#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np6 s ILE 7 N 0.00 3.00 0.33 3.17 -4.36 -1.26 -4.96 121.20 117.13 1np6 s ILE 7 Ca 0.00 0.47 -0.29 0.00 -0.26 0.00 0.00 60.65 60.57 1np6 s ILE 7 Cb 0.00 -2.99 -0.11 0.00 1.25 0.00 0.00 42.46 40.62 1np6 s ILE 7 CO 0.00 -0.29 1.43 -2.84 0.24 0.00 0.00 174.94 173.48 1np6 s PRO 8 N -4.06 4.22 -0.13 0.37 0.02 -1.26 -4.89 135.00 129.26 1np6 s PRO 8 Ca 0.69 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 64.09 1np6 s PRO 8 Cb -0.23 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1np6 s PRO 8 CO 0.43 -0.41 -0.03 -0.51 -0.33 0.00 0.00 177.00 176.14 1np6 s LEU 9 N -1.58 3.30 -0.08 -5.54 1.43 -1.26 -1.88 118.68 113.07 1np6 s LEU 9 Ca 0.53 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1np6 s LEU 9 Cb -0.44 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1np6 s LEU 9 CO 0.55 0.24 -0.01 -0.22 0.23 0.00 0.00 176.35 177.15 1np6 s LEU 10 N -0.07 0.66 0.35 1.79 2.96 -0.65 -4.27 118.68 119.45 1np6 s LEU 10 Ca 0.02 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1np6 s LEU 10 Cb -0.13 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.00 1np6 s LEU 10 CO 0.02 -0.19 0.72 0.00 -1.32 0.00 0.00 176.35 175.59 1np6 s ALA 11 N 1.94 3.38 -0.06 5.97 0.00 0.17 -0.74 121.76 132.41 1np6 s ALA 11 Ca 0.05 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1np6 s ALA 11 Cb -0.12 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1np6 s ALA 11 CO -0.06 0.17 -0.20 -0.06 0.00 0.00 0.00 175.76 175.61 1np6 s PHE 12 N -2.18 2.01 -0.02 0.00 0.40 -0.19 -1.65 117.98 116.36 1np6 s PHE 12 Ca 0.51 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1np6 s PHE 12 Cb -0.10 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1np6 s PHE 12 CO 0.26 -0.24 -0.10 0.00 0.70 0.00 0.00 175.22 175.84 1np6 s ALA 13 N 0.14 0.89 0.09 5.36 0.00 -0.76 -4.52 121.76 122.96 1np6 s ALA 13 Ca -0.08 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 1np6 s ALA 13 Cb -0.14 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.73 1np6 s ALA 13 CO 0.04 0.16 0.55 0.00 0.00 0.00 0.00 175.76 176.51 1np6 s ALA 14 N 0.09 -1.43 0.46 0.00 0.00 -1.26 -1.02 121.76 118.60 1np6 s ALA 14 Ca -0.02 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 1np6 s ALA 14 Cb -0.08 0.59 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 1np6 s ALA 14 CO 0.00 -0.62 1.24 -1.58 0.00 0.00 0.00 175.76 174.80 1np6 s TRP 15 N -3.04 2.76 0.39 0.00 0.51 -1.26 -4.97 118.94 113.33 1np6 s TRP 15 Ca -0.02 1.48 -0.26 0.00 -2.12 0.00 0.00 56.10 55.18 1np6 s TRP 15 Cb -0.00 -3.53 -0.11 0.00 -0.81 0.00 0.00 33.47 29.01 1np6 s TRP 15 CO -0.07 -1.91 1.09 0.45 -0.51 0.00 0.00 176.95 176.01 1np6 n SER 16 N -0.40 1.67 0.00 2.95 2.88 -1.26 -1.74 113.62 117.72 1np6 n SER 16 Ca 0.07 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1np6 n SER 16 Cb 0.46 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1np6 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1np6 n GLY 17 N 1.08 1.39 0.16 0.46 0.00 -1.26 -4.92 105.19 102.09 1np6 n GLY 17 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1np6 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1np6 h THR 18 N 0.00 0.00 -0.14 2.61 2.02 -1.67 -3.48 112.91 112.26 1np6 h THR 18 Ca 0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1np6 h THR 18 Cb 0.00 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1np6 h THR 18 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1np6 n GLY 19 N 1.18 1.25 0.09 2.16 0.00 -1.26 -4.85 105.19 103.76 1np6 n GLY 19 Ca 0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1np6 n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1np6 h LYS 20 N 0.00 0.21 -0.49 1.61 3.64 -1.93 -1.86 116.57 117.75 1np6 h LYS 20 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1np6 h LYS 20 Cb 0.35 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1np6 h LYS 20 CO 0.00 0.17 0.26 1.15 -2.27 0.00 0.00 179.45 178.76 1np6 h THR 21 N 0.19 1.17 -0.85 1.00 2.02 -1.99 -0.07 112.91 114.37 1np6 h THR 21 Ca 0.06 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1np6 h THR 21 Cb 0.01 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1np6 h THR 21 CO -0.01 0.18 0.55 0.74 0.37 0.00 0.00 175.52 177.35 1np6 h THR 22 N 0.64 1.16 -0.19 3.16 2.02 -1.98 -1.21 112.91 116.52 1np6 h THR 22 Ca 0.17 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1np6 h THR 22 Cb 0.06 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1np6 h THR 22 CO -0.03 0.20 -0.03 0.25 0.37 0.00 0.00 175.52 176.28 1np6 h LEU 23 N 1.09 0.36 -0.81 2.58 5.85 -0.88 -2.89 115.31 120.61 1np6 h LEU 23 Ca 0.33 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1np6 h LEU 23 Cb -0.04 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 1np6 h LEU 23 CO -0.10 0.63 0.46 -0.07 -0.34 0.00 0.00 178.44 179.01 1np6 h LEU 24 N 0.08 0.65 -1.87 2.25 3.38 -0.82 0.19 115.31 119.17 1np6 h LEU 24 Ca 0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1np6 h LEU 24 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1np6 h LEU 24 CO 0.02 0.37 -0.12 0.11 0.09 0.00 0.00 178.44 178.91 1np6 h LYS 25 N 0.77 0.00 0.11 1.13 1.57 -1.13 -1.27 116.57 117.74 1np6 h LYS 25 Ca 0.39 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.86 1np6 h LYS 25 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1np6 h LYS 25 CO -0.25 0.12 -1.58 0.87 -0.57 0.00 0.00 179.45 178.04 1np6 h LYS 26 N 0.00 0.22 -0.52 3.15 1.57 -1.13 -3.39 116.57 116.47 1np6 h LYS 26 Ca -0.00 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 1np6 h LYS 26 Cb 0.23 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1np6 h LYS 26 CO 0.02 1.07 -0.10 1.25 -0.57 0.00 0.00 179.45 181.11 1np6 h LEU 27 N 0.06 0.99 -0.06 2.94 5.85 -0.05 -3.26 115.31 121.78 1np6 h LEU 27 Ca -0.26 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.14 1np6 h LEU 27 Cb 2.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 1np6 h LEU 27 CO 0.15 1.11 -0.13 0.40 -0.34 0.00 0.00 178.44 179.63 1np6 h ILE 28 N 0.86 0.66 -0.12 4.05 2.04 -1.45 -1.22 117.51 122.34 1np6 h ILE 28 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1np6 h ILE 28 Cb 0.66 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1np6 h ILE 28 CO 0.05 0.00 -0.07 -0.65 0.00 0.00 0.00 178.15 177.48 1np6 h PRO 29 N -0.19 0.17 -0.34 2.37 0.11 -1.77 -0.25 132.00 132.10 1np6 h PRO 29 Ca 0.07 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 1np6 h PRO 29 Cb 0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1np6 h PRO 29 CO -0.17 0.25 -0.26 0.00 -0.21 0.00 0.00 178.00 177.61 1np6 h ALA 30 N 1.77 0.92 -0.20 -0.75 0.00 -1.51 0.67 119.26 120.16 1np6 h ALA 30 Ca 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1np6 h ALA 30 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1np6 h ALA 30 CO 0.01 0.62 -0.38 -0.07 0.00 0.00 0.00 179.25 179.43 1np6 h LEU 31 N 0.59 0.69 -0.53 0.00 3.38 -0.62 -3.06 115.31 115.76 1np6 h LEU 31 Ca 0.08 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.57 1np6 h LEU 31 Cb 0.75 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1np6 h LEU 31 CO 0.06 1.10 0.22 0.00 0.09 0.00 0.00 178.44 179.91 1np6 h ALA 33 N 1.33 1.24 -0.53 0.00 0.00 -0.83 -1.45 119.26 119.02 1np6 h ALA 33 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1np6 h ALA 33 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1np6 h ALA 33 CO -0.23 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.57 1np6 n ARG 34 N -3.43 2.23 -0.72 0.00 1.74 -0.68 -4.93 116.66 110.87 1np6 n ARG 34 Ca -0.03 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 1np6 n ARG 34 Cb 0.09 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1np6 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1np6 n GLY 35 N 1.35 0.73 3.76 -0.13 0.00 -0.55 -5.05 105.19 105.30 1np6 n GLY 35 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1np6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1np6 s ILE 36 N -2.56 4.40 -0.45 -0.61 -1.09 -0.79 -5.00 121.20 115.09 1np6 s ILE 36 Ca 0.00 1.77 -0.08 0.00 -2.23 0.00 0.00 60.65 60.11 1np6 s ILE 36 Cb 0.00 -4.17 0.11 0.00 -1.58 0.00 0.00 42.46 36.82 1np6 s ILE 36 CO 0.00 0.48 0.30 -0.13 -1.23 0.00 0.00 174.94 174.36 1np6 s ARG 37 N -0.88 2.42 0.09 2.79 3.00 -1.26 -3.84 118.95 121.27 1np6 s ARG 37 Ca 0.38 -1.72 -0.12 0.00 0.00 0.00 0.00 55.73 54.27 1np6 s ARG 37 Cb -0.23 -3.84 -0.06 0.00 0.00 0.00 0.00 34.95 30.82 1np6 s ARG 37 CO 0.27 -1.13 0.45 -1.25 0.00 0.00 0.00 175.30 173.63 1np6 s PRO 38 N 1.33 3.84 0.37 3.54 0.05 -1.26 -1.16 135.00 141.71 1np6 s PRO 38 Ca 0.06 0.30 0.08 0.00 0.05 0.00 0.00 61.00 61.48 1np6 s PRO 38 Cb -0.25 -3.00 -0.04 0.00 0.05 0.00 0.00 34.50 31.27 1np6 s PRO 38 CO -0.01 0.55 0.23 0.20 0.05 0.00 0.00 177.00 178.02 1np6 s GLY 39 N -1.69 2.03 -0.10 0.56 0.00 0.54 -4.98 107.32 103.68 1np6 s GLY 39 Ca 0.34 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 1np6 s GLY 39 CO 0.18 -1.74 0.25 -2.27 0.00 0.00 0.00 173.10 169.52 1np6 s LEU 40 N -3.95 0.62 -0.20 0.66 0.20 -1.26 -1.15 118.68 113.60 1np6 s LEU 40 Ca 0.41 0.53 0.01 0.00 0.69 0.00 0.00 54.13 55.77 1np6 s LEU 40 Cb -0.02 0.80 0.02 0.00 -0.43 0.00 0.00 46.19 46.56 1np6 s LEU 40 CO 0.24 -0.14 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.38 1np6 s ILE 41 N 0.86 2.25 -0.11 6.68 1.01 -0.52 -4.96 121.20 126.41 1np6 s ILE 41 Ca -0.06 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.59 1np6 s ILE 41 Cb -0.07 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1np6 s ILE 41 CO -0.06 0.41 -0.20 -0.75 0.00 0.00 0.00 174.94 174.34 1np6 s LYS 42 N 1.28 2.67 -0.11 2.79 2.20 -1.26 -1.54 119.74 125.77 1np6 s LYS 42 Ca 0.02 -0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 54.74 1np6 s LYS 42 Cb -0.15 -2.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 1np6 s LYS 42 CO -0.10 0.05 0.37 -1.58 -0.36 0.00 0.00 175.35 173.73 1np6 s HIS 43 N 0.66 3.53 0.29 4.03 5.65 -0.60 -5.01 115.29 123.84 1np6 s HIS 43 Ca -0.12 0.76 0.05 0.00 0.25 0.00 0.00 55.06 56.00 1np6 s HIS 43 Cb -0.16 -2.38 -0.06 0.00 -1.18 0.00 0.00 32.58 28.79 1np6 s HIS 43 CO 0.03 0.31 0.00 0.95 -0.65 0.00 0.00 174.74 175.39 1np6 s THR 44 N 0.17 1.34 -0.06 0.89 -4.23 -1.26 -4.65 115.64 107.83 1np6 s THR 44 Ca 0.21 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 1np6 s THR 44 Cb -0.14 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 1np6 s THR 44 CO 0.08 -0.17 -0.24 -1.00 -0.54 0.00 0.00 174.62 172.74 1np6 s HIS 45 N -3.21 2.47 0.25 3.99 3.76 -1.26 -5.18 115.29 116.12 1np6 s HIS 45 Ca 0.32 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1np6 s HIS 45 Cb 0.06 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1np6 s HIS 45 CO 0.13 -0.23 0.00 1.58 -0.85 0.00 0.00 174.74 175.37 1np6 n HIS 46 N 3.01 -4.00 -0.08 1.40 -0.00 -1.26 -5.35 115.22 108.95 1np6 n HIS 46 Ca -0.18 2.22 -0.15 0.00 -0.00 0.00 0.00 57.72 59.61 1np6 n HIS 46 Cb 0.52 -3.07 -0.14 0.00 -0.00 0.00 0.00 29.99 27.31 1np6 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1np6 n GLU 59 N 1.10 0.68 0.17 1.57 2.13 -1.26 -5.29 120.64 119.74 1np6 n GLU 59 Ca 0.00 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.10 1np6 n GLU 59 Cb 0.00 -1.60 0.18 0.00 0.27 0.00 0.00 31.44 30.28 1np6 n GLU 59 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1np6 h LEU 60 N 0.02 0.00 0.01 4.31 3.38 -2.00 0.23 115.31 121.25 1np6 h LEU 60 Ca -0.49 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.24 1np6 h LEU 60 Cb 2.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.81 1np6 h LEU 60 CO 0.01 0.01 -0.90 0.03 0.09 0.00 0.00 178.44 177.67 1np6 h ARG 61 N 0.00 0.59 -0.01 1.13 3.08 -1.96 -2.62 114.38 114.60 1np6 h ARG 61 Ca 0.00 -0.65 -0.04 0.00 0.07 0.00 0.00 59.98 59.36 1np6 h ARG 61 Cb 0.95 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1np6 h ARG 61 CO 0.00 1.26 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.74 1np6 h LYS 62 N 0.20 0.01 -0.01 0.04 3.64 -1.89 -2.22 116.57 116.35 1np6 h LYS 62 Ca -0.12 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1np6 h LYS 62 Cb 1.58 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 1np6 h LYS 62 CO 0.18 0.21 -0.57 0.00 -2.27 0.00 0.00 179.45 176.99 1np6 h ALA 63 N 1.79 1.04 0.00 5.00 0.00 -0.95 -3.48 119.26 122.68 1np6 h ALA 63 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1np6 h ALA 63 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1np6 h ALA 63 CO 0.03 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1np6 n GLY 64 N 0.11 1.13 3.66 0.00 0.00 -0.83 -5.07 105.19 104.20 1np6 n GLY 64 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1np6 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1np6 s ALA 65 N -1.13 3.68 0.33 4.61 0.00 -1.09 -4.92 121.76 123.24 1np6 s ALA 65 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.22 1np6 s ALA 65 Cb 0.00 -3.56 0.59 0.00 0.00 0.00 0.00 23.12 20.15 1np6 s ALA 65 CO 0.00 -1.08 1.77 0.00 0.00 0.00 0.00 175.76 176.46 1np6 h ALA 66 N 7.50 1.26 -3.50 0.00 0.00 -1.93 -3.42 119.26 119.17 1np6 h ALA 66 Ca -0.19 -0.36 -0.43 0.00 0.00 0.00 0.00 54.91 53.93 1np6 h ALA 66 Cb 1.06 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.44 1np6 h ALA 66 CO 0.98 0.52 -0.78 -0.65 0.00 0.00 0.00 179.25 179.32 1np6 s GLN 67 N -4.24 0.99 -0.06 0.00 -0.21 -1.26 -1.19 119.66 113.69 1np6 s GLN 67 Ca -0.04 -0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.16 1np6 s GLN 67 Cb 0.14 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 33.24 1np6 s GLN 67 CO 0.75 -0.04 -0.05 0.99 -2.12 0.00 0.00 175.29 174.83 1np6 s THR 68 N 0.76 0.64 -0.17 -0.19 2.01 -0.45 -5.00 115.64 113.24 1np6 s THR 68 Ca -0.11 -0.14 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1np6 s THR 68 Cb -0.14 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1np6 s THR 68 CO 0.01 0.27 0.07 -0.63 -0.69 0.00 0.00 174.62 173.64 1np6 s ILE 69 N 1.18 4.86 -0.16 1.82 1.01 -1.26 -0.53 121.20 128.13 1np6 s ILE 69 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1np6 s ILE 69 Cb -0.14 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.18 1np6 s ILE 69 CO -0.01 0.48 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 1np6 s VAL 70 N 0.18 1.70 -0.12 2.92 1.01 -0.48 -4.98 120.40 120.63 1np6 s VAL 70 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1np6 s VAL 70 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1np6 s VAL 70 CO 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 1np6 s ALA 71 N 1.44 2.59 0.39 5.51 0.00 -1.26 -0.85 121.76 129.57 1np6 s ALA 71 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1np6 s ALA 71 Cb -0.13 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1np6 s ALA 71 CO -0.11 0.30 0.13 -1.54 0.00 0.00 0.00 175.76 174.53 1np6 s SER 72 N 0.20 2.56 0.18 0.00 1.04 -0.13 -5.01 113.70 112.54 1np6 s SER 72 Ca -0.08 -1.64 -0.13 0.00 0.48 0.00 0.00 55.95 54.58 1np6 s SER 72 Cb -0.15 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.54 1np6 s SER 72 CO 0.05 -0.90 1.77 -0.61 0.98 0.00 0.00 173.24 174.54 1np6 h GLN 73 N 1.88 0.44 0.00 4.02 4.15 -2.05 -3.19 115.11 120.36 1np6 h GLN 73 Ca -0.35 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 58.93 1np6 h GLN 73 Cb 1.27 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1np6 h GLN 73 CO 0.57 0.29 -0.53 1.96 -1.93 0.00 0.00 178.83 179.19 1np6 h GLN 74 N 0.45 0.00 -1.09 1.69 7.50 -2.03 -3.48 115.11 118.15 1np6 h GLN 74 Ca 0.22 0.00 0.33 0.00 0.50 0.00 0.00 58.65 59.70 1np6 h GLN 74 Cb 0.16 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 27.49 1np6 h GLN 74 CO -0.18 0.53 0.96 -0.98 -1.50 0.00 0.00 178.83 177.66 1np6 s ARG 75 N -2.96 0.06 0.10 1.46 1.70 -1.20 -5.19 118.95 112.92 1np6 s ARG 75 Ca 0.04 -0.02 0.04 0.00 -0.47 0.00 0.00 55.73 55.31 1np6 s ARG 75 Cb 0.08 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1np6 s ARG 75 CO 0.75 -0.03 -0.11 1.67 -1.08 0.00 0.00 175.30 176.50 1np6 s TRP 76 N -2.08 1.13 0.03 5.89 1.48 -1.26 -0.96 118.94 123.17 1np6 s TRP 76 Ca 0.12 -0.64 0.06 0.00 -1.06 0.00 0.00 56.10 54.57 1np6 s TRP 76 Cb 0.00 -0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 31.68 1np6 s TRP 76 CO -0.03 0.03 -0.17 0.00 -4.06 0.00 0.00 176.95 172.72 1np6 s ALA 77 N -2.44 1.45 -0.18 2.67 0.00 -0.03 -4.99 121.76 118.23 1np6 s ALA 77 Ca 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1np6 s ALA 77 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1np6 s ALA 77 CO 0.01 0.32 -0.11 -1.17 0.00 0.00 0.00 175.76 174.80 1np6 s LEU 78 N -0.95 2.66 -0.17 0.00 1.98 -1.26 -1.38 118.68 119.55 1np6 s LEU 78 Ca 0.05 -0.43 0.01 0.00 -2.89 0.00 0.00 54.13 50.87 1np6 s LEU 78 Cb -0.08 -1.63 0.01 0.00 0.66 0.00 0.00 46.19 45.15 1np6 s LEU 78 CO 0.01 0.05 -0.18 -0.04 -1.89 0.00 0.00 176.35 174.30 1np6 s MET 79 N 1.02 3.08 -0.22 1.98 -1.94 0.31 -4.99 119.30 118.55 1np6 s MET 79 Ca -0.01 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 1np6 s MET 79 Cb -0.15 -2.60 0.04 0.00 2.01 0.00 0.00 34.83 34.14 1np6 s MET 79 CO -0.02 -0.12 -0.15 0.99 -0.01 0.00 0.00 175.02 175.71 1np6 s THR 80 N 1.11 2.14 0.11 2.05 2.01 -1.26 -1.34 115.64 120.45 1np6 s THR 80 Ca 0.00 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 1np6 s THR 80 Cb -0.14 -2.08 -0.06 0.00 0.01 0.00 0.00 72.50 70.23 1np6 s THR 80 CO -0.07 0.25 1.02 -0.70 -0.69 0.00 0.00 174.62 174.44 1np6 s GLU 81 N 1.20 4.63 -0.52 4.92 2.56 -0.34 -5.01 118.70 126.14 1np6 s GLU 81 Ca -0.02 1.54 0.07 0.00 0.00 0.00 0.00 54.97 56.56 1np6 s GLU 81 Cb -0.16 -3.36 0.27 0.00 2.00 0.00 0.00 34.13 32.87 1np6 s GLU 81 CO -0.09 0.10 0.69 0.25 -0.56 0.00 0.00 175.26 175.65 1np6 n THR 82 N 2.96 1.15 0.27 -1.70 -2.24 -1.26 -4.96 114.28 108.50 1np6 n THR 82 Ca 0.04 -4.78 0.14 0.00 -2.27 0.00 0.00 64.05 57.17 1np6 n THR 82 Cb 0.48 -1.81 0.72 0.00 -2.10 0.00 0.00 70.33 67.62 1np6 n THR 82 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1np6 h PRO 83 N 3.87 0.00 0.00 -0.78 0.13 -2.00 -3.26 132.00 129.96 1np6 h PRO 83 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1np6 h PRO 83 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1np6 h PRO 83 CO 0.67 0.10 -0.79 -0.25 -0.23 0.00 0.00 178.00 177.50 1np6 n ASP 84 N -3.39 0.96 -3.49 1.44 8.00 -1.26 -5.00 116.55 113.81 1np6 n ASP 84 Ca -0.01 -0.59 0.01 0.00 0.71 0.00 0.00 54.79 54.91 1np6 n ASP 84 Cb 0.28 1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.46 1np6 n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1np6 s GLU 85 N -2.28 0.24 0.41 -1.24 2.56 -1.23 -5.16 118.70 112.00 1np6 s GLU 85 Ca 0.02 0.50 -0.27 0.00 0.00 0.00 0.00 54.97 55.22 1np6 s GLU 85 Cb 0.09 0.19 -0.10 0.00 2.00 0.00 0.00 34.13 36.31 1np6 s GLU 85 CO 0.48 -0.06 1.46 -2.00 -0.56 0.00 0.00 175.26 174.58 1np6 s GLU 86 N 1.79 3.93 -0.41 4.30 2.12 -1.26 -4.82 118.70 124.35 1np6 s GLU 86 Ca -0.05 2.50 -0.26 0.00 0.36 0.00 0.00 54.97 57.52 1np6 s GLU 86 Cb -0.04 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.54 1np6 s GLU 86 CO -0.15 -0.65 0.92 -2.00 -0.54 0.00 0.00 175.26 172.84 1np6 s GLU 87 N -2.24 3.72 0.00 4.30 2.56 -1.26 -4.87 118.70 120.90 1np6 s GLU 87 Ca 0.56 0.40 0.00 0.00 0.00 0.00 0.00 54.97 55.93 1np6 s GLU 87 Cb -0.45 -3.85 0.00 0.00 2.00 0.00 0.00 34.13 31.83 1np6 s GLU 87 CO 0.60 -1.06 0.53 1.28 -0.56 0.00 0.00 175.26 176.05 1np6 n LEU 88 N 6.93 0.98 -4.52 2.70 4.77 -1.26 -4.98 117.00 121.62 1np6 n LEU 88 Ca 0.07 -0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 1np6 n LEU 88 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1np6 n LEU 88 CO 0.61 0.25 1.07 -0.62 -1.33 0.00 0.00 177.39 177.36 1np6 s ASP 89 N -0.23 6.19 0.21 -1.43 -1.08 -1.26 -4.90 116.67 114.17 1np6 s ASP 89 Ca 0.00 -0.66 -0.10 0.00 -0.52 0.00 0.00 52.55 51.27 1np6 s ASP 89 Cb 0.00 -2.52 0.16 0.00 -1.46 0.00 0.00 42.92 39.10 1np6 s ASP 89 CO 0.00 -1.71 1.86 -0.07 0.52 0.00 0.00 175.17 175.77 1np6 h LEU 90 N 12.54 0.92 -1.37 -1.34 3.38 -1.95 -2.08 115.31 125.40 1np6 h LEU 90 Ca -0.25 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1np6 h LEU 90 Cb 1.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1np6 h LEU 90 CO 1.26 0.70 0.09 1.56 0.09 0.00 0.00 178.44 182.14 1np6 h GLN 91 N 1.05 0.51 -0.13 1.13 1.08 -2.00 -1.36 115.11 115.40 1np6 h GLN 91 Ca 0.28 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1np6 h GLN 91 Cb -0.06 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1np6 h GLN 91 CO -0.05 0.47 -0.01 0.35 -0.95 0.00 0.00 178.83 178.64 1np6 h PHE 92 N 0.50 0.27 -0.18 2.96 3.57 -1.81 -2.63 116.94 119.63 1np6 h PHE 92 Ca 0.12 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1np6 h PHE 92 Cb 0.19 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1np6 h PHE 92 CO 0.01 0.50 0.09 -0.07 -2.23 0.00 0.00 178.31 176.60 1np6 h LEU 93 N -0.04 0.14 -0.90 0.59 3.38 -1.17 -2.34 115.31 114.96 1np6 h LEU 93 Ca 0.04 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1np6 h LEU 93 Cb 0.40 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1np6 h LEU 93 CO 0.01 0.11 0.52 0.00 0.09 0.00 0.00 178.44 179.16 1np6 h ALA 94 N 1.09 1.36 0.00 1.53 0.00 -1.29 -1.41 119.26 120.54 1np6 h ALA 94 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1np6 h ALA 94 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1np6 h ALA 94 CO -0.05 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1np6 h SER 95 N 0.78 0.00 0.96 0.00 4.64 -1.03 -1.81 113.55 117.08 1np6 h SER 95 Ca 0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.66 1np6 h SER 95 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1np6 h SER 95 CO -0.31 0.00 -0.64 0.03 -0.87 0.00 0.00 176.83 175.03 1np6 h ARG 96 N 0.00 0.00 -7.22 4.77 2.47 -1.04 -3.45 114.38 109.91 1np6 h ARG 96 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1np6 h ARG 96 Cb 0.10 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 28.51 1np6 h ARG 96 CO 0.00 0.64 0.37 -1.64 0.56 0.00 0.00 179.97 179.91 1np6 s MET 97 N -3.22 2.97 -0.84 0.04 -1.94 -0.68 -4.97 119.30 110.66 1np6 s MET 97 Ca 0.01 1.27 -0.19 0.00 -1.71 0.00 0.00 55.69 55.07 1np6 s MET 97 Cb 0.10 -1.98 0.12 0.00 2.01 0.00 0.00 34.83 35.08 1np6 s MET 97 CO 0.76 -1.10 1.04 0.34 -0.01 0.00 0.00 175.02 176.05 1np6 s ASP 98 N -2.81 6.50 0.09 3.03 2.15 -1.26 -4.89 116.67 119.48 1np6 s ASP 98 Ca 0.65 -1.80 0.21 0.00 0.43 0.00 0.00 52.55 52.04 1np6 s ASP 98 Cb -0.18 -2.39 0.85 0.00 -0.30 0.00 0.00 42.92 40.90 1np6 s ASP 98 CO 0.42 -1.13 1.64 1.07 -0.17 0.00 0.00 175.17 177.00 1np6 n THR 99 N 5.53 0.74 0.30 1.71 5.66 -1.26 -2.11 114.28 124.86 1np6 n THR 99 Ca 0.15 0.15 0.19 0.00 -3.05 0.00 0.00 64.05 61.48 1np6 n THR 99 Cb 0.48 -0.91 0.95 0.00 -1.55 0.00 0.00 70.33 69.29 1np6 n THR 99 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1np6 h SER 100 N 0.00 0.00 -0.49 1.09 4.64 -2.02 -2.59 113.55 114.18 1np6 h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1np6 h SER 100 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1np6 h SER 100 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1np6 n LYS 101 N -3.27 2.56 -4.19 4.77 5.02 -0.90 -5.01 118.16 117.14 1np6 n LYS 101 Ca -0.02 -2.32 -0.16 0.00 -2.02 0.00 0.00 58.31 53.79 1np6 n LYS 101 Cb 0.17 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1np6 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1np6 s LEU 102 N -1.15 2.17 -0.09 -0.35 1.43 -0.98 -4.87 118.68 114.86 1np6 s LEU 102 Ca 0.38 -0.42 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 1np6 s LEU 102 Cb 0.21 -0.36 -0.31 0.00 0.03 0.00 0.00 46.19 45.75 1np6 s LEU 102 CO 0.28 -0.05 0.35 0.47 0.23 0.00 0.00 176.35 177.62 1np6 n ASP 103 N 1.93 0.00 -3.60 2.29 8.00 -0.31 -4.92 116.55 119.95 1np6 n ASP 103 Ca -0.19 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 1np6 n ASP 103 Cb 0.55 1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 43.25 1np6 n ASP 103 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1np6 s LEU 104 N -4.84 -0.31 -0.15 0.64 2.96 -1.22 -4.28 118.68 111.47 1np6 s LEU 104 Ca -0.09 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 1np6 s LEU 104 Cb 0.11 2.21 0.02 0.00 0.50 0.00 0.00 46.19 49.04 1np6 s LEU 104 CO 0.88 -0.48 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.67 1np6 s ILE 105 N -0.85 1.52 0.21 6.68 1.01 -0.79 -0.34 121.20 128.66 1np6 s ILE 105 Ca -0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1np6 s ILE 105 Cb -0.02 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 1np6 s ILE 105 CO 0.07 0.42 0.50 -0.76 0.00 0.00 0.00 174.94 175.16 1np6 s LEU 106 N 1.50 4.18 0.01 2.97 1.43 -0.30 -1.64 118.68 126.82 1np6 s LEU 106 Ca 0.04 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1np6 s LEU 106 Cb -0.13 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1np6 s LEU 106 CO -0.10 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.67 1np6 s VAL 107 N -1.82 0.48 -0.07 -1.59 1.01 0.08 -1.44 120.40 117.04 1np6 s VAL 107 Ca 0.45 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1np6 s VAL 107 Cb -0.11 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1np6 s VAL 107 CO 0.24 0.01 0.39 -1.83 0.00 0.00 0.00 175.10 173.90 1np6 s GLU 108 N -0.49 0.64 0.00 2.72 -1.05 -0.59 -1.02 118.70 118.92 1np6 s GLU 108 Ca -0.01 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 1np6 s GLU 108 Cb -0.04 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1np6 s GLU 108 CO -0.00 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.47 1np6 n GLY 109 N 1.84 0.73 3.93 -3.83 0.00 -1.26 -1.56 105.19 105.03 1np6 n GLY 109 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1np6 n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np6 s PHE 110 N -2.29 3.49 -0.16 1.61 0.40 -1.26 -4.61 117.98 115.15 1np6 s PHE 110 Ca 0.00 0.25 -0.18 0.00 -0.60 0.00 0.00 56.93 56.41 1np6 s PHE 110 Cb 0.00 -1.77 -0.15 0.00 0.51 0.00 0.00 43.02 41.61 1np6 s PHE 110 CO 0.00 0.48 0.22 0.87 0.70 0.00 0.00 175.22 177.49 1np6 h LYS 111 N 2.36 0.00 -2.20 0.44 1.57 -1.97 -3.38 116.57 113.39 1np6 h LYS 111 Ca -0.47 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.67 1np6 h LYS 111 Cb 1.18 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1np6 h LYS 111 CO 0.70 0.64 1.12 1.58 -0.57 0.00 0.00 179.45 182.93 1np6 n HIS 112 N -4.56 2.19 -2.24 -1.35 -0.00 -1.26 -4.92 115.22 103.07 1np6 n HIS 112 Ca -0.17 -2.30 -0.33 0.00 0.46 0.00 0.00 57.72 55.37 1np6 n HIS 112 Cb 0.46 -1.46 -0.04 0.00 -0.12 0.00 0.00 29.99 28.82 1np6 n HIS 112 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1np6 s GLU 113 N -2.16 2.93 -0.34 1.57 2.02 -1.26 -4.84 118.70 116.62 1np6 s GLU 113 Ca 0.55 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1np6 s GLU 113 Cb 0.32 -5.03 0.31 0.00 0.10 0.00 0.00 34.13 29.82 1np6 s GLU 113 CO -0.21 -2.86 1.83 0.39 0.02 0.00 0.00 175.26 174.43 1np6 n GLU 114 N 8.93 1.87 -4.54 1.61 -0.58 -1.26 -4.88 120.64 121.79 1np6 n GLU 114 Ca 0.34 -1.83 -0.29 0.00 -0.42 0.00 0.00 57.16 54.96 1np6 n GLU 114 Cb 0.49 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 1np6 n GLU 114 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1np6 s ILE 115 N -2.44 1.81 0.38 -3.67 -4.36 -1.26 -5.09 121.20 106.57 1np6 s ILE 115 Ca 0.36 -1.93 -0.25 0.00 -0.26 0.00 0.00 60.65 58.57 1np6 s ILE 115 Cb 0.29 -2.74 -0.12 0.00 1.25 0.00 0.00 42.46 41.14 1np6 s ILE 115 CO 0.02 0.00 1.00 0.00 0.24 0.00 0.00 174.94 176.20 1np6 n ALA 116 N -1.13 0.04 -3.43 2.27 0.00 -1.26 -4.79 120.51 112.20 1np6 n ALA 116 Ca -0.08 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1np6 n ALA 116 Cb 0.66 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 1np6 n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1np6 s LYS 117 N -1.85 0.33 -0.15 0.00 2.20 -1.00 -0.66 119.74 118.61 1np6 s LYS 117 Ca 0.61 0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 56.71 1np6 s LYS 117 Cb -0.60 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 35.75 1np6 s LYS 117 CO 0.58 -0.10 0.01 0.42 -0.36 0.00 0.00 175.35 175.91 1np6 s ILE 118 N 0.69 4.35 -0.13 5.43 1.01 -0.66 -0.42 121.20 131.47 1np6 s ILE 118 Ca -0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1np6 s ILE 118 Cb -0.05 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1np6 s ILE 118 CO -0.04 0.51 0.13 -0.69 0.00 0.00 0.00 174.94 174.85 1np6 s VAL 119 N 0.04 5.43 -0.13 2.92 1.01 -0.68 -1.84 120.40 127.15 1np6 s VAL 119 Ca 0.03 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1np6 s VAL 119 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1np6 s VAL 119 CO 0.02 0.58 0.12 -0.76 0.00 0.00 0.00 175.10 175.06 1np6 s LEU 120 N -0.73 4.24 -0.02 3.92 1.43 -0.19 -1.05 118.68 126.27 1np6 s LEU 120 Ca 0.13 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1np6 s LEU 120 Cb -0.12 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1np6 s LEU 120 CO 0.03 0.37 -0.02 0.12 0.23 0.00 0.00 176.35 177.08 1np6 s PHE 121 N -0.82 0.35 -0.07 0.29 5.36 0.06 -4.64 117.98 118.51 1np6 s PHE 121 Ca 0.14 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1np6 s PHE 121 Cb -0.12 -0.34 0.02 0.00 -0.34 0.00 0.00 43.02 42.24 1np6 s PHE 121 CO 0.03 -0.08 -0.05 1.03 -1.46 0.00 0.00 175.22 174.69 1np6 s ARG 122 N 0.52 1.07 0.31 10.12 0.52 -1.26 -2.66 118.95 127.58 1np6 s ARG 122 Ca -0.05 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1np6 s ARG 122 Cb -0.08 -1.14 0.51 0.00 0.52 0.00 0.00 34.95 34.75 1np6 s ARG 122 CO -0.01 -0.17 1.94 0.22 0.02 0.00 0.00 175.30 177.30 1np6 h ASP 123 N 7.71 0.79 -0.32 0.23 3.58 -1.91 -1.81 116.42 124.69 1np6 h ASP 123 Ca -0.30 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1np6 h ASP 123 Cb 1.14 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1np6 h ASP 123 CO 0.40 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 178.01 1np6 n GLY 124 N -1.23 0.56 0.50 -0.78 0.00 -1.26 -4.41 105.19 98.57 1np6 n GLY 124 Ca 0.06 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1np6 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1np6 n ALA 125 N 0.48 2.59 -0.28 4.61 0.00 -0.68 -4.86 120.51 122.37 1np6 n ALA 125 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1np6 n ALA 125 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1np6 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1np6 n GLY 126 N 0.59 0.84 3.08 0.00 0.00 -1.26 -4.84 105.19 103.60 1np6 n GLY 126 Ca 0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1np6 n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1np6 s HIS 127 N -2.00 -0.28 0.43 1.61 3.76 -1.26 -5.16 115.29 112.39 1np6 s HIS 127 Ca 0.00 0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 55.39 1np6 s HIS 127 Cb 0.00 0.07 -0.11 0.00 1.11 0.00 0.00 32.58 33.65 1np6 s HIS 127 CO 0.00 -0.17 0.95 1.03 -0.85 0.00 0.00 174.74 175.70 1np6 s ARG 128 N 0.64 4.21 0.40 1.40 0.52 -1.26 -4.86 118.95 120.00 1np6 s ARG 128 Ca -0.04 1.12 0.19 0.00 -0.52 0.00 0.00 55.73 56.48 1np6 s ARG 128 Cb -0.06 -2.18 1.12 0.00 0.52 0.00 0.00 34.95 34.36 1np6 s ARG 128 CO -0.04 -0.05 1.77 -1.00 0.02 0.00 0.00 175.30 176.00 1np6 h PRO 129 N 1.88 0.37 0.00 3.54 0.13 -1.98 -1.98 132.00 133.96 1np6 h PRO 129 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1np6 h PRO 129 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1np6 h PRO 129 CO 0.61 0.24 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 1np6 h GLU 130 N 0.38 0.00 0.00 0.86 3.07 -2.03 -2.04 114.58 114.81 1np6 h GLU 130 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1np6 h GLU 130 Cb 1.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1np6 h GLU 130 CO -0.30 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.24 1np6 h GLU 131 N 0.00 0.00 -6.71 2.33 5.08 -1.75 -3.46 114.58 110.07 1np6 h GLU 131 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1np6 h GLU 131 Cb 0.30 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.64 1np6 h GLU 131 CO 0.00 0.00 0.70 1.28 -1.00 0.00 0.00 179.01 179.99 1np6 n LEU 132 N -2.48 3.73 -4.33 1.33 4.77 -0.77 -4.99 117.00 114.26 1np6 n LEU 132 Ca 0.04 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.81 1np6 n LEU 132 Cb 0.37 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 39.83 1np6 n LEU 132 CO 0.27 -0.22 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.13 1np6 s VAL 133 N -0.29 3.87 -0.47 4.08 1.01 -1.26 -5.06 120.40 122.28 1np6 s VAL 133 Ca 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1np6 s VAL 133 Cb -0.57 -2.99 0.13 0.00 0.00 0.00 0.00 36.38 32.94 1np6 s VAL 133 CO 0.52 0.09 0.27 -0.63 0.00 0.00 0.00 175.10 175.36 1np6 s ILE 134 N 1.48 3.39 0.81 2.22 -1.09 -1.26 -5.10 121.20 121.65 1np6 s ILE 134 Ca 0.02 -2.34 -0.14 0.00 -2.23 0.00 0.00 60.65 55.96 1np6 s ILE 134 Cb -0.17 -3.29 0.19 0.00 -1.58 0.00 0.00 42.46 37.60 1np6 s ILE 134 CO 0.02 -0.75 1.08 -0.90 -1.23 0.00 0.00 174.94 173.16 1np6 n ASP 135 N 4.24 0.02 0.02 3.58 5.68 -1.26 -4.97 116.55 123.87 1np6 n ASP 135 Ca 0.01 -1.38 0.10 0.00 -0.50 0.00 0.00 54.79 53.02 1np6 n ASP 135 Cb 0.40 -0.83 0.44 0.00 -1.14 0.00 0.00 41.12 39.99 1np6 n ASP 135 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1np6 n ARG 136 N -3.33 0.05 0.04 0.11 1.85 -1.26 -2.91 116.66 111.20 1np6 n ARG 136 Ca 0.14 0.19 0.12 0.00 -1.00 0.00 0.00 57.85 57.29 1np6 n ARG 136 Cb 0.47 -1.57 0.16 0.00 -1.05 0.00 0.00 32.46 30.47 1np6 n ARG 136 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1np6 n HIS 137 N -1.65 0.37 -2.07 2.89 8.25 -1.26 -4.94 115.22 116.81 1np6 n HIS 137 Ca 0.05 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 1np6 n HIS 137 Cb 0.26 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1np6 n HIS 137 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1np6 s VAL 138 N -3.14 3.27 -0.54 1.59 1.01 -1.14 -2.38 120.40 119.06 1np6 s VAL 138 Ca 0.07 0.77 0.18 0.00 0.00 0.00 0.00 61.98 62.99 1np6 s VAL 138 Cb 0.14 -3.50 -0.22 0.00 0.00 0.00 0.00 36.38 32.81 1np6 s VAL 138 CO 0.73 0.02 0.62 2.30 0.00 0.00 0.00 175.10 178.77 1np6 n ILE 139 N 4.47 0.00 -3.58 2.22 -5.35 0.43 -4.90 119.36 112.65 1np6 n ILE 139 Ca 0.14 -0.20 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 1np6 n ILE 139 Cb 0.42 0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 38.95 1np6 n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1np6 s ALA 140 N -2.86 -1.96 -0.24 -1.28 0.00 -1.25 -3.60 121.76 110.57 1np6 s ALA 140 Ca 0.02 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1np6 s ALA 140 Cb 0.13 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1np6 s ALA 140 CO 0.73 -0.33 -0.11 0.08 0.00 0.00 0.00 175.76 176.13 1np6 s VAL 141 N -1.26 2.42 -0.26 0.00 1.01 -0.24 -1.69 120.40 120.38 1np6 s VAL 141 Ca 0.01 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 1np6 s VAL 141 Cb -0.01 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1np6 s VAL 141 CO -0.01 0.17 0.83 0.00 0.00 0.00 0.00 175.10 176.09 1np6 s ALA 142 N 1.22 3.62 0.07 5.51 0.00 -0.22 -1.04 121.76 130.93 1np6 s ALA 142 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1np6 s ALA 142 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1np6 s ALA 142 CO -0.06 -1.02 -0.05 0.45 0.00 0.00 0.00 175.76 175.08 1np6 s SER 143 N 1.42 0.80 0.00 0.00 0.15 0.98 -0.76 113.70 116.29 1np6 s SER 143 Ca 0.35 -0.96 0.22 0.00 0.70 0.00 0.00 55.95 56.25 1np6 s SER 143 Cb -0.15 0.14 0.27 0.00 -1.71 0.00 0.00 66.02 64.58 1np6 s SER 143 CO 0.09 -0.51 1.27 -0.90 1.20 0.00 0.00 173.24 174.39 1np6 n ASP 144 N 0.16 3.06 -4.14 5.45 5.75 -1.09 -1.51 116.55 124.24 1np6 n ASP 144 Ca -0.14 -1.93 -0.12 0.00 -0.01 0.00 0.00 54.79 52.59 1np6 n ASP 144 Cb 0.60 -0.11 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 1np6 n ASP 144 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1np6 s VAL 145 N -1.63 0.68 0.40 2.12 -7.23 -1.26 -4.92 120.40 108.55 1np6 s VAL 145 Ca 0.30 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 1np6 s VAL 145 Cb 0.20 -1.31 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1np6 s VAL 145 CO 0.28 -0.68 1.37 -2.84 -0.31 0.00 0.00 175.10 172.92 1np6 s PRO 146 N -3.00 4.00 0.13 4.82 0.02 -1.26 -5.04 135.00 134.67 1np6 s PRO 146 Ca 0.04 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.40 1np6 s PRO 146 Cb -0.01 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 1np6 s PRO 146 CO -0.03 -0.52 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.52 1np6 s LEU 147 N -2.32 2.52 -0.62 -5.54 1.43 -1.26 -5.12 118.68 107.76 1np6 s LEU 147 Ca 0.56 -1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1np6 s LEU 147 Cb -0.41 -0.27 0.13 0.00 0.03 0.00 0.00 46.19 45.67 1np6 s LEU 147 CO 0.54 -0.37 0.68 0.21 0.23 0.00 0.00 176.35 177.64 1np6 s ASN 148 N -3.11 6.28 0.09 2.29 2.47 -1.26 -5.04 114.94 116.66 1np6 s ASN 148 Ca 0.15 -1.71 0.01 0.00 0.42 0.00 0.00 52.86 51.74 1np6 s ASN 148 Cb 0.03 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1np6 s ASN 148 CO -0.01 -0.99 -0.06 -0.76 -3.72 0.00 0.00 177.10 171.56 1np6 s LEU 149 N 2.12 2.50 0.00 3.21 1.43 -1.26 -5.05 118.68 121.64 1np6 s LEU 149 Ca 0.11 -0.99 0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1np6 s LEU 149 Cb -0.23 -0.02 0.54 0.00 0.03 0.00 0.00 46.19 46.51 1np6 s LEU 149 CO 0.03 -0.49 1.47 0.47 0.23 0.00 0.00 176.35 178.06 1np6 n ASP 150 N 0.02 3.73 -4.48 2.29 8.00 -1.26 -4.96 116.55 119.89 1np6 n ASP 150 Ca -0.13 -2.00 -0.25 0.00 0.71 0.00 0.00 54.79 53.13 1np6 n ASP 150 Cb 0.61 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 1np6 n ASP 150 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1np6 s VAL 151 N -1.24 1.32 0.40 2.53 -7.23 -1.26 -5.13 120.40 109.80 1np6 s VAL 151 Ca 0.44 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 1np6 s VAL 151 Cb 0.24 -2.73 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1np6 s VAL 151 CO 0.33 0.00 1.39 0.00 -0.31 0.00 0.00 175.10 176.50 1np6 n ALA 152 N -0.84 1.83 -3.54 1.32 0.00 -1.24 -4.84 120.51 113.20 1np6 n ALA 152 Ca -0.05 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1np6 n ALA 152 Cb 0.67 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.62 1np6 n ALA 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1np6 s LEU 153 N -1.96 2.59 0.09 0.00 2.96 -1.26 -1.07 118.68 120.03 1np6 s LEU 153 Ca 0.58 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 1np6 s LEU 153 Cb -0.49 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1np6 s LEU 153 CO 0.60 0.04 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.69 1np6 s LEU 154 N 1.06 2.45 -0.48 -0.68 1.43 -0.20 -4.97 118.68 117.29 1np6 s LEU 154 Ca -0.00 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 1np6 s LEU 154 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1np6 s LEU 154 CO -0.03 0.21 1.44 -0.62 0.23 0.00 0.00 176.35 177.58 1np6 s ASP 155 N -1.81 6.19 0.56 2.29 2.15 -1.26 -0.01 116.67 124.79 1np6 s ASP 155 Ca 0.15 0.59 0.33 0.00 0.43 0.00 0.00 52.55 54.06 1np6 s ASP 155 Cb -0.10 -2.54 1.64 0.00 -0.30 0.00 0.00 42.92 41.61 1np6 s ASP 155 CO 0.06 -1.59 2.11 -0.29 -0.17 0.00 0.00 175.17 175.28 1np6 h ILE 156 N 6.46 0.25 -0.29 4.11 2.10 -1.53 -2.15 117.51 126.47 1np6 h ILE 156 Ca -0.27 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.24 1np6 h ILE 156 Cb 1.10 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.17 1np6 h ILE 156 CO 1.13 0.06 0.00 0.59 -1.08 0.00 0.00 178.15 178.85 1np6 n ASN 157 N -3.32 1.70 -3.96 2.19 3.02 -1.26 -4.57 115.26 109.05 1np6 n ASN 157 Ca -0.01 -1.92 -0.31 0.00 -0.03 0.00 0.00 54.58 52.31 1np6 n ASN 157 Cb 0.23 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 1np6 n ASN 157 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1np6 s ASP 158 N -1.14 4.69 0.20 6.41 2.15 -0.81 -4.97 116.67 123.21 1np6 s ASP 158 Ca 0.24 -3.30 -0.08 0.00 0.43 0.00 0.00 52.55 49.85 1np6 s ASP 158 Cb 0.13 -1.68 0.14 0.00 -0.30 0.00 0.00 42.92 41.20 1np6 s ASP 158 CO 0.18 -0.20 1.71 0.58 -0.17 0.00 0.00 175.17 177.26 1np6 h VAL 159 N 5.04 1.26 -0.26 1.11 2.07 -1.82 -1.81 116.25 121.84 1np6 h VAL 159 Ca 0.01 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1np6 h VAL 159 Cb 0.85 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1np6 h VAL 159 CO 0.71 0.38 0.15 -0.33 0.02 0.00 0.00 177.57 178.51 1np6 h GLU 160 N 1.03 0.30 -0.31 1.57 4.39 -1.96 -0.01 114.58 119.59 1np6 h GLU 160 Ca 0.21 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1np6 h GLU 160 Cb 0.42 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1np6 h GLU 160 CO 0.01 0.20 0.09 0.78 -1.16 0.00 0.00 179.01 178.93 1np6 h GLY 161 N 0.31 0.47 0.95 -3.84 0.00 -1.92 -1.68 103.07 97.36 1np6 h GLY 161 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1np6 h GLY 161 CO -0.05 0.22 -0.02 -2.00 0.00 0.00 0.00 176.54 174.70 1np6 h LEU 162 N 0.44 0.69 -1.09 3.11 5.85 -0.64 -2.11 115.31 121.55 1np6 h LEU 162 Ca 0.11 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1np6 h LEU 162 Cb 0.16 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1np6 h LEU 162 CO -0.01 0.84 0.61 0.00 -0.34 0.00 0.00 178.44 179.55 1np6 h ALA 163 N 0.87 1.47 0.13 1.25 0.00 -0.47 -1.15 119.26 121.37 1np6 h ALA 163 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1np6 h ALA 163 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1np6 h ALA 163 CO 0.02 0.40 -0.14 -0.44 0.00 0.00 0.00 179.25 179.09 1np6 h ASP 164 N 1.09 -0.37 -0.87 0.00 3.32 -1.13 -1.46 116.42 117.01 1np6 h ASP 164 Ca 0.40 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.51 1np6 h ASP 164 Cb 0.18 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1np6 h ASP 164 CO -0.15 -0.21 0.57 0.15 -1.72 0.00 0.00 179.24 177.88 1np6 h PHE 165 N -0.30 1.07 -0.08 4.55 3.57 -0.95 -2.24 116.94 122.56 1np6 h PHE 165 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1np6 h PHE 165 Cb 0.29 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1np6 h PHE 165 CO -0.13 0.65 -0.00 0.28 -2.23 0.00 0.00 178.31 176.87 1np6 h VAL 166 N 1.13 1.25 -0.43 1.41 2.07 -0.95 -2.09 116.25 118.65 1np6 h VAL 166 Ca 0.33 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1np6 h VAL 166 Cb -0.06 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1np6 h VAL 166 CO -0.09 0.22 0.18 0.58 0.02 0.00 0.00 177.57 178.49 1np6 h VAL 167 N -0.14 0.92 -0.59 2.57 2.07 -1.13 -1.07 116.25 118.87 1np6 h VAL 167 Ca 0.02 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1np6 h VAL 167 Cb 0.35 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1np6 h VAL 167 CO 0.00 0.07 0.15 -0.33 0.02 0.00 0.00 177.57 177.48 1np6 h GLU 168 N 0.37 0.91 -0.31 1.57 3.07 -1.42 -0.21 114.58 118.57 1np6 h GLU 168 Ca 0.19 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1np6 h GLU 168 Cb 0.15 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1np6 h GLU 168 CO -0.17 0.81 -0.09 2.35 -1.40 0.00 0.00 179.01 180.51 1np6 h TRP 169 N 0.88 0.55 0.09 4.33 7.01 -0.96 -3.03 115.95 124.82 1np6 h TRP 169 Ca 0.19 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1np6 h TRP 169 Cb 0.30 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1np6 h TRP 169 CO 0.02 0.60 -0.04 0.52 -2.79 0.00 0.00 178.44 176.75 1np6 h MET 170 N 0.48 -0.12 -0.21 2.65 2.86 -0.22 -3.04 114.93 117.33 1np6 h MET 170 Ca 0.09 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1np6 h MET 170 Cb 0.45 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1np6 h MET 170 CO 0.02 0.09 0.00 1.04 1.06 0.00 0.00 176.91 179.13 1np6 n GLN 171 N -5.05 0.40 0.00 1.72 6.02 -0.18 -0.75 117.38 119.53 1np6 n GLN 171 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1np6 n GLN 171 Cb 0.15 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1np6 n GLN 171 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1np6 n LYS 172 N -0.07 3.43 -0.15 -1.09 4.81 -1.16 -4.71 118.16 119.22 1np6 n LYS 172 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1np6 n LYS 172 Cb 0.05 -0.61 0.27 0.00 0.02 0.00 0.00 35.03 34.77 1np6 n LYS 172 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1np6 n GLN 173 N -0.90 1.90 -0.18 1.64 1.13 0.07 -4.68 117.38 116.35 1np6 n GLN 173 Ca 0.00 -1.38 -0.02 0.00 -1.94 0.00 0.00 57.00 53.66 1np6 n GLN 173 Cb 0.00 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1np6 n GLN 173 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1np6 n ASN 174 N 0.60 -0.36 -0.62 1.08 3.02 -1.25 -4.93 115.26 112.81 1np6 n ASN 174 Ca 0.15 0.82 0.13 0.00 -0.03 0.00 0.00 54.58 55.66 1np6 n ASN 174 Cb 0.36 -0.17 0.40 0.00 -0.61 0.00 0.00 39.78 39.77 1np6 n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25