -0.07 -0.65 -0.02 0.08 -0.00 0.00 0.00 176.95 176.29 1pl3 s VAL 118 N 2.22 3.80 0.04 5.86 1.01 -1.26 -0.88 120.40 131.19 1pl3 s VAL 118 Ca 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1pl3 s VAL 118 Cb -0.16 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1pl3 s VAL 118 CO 0.14 0.44 -0.05 0.72 0.00 0.00 0.00 175.10 176.35 1pl3 s PHE 119 N 1.01 0.50 -0.14 5.22 -0.71 -0.15 0.53 117.98 124.25 1pl3 s PHE 119 Ca 0.01 -0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 55.18 1pl3 s PHE 119 Cb -0.14 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 1pl3 s PHE 119 CO 0.01 -0.20 -0.03 0.50 -1.34 0.00 0.00 175.22 174.16 1pl3 s ARG 120 N -2.35 3.53 -0.36 1.99 3.52 -0.02 -0.48 118.95 124.77 1pl3 s ARG 120 Ca -0.06 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1pl3 s ARG 120 Cb -0.04 -2.89 0.10 0.00 -1.56 0.00 0.00 34.95 30.56 1pl3 s ARG 120 CO -0.03 0.34 0.09 0.00 -0.81 0.00 0.00 175.30 174.88 1pl3 s GLN 122 N 0.82 4.22 -1.17 0.00 -0.21 -0.10 -2.15 119.66 121.08 1pl3 s GLN 122 Ca 0.11 0.67 0.00 0.00 0.02 0.00 0.00 55.36 56.16 1pl3 s GLN 122 Cb -0.20 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.52 1pl3 s GLN 122 CO -0.07 0.50 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 1pl3 n GLY 123 N 2.15 -0.07 0.26 3.09 0.00 -0.94 -1.01 105.19 108.67 1pl3 n GLY 123 Ca -0.09 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1pl3 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pl3 n THR 125 N -0.73 0.36 -4.20 0.00 -2.24 -1.04 -4.83 114.28 101.60 1pl3 n THR 125 Ca 0.07 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1pl3 n THR 125 Cb 0.40 -0.13 -0.17 0.00 -2.10 0.00 0.00 70.33 68.33 1pl3 n THR 125 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pl3 s GLU 126 N -3.16 1.10 0.30 -0.78 0.41 -1.26 -0.53 118.70 114.77 1pl3 s GLU 126 Ca 0.06 -0.18 0.08 0.00 -0.41 0.00 0.00 54.97 54.53 1pl3 s GLU 126 Cb 0.13 -1.07 -0.04 0.00 -1.78 0.00 0.00 34.13 31.37 1pl3 s GLU 126 CO 0.72 -0.10 0.16 -1.58 -0.49 0.00 0.00 175.26 173.97 1pl3 s TRP 127 N 1.05 2.86 -1.30 1.61 0.51 0.03 -4.94 118.94 118.76 1pl3 s TRP 127 Ca -0.09 -0.25 0.21 0.00 -2.12 0.00 0.00 56.10 53.86 1pl3 s TRP 127 Cb -0.14 -1.50 1.02 0.00 -0.81 0.00 0.00 33.47 32.04 1pl3 s TRP 127 CO -0.00 0.42 1.68 0.27 -0.51 0.00 0.00 176.95 178.81 1pl3 n ASN 128 N -1.15 0.00 -0.20 2.95 6.94 -1.26 -1.42 115.26 121.12 1pl3 n ASN 128 Ca -0.05 0.14 0.14 0.00 -0.02 0.00 0.00 54.58 54.78 1pl3 n ASN 128 Cb 0.59 -0.35 0.69 0.00 -2.36 0.00 0.00 39.78 38.35 1pl3 n ASN 128 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1pl3 n ASN 129 N -1.35 0.63 0.00 0.53 6.94 -1.26 -4.93 115.26 115.82 1pl3 n ASN 129 Ca 0.09 -1.30 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 1pl3 n ASN 129 Cb 0.19 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1pl3 n ASN 129 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pl3 n GLY 130 N 1.03 1.20 2.95 4.83 0.00 -0.51 -5.05 105.19 109.65 1pl3 n GLY 130 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1pl3 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pl3 n GLY 131 N -2.00 -0.38 0.00 -0.02 0.00 -1.26 -4.85 105.19 96.69 1pl3 n GLY 131 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pl3 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pl3 n GLY 132 N -1.25 -0.39 3.51 -0.02 0.00 -1.26 -0.79 105.19 105.00 1pl3 n GLY 132 Ca 0.13 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1pl3 n GLY 132 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pl3 s ILE 133 N -3.02 3.03 -0.44 -0.61 -4.36 0.31 -4.98 121.20 111.13 1pl3 s ILE 133 Ca 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 60.65 58.92 1pl3 s ILE 133 Cb 0.00 -2.37 0.04 0.00 1.25 0.00 0.00 42.46 41.38 1pl3 s ILE 133 CO 0.00 0.18 0.41 -0.62 0.24 0.00 0.00 174.94 175.16 1pl3 s ASP 134 N -1.93 6.17 0.00 4.36 2.15 -1.26 -4.82 116.67 121.33 1pl3 s ASP 134 Ca 0.18 -0.91 0.26 0.00 0.43 0.00 0.00 52.55 52.51 1pl3 s ASP 134 Cb -0.11 -2.21 1.46 0.00 -0.30 0.00 0.00 42.92 41.76 1pl3 s ASP 134 CO 0.10 -0.60 1.90 1.33 -0.17 0.00 0.00 175.17 177.73 1pl3 n VAL 135 N 5.33 0.08 0.86 1.11 0.24 -1.26 -2.33 118.33 122.36 1pl3 n VAL 135 Ca -0.09 0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 1pl3 n VAL 135 Cb 0.46 -0.60 0.13 0.00 -1.47 0.00 0.00 33.84 32.36 1pl3 n VAL 135 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1pl3 n THR 136 N -1.12 0.11 -3.61 3.34 -2.24 -1.26 -3.38 114.28 106.13 1pl3 n THR 136 Ca 0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1pl3 n THR 136 Cb 0.14 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1pl3 n THR 136 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pl3 n SER 137 N 1.37 1.10 -4.75 3.42 3.41 -0.99 -4.34 113.62 112.84 1pl3 n SER 137 Ca 0.15 -0.61 -0.36 0.00 -0.26 0.00 0.00 58.87 57.80 1pl3 n SER 137 Cb 0.60 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1pl3 n SER 137 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pl3 s GLN 138 N -0.82 3.49 0.00 4.33 1.11 -1.26 -1.02 119.66 125.49 1pl3 s GLN 138 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 55.36 55.10 1pl3 s GLN 138 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.90 1pl3 s GLN 138 CO 0.00 0.60 0.00 0.41 0.01 0.00 0.00 175.29 176.31 1pl3 n GLY 139 N 2.51 3.42 3.16 3.09 0.00 0.12 -4.95 105.19 112.53 1pl3 n GLY 139 Ca -0.18 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 1pl3 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pl3 s VAL 140 N -2.29 1.61 0.24 1.61 1.01 -1.26 -1.12 120.40 120.21 1pl3 s VAL 140 Ca 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1pl3 s VAL 140 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1pl3 s VAL 140 CO 0.00 0.46 0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1pl3 s LEU 141 N 0.17 3.31 0.08 3.92 1.43 -0.09 -3.12 118.68 124.38 1pl3 s LEU 141 Ca -0.09 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1pl3 s LEU 141 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1pl3 s LEU 141 CO 0.04 0.02 -0.06 0.00 0.23 0.00 0.00 176.35 176.58 1pl3 s ALA 142 N -2.15 0.78 0.17 4.21 0.00 -1.07 -0.95 121.76 122.76 1pl3 s ALA 142 Ca 0.31 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1pl3 s ALA 142 Cb -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1pl3 s ALA 142 CO 0.20 -0.24 -0.16 1.67 0.00 0.00 0.00 175.76 177.24 1pl3 s TRP 143 N -3.33 1.67 0.03 0.00 1.48 -0.20 -0.66 118.94 117.93 1pl3 s TRP 143 Ca 0.07 -0.53 0.03 0.00 -1.06 0.00 0.00 56.10 54.61 1pl3 s TRP 143 Cb 0.03 -0.82 -0.02 0.00 -1.16 0.00 0.00 33.47 31.50 1pl3 s TRP 143 CO -0.05 0.29 -0.09 0.00 -4.06 0.00 0.00 176.95 173.04 1pl3 s ALA 144 N -2.40 0.68 0.00 2.67 0.00 0.07 -1.91 121.76 120.87 1pl3 s ALA 144 Ca 0.16 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1pl3 s ALA 144 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1pl3 s ALA 144 CO 0.06 0.06 -0.04 0.12 0.00 0.00 0.00 175.76 175.95 1pl3 s PHE 145 N -1.04 0.36 0.00 0.00 2.19 -0.11 -0.74 117.98 118.65 1pl3 s PHE 145 Ca -0.05 -0.15 0.02 0.00 0.33 0.00 0.00 56.93 57.07 1pl3 s PHE 145 Cb -0.08 -0.23 -0.01 0.00 -1.31 0.00 0.00 43.02 41.39 1pl3 s PHE 145 CO 0.01 -0.03 -0.05 0.45 1.83 0.00 0.00 175.22 177.42 1pl3 s SER 146 N -0.38 0.61 -0.04 6.13 0.15 -0.94 -0.54 113.70 118.70 1pl3 s SER 146 Ca -0.01 -0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.64 1pl3 s SER 146 Cb -0.03 -0.05 0.53 0.00 -1.71 0.00 0.00 66.02 64.76 1pl3 s SER 146 CO -0.00 0.02 1.43 -0.46 1.20 0.00 0.00 173.24 175.42 1pl3 n ASN 147 N 2.72 3.38 -4.33 5.45 0.23 -1.26 -1.18 115.26 120.27 1pl3 n ASN 147 Ca -0.14 -2.15 -0.33 0.00 -0.53 0.00 0.00 54.58 51.43 1pl3 n ASN 147 Cb 0.58 -0.44 -0.15 0.00 -2.08 0.00 0.00 39.78 37.69 1pl3 n ASN 147 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pl3 s VAL 148 N -1.47 2.74 0.59 3.53 1.01 -1.26 -4.72 120.40 120.82 1pl3 s VAL 148 Ca 0.39 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1pl3 s VAL 148 Cb 0.22 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1pl3 s VAL 148 CO 0.23 0.54 1.34 0.00 0.00 0.00 0.00 175.10 177.21 1pl3 n ALA 149 N 3.42 1.43 -1.08 5.51 0.00 -1.26 -4.55 120.51 123.98 1pl3 n ALA 149 Ca -0.18 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1pl3 n ALA 149 Cb 0.53 -2.35 0.14 0.00 0.00 0.00 0.00 19.45 17.77 1pl3 n ALA 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pl3 s VAL 150 N -1.32 2.65 0.31 0.00 -7.23 -1.26 -4.80 120.40 108.75 1pl3 s VAL 150 Ca 0.76 0.21 0.05 0.00 -1.81 0.00 0.00 61.98 61.20 1pl3 s VAL 150 Cb -0.40 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.03 1pl3 s VAL 150 CO 0.45 -0.28 1.76 0.44 -0.31 0.00 0.00 175.10 177.17 1pl3 h ASP 151 N -1.61 0.35 -2.15 4.85 3.32 -1.57 -3.38 116.42 116.23 1pl3 h ASP 151 Ca -0.48 -0.12 -0.38 0.00 0.02 0.00 0.00 57.03 56.07 1pl3 h ASP 151 Cb 1.28 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1pl3 h ASP 151 CO 0.52 0.62 -0.69 -0.62 -1.72 0.00 0.00 179.24 177.35 1pl3 s ASP 152 N -6.84 1.70 0.64 6.45 3.68 -1.26 -5.04 116.67 116.00 1pl3 s ASP 152 Ca -0.06 -1.27 0.40 0.00 2.13 0.00 0.00 52.55 53.75 1pl3 s ASP 152 Cb 0.14 0.39 2.24 0.00 -1.45 0.00 0.00 42.92 44.24 1pl3 s ASP 152 CO 0.77 -0.33 2.33 -0.65 0.13 0.00 0.00 175.17 177.42 1pl3 h PRO 153 N 7.65 0.00 0.00 4.34 0.11 -1.96 -1.38 132.00 140.75 1pl3 h PRO 153 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pl3 h PRO 153 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pl3 h PRO 153 CO 0.28 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.94 1pl3 n SER 154 N -3.30 0.67 -4.51 -2.05 3.41 -1.26 -4.74 113.62 101.83 1pl3 n SER 154 Ca -0.03 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.74 1pl3 n SER 154 Cb 0.08 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.18 1pl3 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pl3 s ASP 155 N -4.25 6.11 0.55 4.04 2.15 -0.52 -4.95 116.67 119.80 1pl3 s ASP 155 Ca 0.11 -0.50 0.24 0.00 0.43 0.00 0.00 52.55 52.82 1pl3 s ASP 155 Cb 0.13 -2.16 1.46 0.00 -0.30 0.00 0.00 42.92 42.05 1pl3 s ASP 155 CO 0.57 -0.34 2.09 -0.65 -0.17 0.00 0.00 175.17 176.67 1pl3 h PRO 156 N 8.53 0.00 -0.68 4.34 0.11 -1.85 -0.76 132.00 141.70 1pl3 h PRO 156 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pl3 h PRO 156 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pl3 h PRO 156 CO 0.68 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.51 1pl3 n GLN 157 N -4.22 4.04 -1.67 1.05 1.13 -1.26 -4.58 117.38 111.87 1pl3 n GLN 157 Ca 0.03 -2.45 -0.40 0.00 -1.94 0.00 0.00 57.00 52.24 1pl3 n GLN 157 Cb 0.34 -2.10 0.02 0.00 0.11 0.00 0.00 30.24 28.61 1pl3 n GLN 157 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1pl3 n SER 158 N 0.49 1.96 -4.81 1.08 2.88 -0.29 -5.00 113.62 109.92 1pl3 n SER 158 Ca 0.22 1.03 -0.29 0.00 -1.33 0.00 0.00 58.87 58.50 1pl3 n SER 158 Cb 0.99 -1.45 0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1pl3 n SER 158 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pl3 s THR 159 N -1.27 2.28 0.13 2.46 -4.23 -1.26 -4.92 115.64 108.83 1pl3 s THR 159 Ca 0.65 0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 61.00 1pl3 s THR 159 Cb -0.50 -2.89 0.08 0.00 1.34 0.00 0.00 72.50 70.53 1pl3 s THR 159 CO 0.55 -0.12 1.03 0.72 -0.54 0.00 0.00 174.62 176.26 1pl3 s PHE 160 N -3.30 -0.08 0.40 3.99 -0.12 -1.26 -1.36 117.98 116.26 1pl3 s PHE 160 Ca 0.63 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 57.32 1pl3 s PHE 160 Cb -0.14 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1pl3 s PHE 160 CO 0.53 -0.75 0.59 -1.54 -0.05 0.00 0.00 175.22 174.00 1pl3 s SER 161 N -3.04 5.91 0.37 1.98 1.04 -1.26 -5.00 113.70 113.71 1pl3 s SER 161 Ca 0.14 0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 1pl3 s SER 161 Cb -0.01 -1.48 -0.12 0.00 0.10 0.00 0.00 66.02 64.52 1pl3 s SER 161 CO 0.02 -0.58 1.03 1.21 0.98 0.00 0.00 173.24 175.90 1pl3 n GLU 162 N -1.91 1.43 -1.55 4.02 2.13 -1.26 -4.92 120.64 118.57 1pl3 n GLU 162 Ca 0.00 0.51 -0.39 0.00 0.66 0.00 0.00 57.16 57.94 1pl3 n GLU 162 Cb 0.58 -2.01 0.03 0.00 0.27 0.00 0.00 31.44 30.31 1pl3 n GLU 162 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1pl3 n HIS 163 N -0.19 0.34 0.60 4.31 -0.00 -1.26 -4.92 115.22 114.09 1pl3 n HIS 163 Ca 0.09 0.49 0.12 0.00 -0.00 0.00 0.00 57.72 58.41 1pl3 n HIS 163 Cb 0.37 -2.09 0.13 0.00 -0.00 0.00 0.00 29.99 28.40 1pl3 n HIS 163 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1pl3 n THR 164 N -1.30 0.28 -3.55 0.61 -2.24 0.30 -4.93 114.28 103.45 1pl3 n THR 164 Ca 0.12 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1pl3 n THR 164 Cb 0.44 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1pl3 n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pl3 s ASP 165 N -4.06 -0.46 0.15 3.42 2.15 -1.01 -5.03 116.67 111.84 1pl3 s ASP 165 Ca 0.06 0.15 -0.08 0.00 0.43 0.00 0.00 52.55 53.10 1pl3 s ASP 165 Cb 0.14 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.26 1pl3 s ASP 165 CO 0.74 -0.76 0.26 0.72 -0.17 0.00 0.00 175.17 175.96 1pl3 s PHE 166 N -2.68 0.41 0.24 -5.34 -0.12 -1.26 -0.93 117.98 108.30 1pl3 s PHE 166 Ca -0.04 -0.78 -0.22 0.00 -0.05 0.00 0.00 56.93 55.83 1pl3 s PHE 166 Cb -0.00 -0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1pl3 s PHE 166 CO -0.04 -0.69 0.83 0.20 -0.05 0.00 0.00 175.22 175.48 1pl3 s GLY 167 N -2.96 -0.10 0.14 1.99 0.00 -0.80 -5.00 107.32 100.58 1pl3 s GLY 167 Ca 0.17 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.78 1pl3 s GLY 167 CO -0.01 0.03 -0.16 -1.36 0.00 0.00 0.00 173.10 171.60 1pl3 s PHE 168 N -3.49 1.60 -0.18 1.90 0.40 -1.26 -1.04 117.98 115.91 1pl3 s PHE 168 Ca 0.12 -0.52 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 1pl3 s PHE 168 Cb -0.04 -0.82 0.05 0.00 0.51 0.00 0.00 43.02 42.73 1pl3 s PHE 168 CO 0.05 0.23 0.54 -0.59 0.70 0.00 0.00 175.22 176.15 1pl3 s PHE 169 N -2.09 -0.57 0.31 0.36 -0.71 -0.12 -4.85 117.98 110.31 1pl3 s PHE 169 Ca 0.12 1.34 -0.29 0.00 -1.04 0.00 0.00 56.93 57.06 1pl3 s PHE 169 Cb -0.05 0.21 -0.10 0.00 -1.21 0.00 0.00 43.02 41.87 1pl3 s PHE 169 CO 0.05 -0.32 1.16 0.20 -1.34 0.00 0.00 175.22 174.96 1pl3 s GLY 170 N 0.05 3.03 -0.02 1.99 0.00 -1.26 -0.92 107.32 110.19 1pl3 s GLY 170 Ca -0.02 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1pl3 s GLY 170 CO 0.02 1.60 -0.00 -1.50 0.00 0.00 0.00 173.10 173.21 1pl3 s ILE 171 N -1.19 0.13 -0.80 0.90 2.07 -0.27 -0.71 121.20 121.31 1pl3 s ILE 171 Ca 0.47 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 59.56 1pl3 s ILE 171 Cb -0.34 -0.18 0.13 0.00 0.13 0.00 0.00 42.46 42.20 1pl3 s ILE 171 CO 0.44 0.09 0.96 -0.62 -1.91 0.00 0.00 174.94 173.91 1pl3 s ASP 172 N 0.60 6.49 0.53 4.50 -1.08 -1.26 -0.70 116.67 125.75 1pl3 s ASP 172 Ca -0.06 -1.85 0.19 0.00 -0.52 0.00 0.00 52.55 50.32 1pl3 s ASP 172 Cb -0.08 -2.36 1.36 0.00 -1.46 0.00 0.00 42.92 40.38 1pl3 s ASP 172 CO -0.01 -1.06 2.14 1.88 0.52 0.00 0.00 175.17 178.63 1pl3 h TYR 173 N 8.87 0.00 -0.05 -5.34 0.05 -1.35 -1.93 116.97 117.22 1pl3 h TYR 173 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1pl3 h TYR 173 Cb 1.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1pl3 h TYR 173 CO 1.05 0.00 0.05 0.66 -1.05 0.00 0.00 178.16 178.87 1pl3 h SER 174 N 0.00 0.00 -0.61 3.88 4.64 -1.62 -1.74 113.55 118.09 1pl3 h SER 174 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pl3 h SER 174 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1pl3 h SER 174 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1pl3 n THR 175 N -3.96 0.95 -0.67 2.95 -2.24 -0.73 -4.44 114.28 106.13 1pl3 n THR 175 Ca -0.02 -0.97 0.09 0.00 -2.27 0.00 0.00 64.05 60.87 1pl3 n THR 175 Cb 0.15 0.55 0.33 0.00 -2.10 0.00 0.00 70.33 69.26 1pl3 n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pl3 n ALA 176 N 1.37 3.09 -2.56 6.98 0.00 -0.65 -4.97 120.51 123.77 1pl3 n ALA 176 Ca 0.21 -1.71 -0.31 0.00 0.00 0.00 0.00 53.44 51.63 1pl3 n ALA 176 Cb 0.57 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1pl3 n ALA 176 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pl3 s HIS 177 N -2.03 3.45 -0.02 0.00 3.76 -1.26 -0.99 115.29 118.20 1pl3 s HIS 177 Ca 0.48 0.69 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 1pl3 s HIS 177 Cb 0.32 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.92 1pl3 s HIS 177 CO 0.20 0.35 -0.02 0.45 -0.85 0.00 0.00 174.74 174.87 1pl3 s SER 178 N -2.48 0.53 0.57 1.40 0.15 -0.13 -4.85 113.70 108.90 1pl3 s SER 178 Ca 0.44 -0.06 0.30 0.00 0.70 0.00 0.00 55.95 57.32 1pl3 s SER 178 Cb -0.12 -0.21 1.71 0.00 -1.71 0.00 0.00 66.02 65.69 1pl3 s SER 178 CO 0.24 -0.04 2.19 0.00 1.20 0.00 0.00 173.24 176.82 1pl3 h ALA 179 N 6.85 1.40 -0.20 5.45 0.00 -1.95 -2.66 119.26 128.16 1pl3 h ALA 179 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pl3 h ALA 179 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pl3 h ALA 179 CO 0.49 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.89 1pl3 n ASN 180 N -3.73 1.23 -0.22 0.00 3.02 -1.26 -4.44 115.26 109.86 1pl3 n ASN 180 Ca -0.03 -1.87 -0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1pl3 n ASN 180 Cb 0.14 -0.13 0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1pl3 n ASN 180 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1pl3 h TYR 181 N 1.43 0.58 -0.50 3.10 5.03 -1.79 -1.04 116.97 123.78 1pl3 h TYR 181 Ca 0.00 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 1pl3 h TYR 181 Cb 0.32 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1pl3 h TYR 181 CO 0.13 0.24 0.01 0.37 -1.32 0.00 0.00 178.16 177.59 1pl3 h GLN 182 N 0.58 0.84 -0.39 1.82 5.75 -1.85 -1.31 115.11 120.55 1pl3 h GLN 182 Ca 0.30 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1pl3 h GLN 182 Cb 0.26 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1pl3 h GLN 182 CO -0.22 0.83 0.03 -0.91 -2.65 0.00 0.00 178.83 175.92 1pl3 h ASN 183 N 0.78 0.56 -0.04 -0.69 2.35 -1.55 -2.60 115.58 114.38 1pl3 h ASN 183 Ca 0.15 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1pl3 h ASN 183 Cb 0.46 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1pl3 h ASN 183 CO 0.02 0.61 -0.10 1.88 -1.65 0.00 0.00 177.43 178.18 1pl3 h TYR 184 N 0.57 0.33 0.00 1.19 0.05 -0.09 -2.84 116.97 116.19 1pl3 h TYR 184 Ca 0.12 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 1pl3 h TYR 184 Cb 0.31 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1pl3 h TYR 184 CO 0.01 0.42 -0.60 -0.07 -1.05 0.00 0.00 178.16 176.87 1pl3 h LEU 185 N 0.30 0.00 0.00 3.88 3.38 -1.07 -3.50 115.31 118.30 1pl3 h LEU 185 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pl3 h LEU 185 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pl3 h LEU 185 CO 0.02 0.60 0.00 0.59 0.09 0.00 0.00 178.44 179.74