#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nr4 n GLY 9 N 0.00 1.12 3.23 0.72 0.00 -1.26 -4.64 105.19 104.36 3nr4 n GLY 9 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3nr4 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nr4 s LEU 10 N 0.00 2.15 0.91 0.99 1.43 -1.26 -4.94 118.68 117.96 3nr4 s LEU 10 Ca 0.00 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3nr4 s LEU 10 Cb 0.00 -0.94 0.14 0.00 0.03 0.00 0.00 46.19 45.42 3nr4 s LEU 10 CO 0.00 0.16 1.10 0.42 0.23 0.00 0.00 176.35 178.26 3nr4 s THR 11 N -0.75 2.54 0.32 5.49 -4.23 -1.26 -4.81 115.64 112.93 3nr4 s THR 11 Ca 0.07 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 3nr4 s THR 11 Cb -0.08 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.57 3nr4 s THR 11 CO 0.01 -0.23 1.97 0.44 -0.54 0.00 0.00 174.62 176.27 3nr4 h ASP 12 N -1.71 0.85 -0.05 3.99 3.32 -2.00 -1.69 116.42 119.13 3nr4 h ASP 12 Ca -0.48 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.34 3nr4 h ASP 12 Cb 1.27 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.63 3nr4 h ASP 12 CO 0.49 0.60 -0.79 -0.33 -1.72 0.00 0.00 179.24 177.49 3nr4 h GLU 13 N 0.99 0.71 -0.49 3.56 4.39 -1.99 -1.91 114.58 119.83 3nr4 h GLU 13 Ca 0.30 -0.59 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 3nr4 h GLU 13 Cb -0.02 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3nr4 h GLU 13 CO -0.08 1.20 0.17 0.93 -1.16 0.00 0.00 179.01 180.07 3nr4 h GLU 14 N 0.48 0.75 -0.73 2.33 5.08 -1.88 -1.75 114.58 118.86 3nr4 h GLU 14 Ca -0.05 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3nr4 h GLU 14 Cb 1.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 3nr4 h GLU 14 CO 0.16 0.69 0.38 1.96 -1.00 0.00 0.00 179.01 181.21 3nr4 h GLN 15 N 0.66 1.02 -0.04 2.33 4.20 -1.21 0.30 115.11 122.36 3nr4 h GLN 15 Ca 0.16 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3nr4 h GLN 15 Cb 0.24 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3nr4 h GLN 15 CO -0.01 0.76 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.67 3nr4 h LYS 16 N 1.02 0.09 -0.75 1.46 3.64 -1.16 -1.37 116.57 119.51 3nr4 h LYS 16 Ca 0.26 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.75 3nr4 h LYS 16 Cb 0.05 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3nr4 h LYS 16 CO -0.04 0.46 0.50 1.15 -2.27 0.00 0.00 179.45 179.25 3nr4 h THR 17 N -0.28 0.80 -0.01 1.00 2.02 -1.09 -3.04 112.91 112.32 3nr4 h THR 17 Ca 0.01 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3nr4 h THR 17 Cb 0.43 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3nr4 h THR 17 CO 0.01 0.08 -0.54 0.18 0.37 0.00 0.00 175.52 175.61 3nr4 n LEU 18 N -4.48 1.20 -0.15 2.58 4.32 0.07 -4.39 117.00 116.16 3nr4 n LEU 18 Ca 0.14 -0.41 -0.08 0.00 -0.02 0.00 0.00 56.01 55.65 3nr4 n LEU 18 Cb 0.53 -0.08 0.01 0.00 -1.62 0.00 0.00 43.42 42.25 3nr4 n LEU 18 CO 0.33 0.25 1.04 -0.08 -1.22 0.00 0.00 177.39 177.71 3nr4 h GLU 19 N 1.04 0.62 -0.62 3.23 4.81 -1.13 0.11 114.58 122.64 3nr4 h GLU 19 Ca 0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3nr4 h GLU 19 Cb 0.58 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3nr4 h GLU 19 CO 0.00 0.44 0.41 -1.00 -0.73 0.00 0.00 179.01 178.13 3nr4 h PRO 20 N 0.61 0.75 -0.36 0.92 0.13 -1.79 0.21 132.00 132.49 3nr4 h PRO 20 Ca 0.17 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 3nr4 h PRO 20 Cb -0.03 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 30.92 3nr4 h PRO 20 CO -0.03 0.50 -0.11 0.28 -0.23 0.00 0.00 178.00 178.41 3nr4 h VAL 21 N 0.78 1.28 -0.41 1.56 2.07 -1.51 -1.96 116.25 118.06 3nr4 h VAL 21 Ca 0.24 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3nr4 h VAL 21 Cb 0.01 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3nr4 h VAL 21 CO -0.06 0.39 0.11 0.40 0.02 0.00 0.00 177.57 178.42 3nr4 h ILE 22 N 0.49 1.23 -0.43 4.57 2.04 -0.38 -1.69 117.51 123.34 3nr4 h ILE 22 Ca 0.09 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3nr4 h ILE 22 Cb 0.62 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3nr4 h ILE 22 CO 0.04 0.27 0.19 0.11 0.00 0.00 0.00 178.15 178.76 3nr4 h LYS 23 N 0.52 0.61 0.22 2.37 1.79 -0.94 -1.54 116.57 119.59 3nr4 h LYS 23 Ca 0.13 -0.07 -0.33 0.00 -2.18 0.00 0.00 60.65 58.19 3nr4 h LYS 23 Cb 0.30 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 30.86 3nr4 h LYS 23 CO 0.00 0.49 -1.56 1.15 -1.08 0.00 0.00 179.45 178.45 3nr4 h THR 24 N 0.61 1.13 0.00 -0.16 2.02 -1.17 -3.43 112.91 111.91 3nr4 h THR 24 Ca 0.15 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.73 3nr4 h THR 24 Cb 0.10 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3nr4 h THR 24 CO -0.02 0.82 -0.85 -1.22 0.37 0.00 0.00 175.52 174.62 3nr4 n TYR 25 N -3.70 0.00 -1.84 3.16 4.01 -0.65 -4.80 117.16 113.34 3nr4 n TYR 25 Ca -0.21 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.30 3nr4 n TYR 25 Cb 1.07 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.15 3nr4 n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3nr4 n HIS 26 N -1.38 2.58 -3.20 -0.72 8.25 -0.58 -4.88 115.22 115.30 3nr4 n HIS 26 Ca 0.00 -2.29 -0.34 0.00 -0.26 0.00 0.00 57.72 54.83 3nr4 n HIS 26 Cb 0.00 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.51 3nr4 n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3nr4 s GLN 27 N -3.60 4.05 0.12 -0.41 -1.52 -1.24 -4.89 119.66 112.17 3nr4 s GLN 27 Ca 0.52 0.65 0.10 0.00 -1.95 0.00 0.00 55.36 54.69 3nr4 s GLN 27 Cb 0.43 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 30.49 3nr4 s GLN 27 CO 0.02 0.31 -0.24 -0.59 -0.25 0.00 0.00 175.29 174.54 3nr4 s PHE 28 N -1.73 2.38 -0.43 0.91 -0.71 -1.26 -5.10 117.98 112.05 3nr4 s PHE 28 Ca 0.47 -0.35 -0.18 0.00 -1.04 0.00 0.00 56.93 55.84 3nr4 s PHE 28 Cb -0.13 -1.29 0.02 0.00 -1.21 0.00 0.00 43.02 40.41 3nr4 s PHE 28 CO 0.19 0.34 0.46 -1.83 -1.34 0.00 0.00 175.22 173.04 3nr4 s GLU 29 N -2.03 3.10 0.18 1.99 1.03 -1.26 -5.03 118.70 116.68 3nr4 s GLU 29 Ca 0.15 -0.75 -0.33 0.00 0.03 0.00 0.00 54.97 54.07 3nr4 s GLU 29 Cb -0.10 -3.98 -0.15 0.00 -0.80 0.00 0.00 34.13 29.10 3nr4 s GLU 29 CO 0.07 -0.88 1.22 -2.30 -1.33 0.00 0.00 175.26 172.04 3nr4 n PRO 30 N 5.66 1.35 -3.63 -4.83 -0.02 -1.26 -4.97 135.00 127.29 3nr4 n PRO 30 Ca -0.07 0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 61.85 3nr4 n PRO 30 Cb 0.47 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 3nr4 n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3nr4 s ASP 31 N 0.08 -0.99 0.53 2.55 -1.08 -1.26 -5.03 116.67 111.46 3nr4 s ASP 31 Ca 0.73 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 54.42 3nr4 s ASP 31 Cb -0.81 1.79 1.33 0.00 -1.46 0.00 0.00 42.92 43.76 3nr4 s ASP 31 CO 0.51 -0.22 2.09 -0.65 0.52 0.00 0.00 175.17 177.43 3nr4 h PRO 32 N 7.40 0.00 -0.01 4.34 0.11 -2.04 -2.62 132.00 139.17 3nr4 h PRO 32 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3nr4 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nr4 h PRO 32 CO 0.13 0.00 -0.36 0.25 -0.21 0.00 0.00 178.00 177.82 3nr4 n THR 33 N -4.46 0.00 -4.21 -1.15 -2.24 -1.26 -4.89 114.28 96.07 3nr4 n THR 33 Ca 0.02 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 3nr4 n THR 33 Cb 0.28 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 3nr4 n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3nr4 s THR 34 N -2.58 3.24 0.04 4.28 -4.23 -0.99 -0.77 115.64 114.63 3nr4 s THR 34 Ca 0.21 -1.80 0.08 0.00 -1.18 0.00 0.00 61.69 58.99 3nr4 s THR 34 Cb 0.19 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 3nr4 s THR 34 CO 0.57 -0.27 -0.21 0.00 -0.54 0.00 0.00 174.62 174.16 3nr4 s THR 36 N -0.79 0.84 -0.11 0.00 -4.23 -1.26 -2.01 115.64 108.07 3nr4 s THR 36 Ca 0.08 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 3nr4 s THR 36 Cb -0.09 -1.08 0.10 0.00 1.34 0.00 0.00 72.50 72.78 3nr4 s THR 36 CO 0.02 -0.45 0.87 -0.55 -0.54 0.00 0.00 174.62 173.97 3nr4 s SER 37 N -2.05 -0.48 -0.18 3.99 0.15 -0.98 -5.00 113.70 109.15 3nr4 s SER 37 Ca -0.01 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.15 3nr4 s SER 37 Cb -0.06 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 3nr4 s SER 37 CO 0.00 -0.46 -0.19 -0.22 1.20 0.00 0.00 173.24 173.57 3nr4 s LEU 38 N -1.22 2.20 -0.07 3.45 2.96 -1.26 -1.60 118.68 123.13 3nr4 s LEU 38 Ca -0.05 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3nr4 s LEU 38 Cb -0.00 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3nr4 s LEU 38 CO 0.04 0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.38 3nr4 s ILE 39 N 1.22 3.65 0.18 6.68 -1.09 0.07 -4.87 121.20 127.03 3nr4 s ILE 39 Ca 0.03 -0.50 0.10 0.00 -2.23 0.00 0.00 60.65 58.05 3nr4 s ILE 39 Cb -0.14 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 3nr4 s ILE 39 CO -0.10 0.60 -0.22 0.42 -1.23 0.00 0.00 174.94 174.40 3nr4 s THR 40 N -0.77 2.13 -0.22 2.92 -4.23 -1.26 -0.49 115.64 113.72 3nr4 s THR 40 Ca 0.12 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.60 3nr4 s THR 40 Cb -0.11 -1.99 0.10 0.00 1.34 0.00 0.00 72.50 71.84 3nr4 s THR 40 CO 0.01 -0.17 0.48 -1.58 -0.54 0.00 0.00 174.62 172.82 3nr4 s GLN 41 N -2.65 0.39 -0.07 3.99 2.00 -0.06 -5.00 119.66 118.26 3nr4 s GLN 41 Ca 0.18 1.14 -0.21 0.00 -2.00 0.00 0.00 55.36 54.47 3nr4 s GLN 41 Cb -0.07 0.47 -0.04 0.00 0.80 0.00 0.00 33.01 34.17 3nr4 s GLN 41 CO 0.08 -0.24 0.60 0.50 -0.50 0.00 0.00 175.29 175.74 3nr4 s ARG 42 N 2.68 4.38 -0.09 1.67 3.52 -1.26 -0.72 118.95 129.14 3nr4 s ARG 42 Ca -0.03 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 3nr4 s ARG 42 Cb -0.12 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3nr4 s ARG 42 CO -0.14 0.15 -0.12 0.42 -0.81 0.00 0.00 175.30 174.79 3nr4 s ILE 43 N 0.58 1.22 -1.39 4.11 1.01 0.58 -4.99 121.20 122.31 3nr4 s ILE 43 Ca 0.32 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3nr4 s ILE 43 Cb -0.17 -1.14 0.09 0.00 0.01 0.00 0.00 42.46 41.25 3nr4 s ILE 43 CO 0.15 0.38 2.13 1.41 0.00 0.00 0.00 174.94 179.01 3nr4 n HIS 44 N 4.18 3.21 -3.62 3.97 8.25 -1.26 -0.50 115.22 129.46 3nr4 n HIS 44 Ca -0.19 -2.90 -0.14 0.00 -0.26 0.00 0.00 57.72 54.22 3nr4 n HIS 44 Cb 0.51 -2.29 -0.06 0.00 1.12 0.00 0.00 29.99 29.27 3nr4 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nr4 s ALA 45 N 1.90 -1.23 0.63 -1.41 0.00 -1.26 -4.81 121.76 115.58 3nr4 s ALA 45 Ca 0.45 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 3nr4 s ALA 45 Cb 0.13 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3nr4 s ALA 45 CO -0.05 -0.43 1.18 -2.30 0.00 0.00 0.00 175.76 174.16 3nr4 n PRO 46 N 0.64 1.05 0.23 0.00 -0.02 -1.26 -3.34 135.00 132.30 3nr4 n PRO 46 Ca -0.19 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.77 3nr4 n PRO 46 Cb 0.59 -2.41 0.55 0.00 -0.02 0.00 0.00 33.50 32.21 3nr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nr4 h ALA 47 N 0.52 1.62 0.00 3.55 0.00 -1.93 -1.31 119.26 121.71 3nr4 h ALA 47 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3nr4 h ALA 47 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3nr4 h ALA 47 CO 0.52 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 3nr4 n SER 48 N -4.20 0.14 -0.12 0.00 3.41 -1.26 -0.85 113.62 110.74 3nr4 n SER 48 Ca -0.02 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 58.94 3nr4 n SER 48 Cb 0.24 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.50 3nr4 n SER 48 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3nr4 n VAL 49 N -1.65 1.51 -0.06 -3.33 0.31 -0.55 -4.51 118.33 110.06 3nr4 n VAL 49 Ca 0.04 -0.59 -0.12 0.00 -0.01 0.00 0.00 64.34 63.65 3nr4 n VAL 49 Cb 0.21 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.66 3nr4 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3nr4 h VAL 50 N 0.01 1.30 -0.42 2.52 2.07 -1.22 -3.35 116.25 117.15 3nr4 h VAL 50 Ca -0.56 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 65.97 3nr4 h VAL 50 Cb 1.93 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 3nr4 h VAL 50 CO -0.07 0.31 0.09 -0.25 0.02 0.00 0.00 177.57 177.67 3nr4 h TRP 51 N 0.01 0.14 -1.00 1.57 -0.00 -1.25 -2.79 115.95 112.63 3nr4 h TRP 51 Ca 0.04 0.03 0.15 0.00 -0.00 0.00 0.00 58.89 59.10 3nr4 h TRP 51 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 29.57 3nr4 h TRP 51 CO 0.06 0.01 0.62 -1.35 -0.00 0.00 0.00 178.44 177.78 3nr4 h PRO 52 N 0.22 0.86 -0.76 2.65 0.11 -1.79 0.98 132.00 134.27 3nr4 h PRO 52 Ca 0.20 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.33 3nr4 h PRO 52 Cb 0.25 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 3nr4 h PRO 52 CO -0.26 0.57 0.43 -0.07 -0.21 0.00 0.00 178.00 178.46 3nr4 h LEU 53 N 0.89 0.64 -0.05 2.35 3.38 -1.66 -1.96 115.31 118.90 3nr4 h LEU 53 Ca 0.52 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.30 3nr4 h LEU 53 Cb 0.66 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.33 3nr4 h LEU 53 CO -0.30 0.40 -0.84 0.40 0.09 0.00 0.00 178.44 178.19 3nr4 h ILE 54 N 0.77 1.31 0.00 1.22 2.04 -1.30 -3.34 117.51 118.22 3nr4 h ILE 54 Ca 0.35 -2.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 3nr4 h ILE 54 Cb 0.25 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3nr4 h ILE 54 CO -0.21 0.64 -0.26 -0.09 0.00 0.00 0.00 178.15 178.24 3nr4 h ARG 55 N 0.31 0.00 -5.75 2.37 9.65 -0.65 -3.38 114.38 116.94 3nr4 h ARG 55 Ca -0.09 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.30 3nr4 h ARG 55 Cb 1.49 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.01 3nr4 h ARG 55 CO 0.17 0.26 1.49 0.50 2.80 0.00 0.00 179.97 185.19 3nr4 s ARG 56 N -4.26 3.21 0.40 0.20 6.06 -0.76 -4.82 118.95 118.98 3nr4 s ARG 56 Ca -0.03 -1.32 0.08 0.00 -2.50 0.00 0.00 55.73 51.96 3nr4 s ARG 56 Cb 0.14 -5.34 0.85 0.00 0.06 0.00 0.00 34.95 30.66 3nr4 s ARG 56 CO 0.68 -2.99 2.02 0.35 -2.50 0.00 0.00 175.30 172.85 3nr4 h PHE 57 N 9.21 0.58 0.00 5.12 3.57 -1.83 -2.02 116.94 131.57 3nr4 h PHE 57 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3nr4 h PHE 57 Cb 0.94 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3nr4 h PHE 57 CO 1.30 0.33 0.00 -0.40 -2.23 0.00 0.00 178.31 177.31 3nr4 n ASP 58 N -4.47 0.00 -2.78 0.41 3.85 -1.26 -4.30 116.55 108.01 3nr4 n ASP 58 Ca 0.06 -0.86 -0.15 0.00 -0.71 0.00 0.00 54.79 53.13 3nr4 n ASP 58 Cb 0.16 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.94 3nr4 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3nr4 n ASN 59 N -0.99 2.05 0.24 -1.12 4.05 -0.76 -4.59 115.26 114.15 3nr4 n ASN 59 Ca 0.20 -3.02 0.17 0.00 0.45 0.00 0.00 54.58 52.38 3nr4 n ASN 59 Cb 0.09 -0.54 0.78 0.00 1.23 0.00 0.00 39.78 41.34 3nr4 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3nr4 h PRO 60 N 2.93 0.00 0.00 1.20 0.13 -1.75 -2.87 132.00 131.64 3nr4 h PRO 60 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3nr4 h PRO 60 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3nr4 h PRO 60 CO 0.58 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.26 3nr4 h GLU 61 N 0.00 0.00 0.00 0.86 3.07 -1.91 -0.64 114.58 115.97 3nr4 h GLU 61 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3nr4 h GLU 61 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3nr4 h GLU 61 CO 0.00 0.02 -0.16 0.00 -1.40 0.00 0.00 179.01 177.47 3nr4 h ARG 62 N 0.00 0.00 0.00 2.33 3.08 -1.90 -3.29 114.38 114.60 3nr4 h ARG 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nr4 h ARG 62 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3nr4 h ARG 62 CO 0.00 0.16 0.00 2.48 -1.07 0.00 0.00 179.97 181.54 3nr4 n TYR 63 N -3.65 0.00 -4.81 3.04 0.18 -0.70 -4.79 117.16 106.42 3nr4 n TYR 63 Ca -0.02 -0.12 -0.31 0.00 1.88 0.00 0.00 57.90 59.33 3nr4 n TYR 63 Cb 0.28 -0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 39.10 3nr4 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3nr4 s LYS 64 N -0.24 2.12 0.62 -3.48 1.02 -0.33 -3.85 119.74 115.60 3nr4 s LYS 64 Ca 0.00 -0.94 -0.08 0.00 0.02 0.00 0.00 55.97 54.97 3nr4 s LYS 64 Cb 0.00 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 3nr4 s LYS 64 CO 0.00 0.55 0.96 -1.01 -0.92 0.00 0.00 175.35 174.93 3nr4 s HIS 65 N -0.84 3.32 -1.28 3.18 3.76 -1.26 -4.39 115.29 117.78 3nr4 s HIS 65 Ca 0.13 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 3nr4 s HIS 65 Cb -0.10 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.78 3nr4 s HIS 65 CO 0.03 -0.88 0.00 1.19 -0.85 0.00 0.00 174.74 174.23 3nr4 n PHE 66 N -2.69 -0.63 -4.19 1.40 3.72 -1.26 -5.00 117.46 108.80 3nr4 n PHE 66 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 3nr4 n PHE 66 Cb 0.57 -3.04 -0.15 0.00 -0.94 0.00 0.00 39.48 35.92 3nr4 n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3nr4 s VAL 67 N -2.71 2.44 -0.29 -4.37 1.01 -1.26 -2.36 120.40 112.86 3nr4 s VAL 67 Ca 0.00 -0.82 0.22 0.00 0.00 0.00 0.00 61.98 61.38 3nr4 s VAL 67 Cb 0.00 -2.05 -0.28 0.00 0.00 0.00 0.00 36.38 34.06 3nr4 s VAL 67 CO 0.00 0.51 0.65 1.17 0.00 0.00 0.00 175.10 177.43 3nr4 n LYS 68 N 4.51 0.49 -3.65 2.72 4.81 0.02 -4.91 118.16 122.15 3nr4 n LYS 68 Ca -0.20 -0.12 -0.02 0.00 -0.87 0.00 0.00 58.31 57.10 3nr4 n LYS 68 Cb 0.51 -1.54 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 3nr4 n LYS 68 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3nr4 s ARG 69 N -3.37 0.05 -0.15 1.64 3.52 -1.25 -4.97 118.95 114.41 3nr4 s ARG 69 Ca -0.03 0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 55.46 3nr4 s ARG 69 Cb 0.14 0.02 0.04 0.00 -1.56 0.00 0.00 34.95 33.60 3nr4 s ARG 69 CO 0.88 -0.01 0.40 0.00 -0.81 0.00 0.00 175.30 175.76 3nr4 s ARG 71 N 0.48 0.75 0.05 0.00 1.70 -0.94 -4.94 118.95 116.04 3nr4 s ARG 71 Ca -0.02 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 3nr4 s ARG 71 Cb -0.04 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 3nr4 s ARG 71 CO -0.02 -0.23 0.96 -0.51 -1.08 0.00 0.00 175.30 174.42 3nr4 s LEU 72 N -1.86 4.43 0.00 -1.89 1.43 -1.26 -0.54 118.68 118.99 3nr4 s LEU 72 Ca -0.07 1.70 0.17 0.00 -1.03 0.00 0.00 54.13 54.90 3nr4 s LEU 72 Cb -0.02 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 3nr4 s LEU 72 CO -0.01 -0.16 0.84 2.30 0.23 0.00 0.00 176.35 179.54 3nr4 n ILE 73 N 3.37 0.00 -3.66 -0.59 -5.35 -0.03 -4.91 119.36 108.19 3nr4 n ILE 73 Ca 0.04 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 3nr4 n ILE 73 Cb 0.50 1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 39.47 3nr4 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3nr4 s SER 74 N -2.16 -0.67 0.00 7.28 0.15 -1.04 -4.97 113.70 112.30 3nr4 s SER 74 Ca 0.12 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.05 3nr4 s SER 74 Cb 0.13 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 3nr4 s SER 74 CO 0.51 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.33 3nr4 n GLY 75 N 2.73 -2.31 0.00 9.45 0.00 -1.26 -1.30 105.19 112.51 3nr4 n GLY 75 Ca -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3nr4 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nr4 n ASP 76 N -0.51 1.23 0.00 1.61 8.00 -1.26 -4.93 116.55 120.69 3nr4 n ASP 76 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 3nr4 n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3nr4 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nr4 n GLY 77 N -0.31 0.98 4.01 0.44 0.00 -1.26 -5.05 105.19 104.01 3nr4 n GLY 77 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3nr4 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nr4 s ASP 78 N -1.04 4.93 0.25 1.61 -0.00 -1.26 -4.66 116.67 116.50 3nr4 s ASP 78 Ca 0.00 -0.54 -0.29 0.00 -0.00 0.00 0.00 52.55 51.72 3nr4 s ASP 78 Cb 0.00 -0.06 -0.15 0.00 -0.00 0.00 0.00 42.92 42.72 3nr4 s ASP 78 CO 0.00 -1.42 1.01 0.52 -0.00 0.00 0.00 175.17 175.27 3nr4 n VAL 79 N -2.41 1.71 0.00 -1.27 0.31 -1.26 -1.56 118.33 113.84 3nr4 n VAL 79 Ca 0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3nr4 n VAL 79 Cb 0.61 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3nr4 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nr4 n GLY 80 N 1.50 3.15 3.76 2.92 0.00 -0.11 -5.03 105.19 111.39 3nr4 n GLY 80 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3nr4 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nr4 s SER 81 N -1.11 5.84 -0.08 1.61 0.01 -0.60 -4.74 113.70 114.62 3nr4 s SER 81 Ca 0.00 2.74 0.04 0.00 1.31 0.00 0.00 55.95 60.03 3nr4 s SER 81 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3nr4 s SER 81 CO 0.00 -1.18 -0.19 -0.69 0.41 0.00 0.00 173.24 171.59 3nr4 s VAL 82 N -1.29 1.66 0.12 3.43 1.01 -0.42 -1.11 120.40 123.80 3nr4 s VAL 82 Ca 0.63 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3nr4 s VAL 82 Cb -0.40 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3nr4 s VAL 82 CO 0.49 0.47 -0.16 0.00 0.00 0.00 0.00 175.10 175.90 3nr4 s ARG 83 N 0.37 1.85 -0.24 2.72 1.70 0.26 -0.85 118.95 124.76 3nr4 s ARG 83 Ca -0.14 -1.15 -0.06 0.00 -0.47 0.00 0.00 55.73 53.90 3nr4 s ARG 83 Cb -0.16 -2.15 -0.02 0.00 -0.57 0.00 0.00 34.95 32.05 3nr4 s ARG 83 CO 0.06 0.48 0.04 -1.21 -1.08 0.00 0.00 175.30 173.59 3nr4 s GLU 84 N -2.17 3.59 -0.14 3.89 2.02 0.30 -1.25 118.70 124.94 3nr4 s GLU 84 Ca 0.19 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 3nr4 s GLU 84 Cb -0.11 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 3nr4 s GLU 84 CO 0.11 -0.16 -0.01 0.08 0.02 0.00 0.00 175.26 175.30 3nr4 s VAL 85 N 1.50 4.17 -0.31 2.63 1.01 0.19 -2.22 120.40 127.36 3nr4 s VAL 85 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 3nr4 s VAL 85 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3nr4 s VAL 85 CO 0.02 0.52 0.31 -0.89 0.00 0.00 0.00 175.10 175.06 3nr4 s THR 86 N -0.03 5.22 -0.05 3.92 2.01 -0.21 -0.48 115.64 126.01 3nr4 s THR 86 Ca 0.03 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 3nr4 s THR 86 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3nr4 s THR 86 CO 0.02 0.05 0.16 -0.69 -0.69 0.00 0.00 174.62 173.47 3nr4 s VAL 87 N 1.93 5.40 0.14 3.82 1.01 0.03 -0.80 120.40 131.92 3nr4 s VAL 87 Ca 0.11 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3nr4 s VAL 87 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3nr4 s VAL 87 CO 0.11 0.44 -0.09 0.27 0.00 0.00 0.00 175.10 175.82 3nr4 s ILE 88 N -1.20 3.30 0.00 2.22 -4.36 -0.99 -1.87 121.20 118.29 3nr4 s ILE 88 Ca 0.22 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 3nr4 s ILE 88 Cb -0.12 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.00 3nr4 s ILE 88 CO 0.13 0.01 0.00 -1.54 0.24 0.00 0.00 174.94 173.78 3nr4 n SER 89 N 0.40 0.00 0.19 4.36 3.41 -1.26 -4.86 113.62 115.86 3nr4 n SER 89 Ca -0.12 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.54 3nr4 n SER 89 Cb 0.54 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.88 3nr4 n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3nr4 h GLY 90 N 0.00 0.00 -1.75 5.00 0.00 -2.05 -3.44 103.07 100.83 3nr4 h GLY 90 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3nr4 h GLY 90 CO 0.00 0.00 0.20 1.08 0.00 0.00 0.00 176.54 177.82 3nr4 s LEU 91 N -7.53 3.43 0.75 3.11 1.02 -1.26 -5.05 118.68 113.15 3nr4 s LEU 91 Ca -0.01 0.98 -0.15 0.00 0.02 0.00 0.00 54.13 54.96 3nr4 s LEU 91 Cb 0.13 -3.92 0.05 0.00 0.02 0.00 0.00 46.19 42.46 3nr4 s LEU 91 CO 0.69 -0.78 1.23 -2.65 0.02 0.00 0.00 176.35 174.86 3nr4 n PRO 92 N -2.46 0.54 -1.38 1.29 -0.02 -1.26 -4.90 135.00 126.81 3nr4 n PRO 92 Ca 0.03 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 3nr4 n PRO 92 Cb 0.56 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3nr4 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nr4 n ALA 93 N -2.76 -1.78 -2.90 3.55 0.00 -1.26 -4.80 120.51 110.55 3nr4 n ALA 93 Ca 0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3nr4 n ALA 93 Cb 0.49 -1.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 3nr4 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3nr4 s SER 94 N -1.16 -0.04 -0.13 0.00 1.04 -0.78 -4.98 113.70 107.64 3nr4 s SER 94 Ca 0.65 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 3nr4 s SER 94 Cb -0.44 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 3nr4 s SER 94 CO 0.58 -0.97 -0.00 -0.89 0.98 0.00 0.00 173.24 172.94 3nr4 s THR 95 N -3.97 4.25 -0.20 2.02 2.01 -1.26 -0.79 115.64 117.69 3nr4 s THR 95 Ca 0.18 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3nr4 s THR 95 Cb 0.02 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.72 3nr4 s THR 95 CO 0.02 0.53 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.77 3nr4 s SER 96 N -0.13 3.51 -0.16 3.53 0.15 0.37 -3.97 113.70 116.99 3nr4 s SER 96 Ca 0.04 -0.88 -0.18 0.00 0.70 0.00 0.00 55.95 55.63 3nr4 s SER 96 Cb -0.13 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 3nr4 s SER 96 CO 0.02 -0.08 0.46 -0.89 1.20 0.00 0.00 173.24 173.96 3nr4 s THR 97 N 1.27 5.17 -0.02 6.45 2.01 -0.49 -0.64 115.64 129.39 3nr4 s THR 97 Ca 0.00 0.89 0.01 0.00 0.31 0.00 0.00 61.69 62.90 3nr4 s THR 97 Cb -0.15 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.57 3nr4 s THR 97 CO -0.10 0.27 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.46 3nr4 s GLU 98 N 1.05 0.47 -0.09 4.92 2.02 -0.38 -0.59 118.70 126.10 3nr4 s GLU 98 Ca 0.24 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.18 3nr4 s GLU 98 Cb -0.15 -0.53 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 3nr4 s GLU 98 CO 0.09 -0.03 -0.14 0.50 0.02 0.00 0.00 175.26 175.70 3nr4 s ARG 99 N 0.58 2.93 -0.42 1.61 3.52 -0.31 -0.57 118.95 126.29 3nr4 s ARG 99 Ca -0.06 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.56 3nr4 s ARG 99 Cb -0.10 -2.50 0.02 0.00 -1.56 0.00 0.00 34.95 30.81 3nr4 s ARG 99 CO -0.01 0.43 1.27 -1.17 -0.81 0.00 0.00 175.30 175.01 3nr4 s LEU 100 N -0.21 3.67 -0.04 -0.88 0.20 -0.27 -1.88 118.68 119.27 3nr4 s LEU 100 Ca 0.01 0.75 0.14 0.00 0.69 0.00 0.00 54.13 55.72 3nr4 s LEU 100 Cb -0.13 -3.54 -0.21 0.00 -0.43 0.00 0.00 46.19 41.87 3nr4 s LEU 100 CO 0.03 -1.28 0.64 -0.62 -0.29 0.00 0.00 176.35 174.83 3nr4 n GLU 101 N 7.80 0.64 -3.64 1.98 -0.58 -0.25 -0.93 120.64 125.66 3nr4 n GLU 101 Ca 0.14 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 57.04 3nr4 n GLU 101 Cb 0.48 -1.77 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 3nr4 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3nr4 s PHE 102 N -2.66 -0.58 -0.04 -0.32 5.36 -1.19 -4.84 117.98 113.71 3nr4 s PHE 102 Ca -0.05 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.26 3nr4 s PHE 102 Cb 0.08 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 3nr4 s PHE 102 CO 0.82 -0.28 0.09 0.08 -1.46 0.00 0.00 175.22 174.47 3nr4 s VAL 103 N 0.45 -0.01 -0.27 3.12 1.01 -1.26 -1.42 120.40 122.03 3nr4 s VAL 103 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 3nr4 s VAL 103 Cb -0.05 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 36.27 3nr4 s VAL 103 CO -0.06 0.01 0.04 -0.62 0.00 0.00 0.00 175.10 174.47 3nr4 s ASP 104 N 0.19 3.78 0.52 3.32 3.68 -0.40 -5.00 116.67 122.76 3nr4 s ASP 104 Ca -0.01 -1.37 0.31 0.00 2.13 0.00 0.00 52.55 53.61 3nr4 s ASP 104 Cb -0.02 -0.95 1.14 0.00 -1.45 0.00 0.00 42.92 41.64 3nr4 s ASP 104 CO -0.01 -0.34 1.90 0.44 0.13 0.00 0.00 175.17 177.30 3nr4 h ASP 105 N 8.05 0.00 0.03 -0.34 3.32 -1.97 0.34 116.42 125.85 3nr4 h ASP 105 Ca -0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 3nr4 h ASP 105 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3nr4 h ASP 105 CO 0.43 0.04 -0.37 0.44 -1.72 0.00 0.00 179.24 178.06 3nr4 h ASP 106 N 0.00 0.11 0.75 6.45 3.32 -1.97 -3.31 116.42 121.77 3nr4 h ASP 106 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 3nr4 h ASP 106 Cb 0.63 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3nr4 h ASP 106 CO 0.00 1.16 -0.05 1.41 -1.72 0.00 0.00 179.24 180.05 3nr4 n HIS 107 N -4.46 0.00 -3.04 4.55 8.25 -1.22 -4.97 115.22 114.33 3nr4 n HIS 107 Ca -0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 3nr4 n HIS 107 Cb 0.59 -0.37 0.06 0.00 1.12 0.00 0.00 29.99 31.39 3nr4 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3nr4 n ARG 108 N -1.37 -2.06 -4.85 -0.41 1.74 0.04 -4.40 116.66 105.36 3nr4 n ARG 108 Ca 0.10 0.76 -0.27 0.00 -0.77 0.00 0.00 57.85 57.68 3nr4 n ARG 108 Cb 0.30 -5.31 -0.16 0.00 -1.02 0.00 0.00 32.46 26.27 3nr4 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nr4 s VAL 109 N -3.34 1.47 -0.04 1.55 1.01 -0.79 -1.05 120.40 119.22 3nr4 s VAL 109 Ca 0.39 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3nr4 s VAL 109 Cb -0.05 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3nr4 s VAL 109 CO 0.65 0.43 -0.05 -0.22 0.00 0.00 0.00 175.10 175.90 3nr4 s LEU 110 N 0.20 1.43 -0.05 3.92 0.20 -0.06 -1.27 118.68 123.05 3nr4 s LEU 110 Ca -0.08 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.65 3nr4 s LEU 110 Cb -0.13 -0.44 -0.00 0.00 -0.43 0.00 0.00 46.19 45.19 3nr4 s LEU 110 CO 0.03 -0.03 -0.18 -0.55 -0.29 0.00 0.00 176.35 175.33 3nr4 s SER 111 N 0.75 2.27 0.07 3.68 0.15 -0.50 -1.05 113.70 119.06 3nr4 s SER 111 Ca -0.10 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 3nr4 s SER 111 Cb -0.13 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 3nr4 s SER 111 CO 0.00 0.14 -0.03 0.72 1.20 0.00 0.00 173.24 175.28 3nr4 s PHE 112 N 0.15 0.64 0.01 3.44 -0.12 -0.85 -1.08 117.98 120.17 3nr4 s PHE 112 Ca -0.07 -1.05 0.00 0.00 -0.05 0.00 0.00 56.93 55.76 3nr4 s PHE 112 Cb -0.13 -0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3nr4 s PHE 112 CO 0.03 -0.35 -0.03 -0.98 -0.05 0.00 0.00 175.22 173.85 3nr4 s ARG 113 N -3.92 0.25 -0.02 1.99 1.70 -0.79 -1.66 118.95 116.51 3nr4 s ARG 113 Ca 0.10 -0.39 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 3nr4 s ARG 113 Cb 0.07 -0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3nr4 s ARG 113 CO -0.08 -0.01 1.12 0.08 -1.08 0.00 0.00 175.30 175.33 3nr4 s VAL 114 N -0.85 4.42 -0.21 4.99 1.01 0.55 -1.16 120.40 129.15 3nr4 s VAL 114 Ca -0.08 1.73 0.11 0.00 0.00 0.00 0.00 61.98 63.74 3nr4 s VAL 114 Cb -0.06 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 31.99 3nr4 s VAL 114 CO -0.00 0.07 0.01 1.33 0.00 0.00 0.00 175.10 176.51 3nr4 n VAL 115 N 4.24 1.45 -3.66 2.92 0.24 0.24 -4.67 118.33 119.10 3nr4 n VAL 115 Ca 0.09 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.34 61.53 3nr4 n VAL 115 Cb 0.48 -0.89 -0.05 0.00 -1.47 0.00 0.00 33.84 31.91 3nr4 n VAL 115 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3nr4 s GLY 116 N -5.84 -0.26 0.00 7.63 0.00 -1.19 -5.04 107.32 102.63 3nr4 s GLY 116 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3nr4 s GLY 116 CO 0.75 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.27 3nr4 n GLY 117 N 0.09 2.09 0.58 0.20 0.00 -1.26 -1.39 105.19 105.50 3nr4 n GLY 117 Ca -0.17 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.03 3nr4 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nr4 n GLU 118 N -0.76 1.50 -1.54 1.61 4.71 -1.25 -4.98 120.64 119.91 3nr4 n GLU 118 Ca 0.00 -1.17 -0.40 0.00 -0.01 0.00 0.00 57.16 55.58 3nr4 n GLU 118 Cb 0.00 -1.48 0.02 0.00 -1.01 0.00 0.00 31.44 28.98 3nr4 n GLU 118 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 3nr4 n HIS 119 N 0.27 0.30 0.18 -0.32 -0.00 -1.26 -4.89 115.22 109.49 3nr4 n HIS 119 Ca 0.12 0.51 0.03 0.00 -0.00 0.00 0.00 57.72 58.38 3nr4 n HIS 119 Cb 0.48 -2.09 0.32 0.00 -0.00 0.00 0.00 29.99 28.69 3nr4 n HIS 119 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3nr4 h ARG 120 N 0.86 0.00 -4.91 -1.40 2.43 -2.02 -3.40 114.38 105.93 3nr4 h ARG 120 Ca -0.45 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.04 3nr4 h ARG 120 Cb 1.37 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.74 3nr4 h ARG 120 CO 0.52 0.44 -0.01 -0.51 -1.51 0.00 0.00 179.97 178.90 3nr4 s LEU 121 N -7.64 5.00 0.20 3.80 1.43 -1.26 -4.68 118.68 115.52 3nr4 s LEU 121 Ca -0.02 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 3nr4 s LEU 121 Cb 0.13 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 3nr4 s LEU 121 CO 0.72 -0.83 0.52 -0.54 0.23 0.00 0.00 176.35 176.45 3nr4 s LYS 122 N 2.49 3.81 -1.37 1.70 3.01 -1.26 -4.52 119.74 123.61 3nr4 s LYS 122 Ca 0.14 0.27 -0.08 0.00 -1.01 0.00 0.00 55.97 55.29 3nr4 s LYS 122 Cb -0.19 -2.74 0.01 0.00 -1.01 0.00 0.00 37.83 33.90 3nr4 s LYS 122 CO 0.12 0.38 1.10 0.09 0.51 0.00 0.00 175.35 177.54 3nr4 n ASN 123 N 0.12 -6.32 -4.74 2.83 3.02 -1.26 -1.08 115.26 107.82 3nr4 n ASN 123 Ca -0.01 -0.50 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 3nr4 n ASN 123 Cb 0.52 -4.97 -0.02 0.00 -0.61 0.00 0.00 39.78 34.70 3nr4 n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3nr4 s TYR 124 N -3.30 2.98 -0.07 3.10 5.04 -1.26 -4.44 117.35 119.40 3nr4 s TYR 124 Ca 0.54 0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 56.03 3nr4 s TYR 124 Cb -0.24 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.21 3nr4 s TYR 124 CO 0.67 -2.94 0.19 0.15 -1.34 0.00 0.00 175.55 172.29 3nr4 s LYS 125 N -0.17 0.23 0.05 4.97 1.02 -0.35 -0.33 119.74 125.16 3nr4 s LYS 125 Ca 0.62 0.26 -0.08 0.00 0.02 0.00 0.00 55.97 56.78 3nr4 s LYS 125 Cb -0.43 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 36.99 3nr4 s LYS 125 CO 0.42 -0.03 0.16 -1.54 -0.92 0.00 0.00 175.35 173.44 3nr4 s SER 126 N 0.07 0.11 -0.07 2.83 1.04 -0.66 -0.75 113.70 116.27 3nr4 s SER 126 Ca -0.00 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3nr4 s SER 126 Cb -0.01 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.40 3nr4 s SER 126 CO 0.00 -0.60 -0.14 -0.69 0.98 0.00 0.00 173.24 172.79 3nr4 s VAL 127 N -3.04 1.29 -0.10 5.02 1.01 -0.07 -2.00 120.40 122.51 3nr4 s VAL 127 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3nr4 s VAL 127 Cb 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3nr4 s VAL 127 CO -0.06 0.39 -0.23 -0.89 0.00 0.00 0.00 175.10 174.31 3nr4 s THR 128 N 0.53 1.95 0.06 3.92 2.01 -0.22 -1.16 115.64 122.74 3nr4 s THR 128 Ca -0.14 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.00 3nr4 s THR 128 Cb -0.15 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 3nr4 s THR 128 CO 0.04 0.54 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.33 3nr4 s SER 129 N 0.41 2.90 -0.20 3.53 1.04 -0.11 -0.88 113.70 120.39 3nr4 s SER 129 Ca -0.18 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.67 3nr4 s SER 129 Cb -0.18 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.73 3nr4 s SER 129 CO 0.08 0.20 -0.16 -0.69 0.98 0.00 0.00 173.24 173.64 3nr4 s VAL 130 N -0.87 2.23 -0.12 5.02 1.01 -0.21 -1.40 120.40 126.06 3nr4 s VAL 130 Ca 0.10 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3nr4 s VAL 130 Cb -0.10 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3nr4 s VAL 130 CO 0.03 0.40 -0.16 0.20 0.00 0.00 0.00 175.10 175.57 3nr4 s ASN 131 N 1.27 2.55 -0.01 3.32 0.01 -0.60 -4.64 114.94 116.85 3nr4 s ASN 131 Ca 0.02 -0.46 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 3nr4 s ASN 131 Cb -0.15 -1.14 -0.05 0.00 0.41 0.00 0.00 41.25 40.31 3nr4 s ASN 131 CO -0.10 0.01 0.37 -0.70 -1.51 0.00 0.00 177.10 175.17 3nr4 s GLU 132 N 1.05 3.83 0.18 -0.60 2.12 -1.26 -0.32 118.70 123.70 3nr4 s GLU 132 Ca -0.05 0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.66 3nr4 s GLU 132 Cb -0.15 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3nr4 s GLU 132 CO -0.03 0.69 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.17 3nr4 s PHE 133 N -1.12 1.63 -0.12 5.30 0.08 0.53 -4.97 117.98 119.32 3nr4 s PHE 133 Ca 0.24 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.73 3nr4 s PHE 133 Cb -0.16 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3nr4 s PHE 133 CO 0.13 0.29 -0.18 -1.17 -0.10 0.00 0.00 175.22 174.19 3nr4 s LEU 134 N -3.09 2.46 -0.70 -0.37 0.20 -1.26 -1.60 118.68 114.31 3nr4 s LEU 134 Ca 0.19 -0.42 -0.19 0.00 0.69 0.00 0.00 54.13 54.40 3nr4 s LEU 134 Cb -0.02 -1.53 0.12 0.00 -0.43 0.00 0.00 46.19 44.33 3nr4 s LEU 134 CO 0.06 0.16 0.86 0.21 -0.29 0.00 0.00 176.35 177.34 3nr4 s ASN 135 N 0.34 6.34 0.56 3.68 3.84 -0.85 -4.92 114.94 123.93 3nr4 s ASN 135 Ca -0.14 -1.61 0.25 0.00 0.21 0.00 0.00 52.86 51.56 3nr4 s ASN 135 Cb -0.17 -2.34 1.54 0.00 -0.55 0.00 0.00 41.25 39.73 3nr4 s ASN 135 CO 0.07 -1.11 2.13 0.06 -2.79 0.00 0.00 177.10 175.45 3nr4 h GLN 136 N 9.04 0.00 -0.33 0.43 -0.00 -1.95 0.30 115.11 122.60 3nr4 h GLN 136 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 3nr4 h GLN 136 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.53 3nr4 h GLN 136 CO 1.08 0.00 0.12 0.38 -0.00 0.00 0.00 178.83 180.41 3nr4 h ASP 137 N 0.00 0.47 0.00 0.06 -0.00 -1.97 -3.35 116.42 111.63 3nr4 h ASP 137 Ca 0.07 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.03 56.77 3nr4 h ASP 137 Cb 0.35 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.53 3nr4 h ASP 137 CO -0.00 0.52 -1.85 -1.54 -0.00 0.00 0.00 179.24 176.37 3nr4 n SER 138 N -4.69 1.52 0.00 4.15 3.41 -0.90 -5.00 113.62 112.11 3nr4 n SER 138 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3nr4 n SER 138 Cb 0.15 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3nr4 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nr4 n GLY 139 N 1.92 0.67 3.84 5.00 0.00 0.10 -5.06 105.19 111.66 3nr4 n GLY 139 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3nr4 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nr4 s LYS 140 N -0.69 3.85 0.51 1.61 1.02 -1.24 -4.84 119.74 119.97 3nr4 s LYS 140 Ca 0.00 0.32 -0.06 0.00 0.02 0.00 0.00 55.97 56.25 3nr4 s LYS 140 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3nr4 s LYS 140 CO 0.00 0.70 0.82 0.14 -0.92 0.00 0.00 175.35 176.09 3nr4 s VAL 141 N -1.04 4.76 0.32 3.17 -7.23 -1.26 -2.01 120.40 117.11 3nr4 s VAL 141 Ca 0.22 0.25 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 3nr4 s VAL 141 Cb -0.16 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 32.97 3nr4 s VAL 141 CO 0.12 -0.84 0.55 -0.72 -0.31 0.00 0.00 175.10 173.89 3nr4 s TYR 142 N -2.81 0.59 0.06 2.82 1.13 -0.63 -4.36 117.35 114.14 3nr4 s TYR 142 Ca 0.49 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 55.23 3nr4 s TYR 142 Cb -0.10 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 3nr4 s TYR 142 CO 0.46 -1.18 -0.12 0.95 -2.51 0.00 0.00 175.55 173.15 3nr4 s THR 143 N -3.27 0.90 -0.21 -3.49 -4.23 0.35 -0.35 115.64 105.33 3nr4 s THR 143 Ca 0.24 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3nr4 s THR 143 Cb -0.02 -0.90 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 3nr4 s THR 143 CO 0.14 -0.27 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.18 3nr4 s VAL 144 N -1.30 3.09 -0.12 2.29 1.01 0.57 -0.31 120.40 125.64 3nr4 s VAL 144 Ca -0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3nr4 s VAL 144 Cb -0.10 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3nr4 s VAL 144 CO 0.02 0.43 0.31 -0.69 0.00 0.00 0.00 175.10 175.16 3nr4 s VAL 145 N 1.43 5.26 -0.12 2.92 1.01 0.10 -1.56 120.40 129.45 3nr4 s VAL 145 Ca 0.05 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.64 3nr4 s VAL 145 Cb -0.14 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3nr4 s VAL 145 CO -0.05 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.58 3nr4 s LEU 146 N -0.06 2.51 -0.17 3.92 1.43 -0.49 -0.88 118.68 124.93 3nr4 s LEU 146 Ca 0.18 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3nr4 s LEU 146 Cb -0.14 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3nr4 s LEU 146 CO 0.06 0.16 -0.11 -0.70 0.23 0.00 0.00 176.35 176.00 3nr4 s GLU 147 N 0.34 2.01 -0.06 1.70 2.12 0.36 -0.93 118.70 124.24 3nr4 s GLU 147 Ca -0.14 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 3nr4 s GLU 147 Cb -0.17 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 3nr4 s GLU 147 CO 0.07 -0.34 0.01 -1.54 -0.54 0.00 0.00 175.26 172.92 3nr4 s SER 148 N 1.49 5.26 0.11 -1.70 1.04 -0.31 -0.75 113.70 118.85 3nr4 s SER 148 Ca 0.02 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.60 3nr4 s SER 148 Cb -0.14 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 3nr4 s SER 148 CO -0.09 0.35 -0.09 -0.72 0.98 0.00 0.00 173.24 173.66 3nr4 s TYR 149 N -0.96 1.10 -0.04 5.02 1.13 -0.63 -0.90 117.35 122.08 3nr4 s TYR 149 Ca 0.15 -0.74 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 3nr4 s TYR 149 Cb -0.11 -0.59 0.01 0.00 -1.10 0.00 0.00 41.96 40.16 3nr4 s TYR 149 CO 0.05 -0.00 -0.09 0.99 -2.51 0.00 0.00 175.55 173.99 3nr4 s THR 150 N -2.99 0.84 -0.03 -3.49 2.01 0.07 -2.33 115.64 109.71 3nr4 s THR 150 Ca 0.11 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 3nr4 s THR 150 Cb 0.01 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.77 3nr4 s THR 150 CO -0.01 0.27 0.26 0.54 -0.69 0.00 0.00 174.62 174.99 3nr4 s VAL 151 N 0.38 0.05 0.40 3.82 0.11 -0.85 -1.21 120.40 123.09 3nr4 s VAL 151 Ca -0.07 -0.40 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 3nr4 s VAL 151 Cb -0.11 -0.51 -0.08 0.00 -1.53 0.00 0.00 36.38 34.15 3nr4 s VAL 151 CO 0.01 -0.22 1.15 -1.81 -3.33 0.00 0.00 175.10 170.90 3nr4 s ASP 152 N -0.94 6.56 -0.32 3.54 1.11 -0.25 -1.47 116.67 124.90 3nr4 s ASP 152 Ca -0.10 2.30 -0.23 0.00 0.18 0.00 0.00 52.55 54.70 3nr4 s ASP 152 Cb -0.05 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.33 3nr4 s ASP 152 CO 0.03 -0.65 0.75 -0.63 1.18 0.00 0.00 175.17 175.85 3nr4 s ILE 153 N -1.45 4.81 0.50 0.77 1.01 0.05 -4.35 121.20 122.54 3nr4 s ILE 153 Ca 0.57 1.07 -0.22 0.00 0.00 0.00 0.00 60.65 62.06 3nr4 s ILE 153 Cb -0.29 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 3nr4 s ILE 153 CO 0.37 -0.26 1.26 -2.84 0.00 0.00 0.00 174.94 173.48 3nr4 s PRO 154 N 2.91 3.46 0.23 2.79 0.02 -1.26 -4.93 135.00 138.21 3nr4 s PRO 154 Ca 0.31 2.01 -0.32 0.00 0.02 0.00 0.00 61.00 63.02 3nr4 s PRO 154 Cb -0.14 -2.34 -0.13 0.00 0.02 0.00 0.00 34.50 31.91 3nr4 s PRO 154 CO 0.13 -0.87 1.51 0.39 -0.33 0.00 0.00 177.00 177.84 3nr4 n GLU 155 N -0.74 2.26 0.00 5.54 -0.58 -1.26 -1.43 120.64 124.43 3nr4 n GLU 155 Ca 0.09 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 3nr4 n GLU 155 Cb 0.46 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.80 3nr4 n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nr4 n GLY 156 N 2.61 3.10 3.91 0.62 0.00 -1.26 -5.06 105.19 109.12 3nr4 n GLY 156 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3nr4 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nr4 s ASN 157 N -1.14 6.38 0.26 1.61 -0.87 -0.51 -5.11 114.94 115.56 3nr4 s ASN 157 Ca 0.00 0.75 0.02 0.00 -1.57 0.00 0.00 52.86 52.05 3nr4 s ASN 157 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.25 39.03 3nr4 s ASN 157 CO 0.00 -0.33 0.43 0.42 -2.57 0.00 0.00 177.10 175.05 3nr4 s THR 158 N -2.32 5.20 0.26 1.60 -4.23 -1.26 -4.87 115.64 110.02 3nr4 s THR 158 Ca 0.45 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 3nr4 s THR 158 Cb -0.10 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.11 3nr4 s THR 158 CO 0.35 -0.35 1.85 -0.08 -0.54 0.00 0.00 174.62 175.86 3nr4 h GLU 159 N 1.33 1.10 -0.36 3.99 4.81 -1.97 -2.29 114.58 121.18 3nr4 h GLU 159 Ca -0.50 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 58.44 3nr4 h GLU 159 Cb 1.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3nr4 h GLU 159 CO 0.63 0.84 -0.32 0.93 -0.73 0.00 0.00 179.01 180.37 3nr4 h GLU 160 N 1.09 0.85 -0.15 1.92 5.08 -1.99 -1.13 114.58 120.25 3nr4 h GLU 160 Ca 0.26 -0.44 -0.20 0.00 -1.00 0.00 0.00 59.36 57.99 3nr4 h GLU 160 Cb 0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3nr4 h GLU 160 CO -0.03 1.08 -0.71 -0.44 -1.00 0.00 0.00 179.01 177.91 3nr4 h ASP 161 N 0.65 0.77 -0.44 1.42 3.32 -1.96 -2.44 116.42 117.73 3nr4 h ASP 161 Ca 0.06 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3nr4 h ASP 161 Cb 0.91 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3nr4 h ASP 161 CO 0.08 1.25 0.22 0.74 -1.72 0.00 0.00 179.24 179.82 3nr4 h THR 162 N 0.46 1.18 -0.86 0.35 2.02 -1.33 -2.40 112.91 112.33 3nr4 h THR 162 Ca -0.03 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3nr4 h THR 162 Cb 1.31 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3nr4 h THR 162 CO 0.14 0.19 0.42 0.50 0.37 0.00 0.00 175.52 177.14 3nr4 h LYS 163 N 0.57 1.23 -0.27 6.66 3.64 -1.18 -0.97 116.57 126.26 3nr4 h LYS 163 Ca 0.15 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 3nr4 h LYS 163 Cb 0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3nr4 h LYS 163 CO -0.02 0.94 -0.47 1.98 -2.27 0.00 0.00 179.45 179.61 3nr4 h MET 164 N 1.22 0.72 0.39 1.90 4.05 -1.26 0.19 114.93 122.15 3nr4 h MET 164 Ca 0.30 -0.41 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 3nr4 h MET 164 Cb 0.11 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3nr4 h MET 164 CO -0.04 1.03 -0.19 0.35 0.23 0.00 0.00 176.91 178.30 3nr4 h PHE 165 N 0.57 -0.49 -0.63 1.39 3.57 -1.22 -2.24 116.94 117.89 3nr4 h PHE 165 Ca 0.03 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3nr4 h PHE 165 Cb 1.03 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3nr4 h PHE 165 CO 0.05 -0.18 0.16 0.28 -2.23 0.00 0.00 178.31 176.39 3nr4 h VAL 166 N -0.80 1.25 -0.76 1.41 2.07 -1.09 -1.25 116.25 117.09 3nr4 h VAL 166 Ca -0.05 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.68 3nr4 h VAL 166 Cb 0.53 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3nr4 h VAL 166 CO 0.09 0.35 0.34 0.44 0.02 0.00 0.00 177.57 178.81 3nr4 h ASP 167 N 0.93 0.38 -0.23 0.57 5.19 -0.70 -1.20 116.42 121.36 3nr4 h ASP 167 Ca 0.20 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3nr4 h ASP 167 Cb 0.35 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3nr4 h ASP 167 CO 0.00 0.17 0.09 0.74 -3.12 0.00 0.00 179.24 177.12 3nr4 h THR 168 N 0.52 1.17 -0.36 0.35 2.02 -0.62 -1.85 112.91 114.14 3nr4 h THR 168 Ca 0.40 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3nr4 h THR 168 Cb 0.56 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3nr4 h THR 168 CO -0.36 0.17 0.03 0.58 0.37 0.00 0.00 175.52 176.31 3nr4 h VAL 169 N 0.22 1.25 -0.43 3.16 2.07 -0.96 -1.96 116.25 119.60 3nr4 h VAL 169 Ca 0.08 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3nr4 h VAL 169 Cb 0.18 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3nr4 h VAL 169 CO -0.01 0.30 0.20 0.58 0.02 0.00 0.00 177.57 178.67 3nr4 h VAL 170 N 0.44 1.18 -0.79 2.57 2.07 -1.21 -1.75 116.25 118.77 3nr4 h VAL 170 Ca 0.11 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3nr4 h VAL 170 Cb 0.41 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3nr4 h VAL 170 CO 0.01 0.20 0.36 0.50 0.02 0.00 0.00 177.57 178.66 3nr4 h LYS 171 N 0.55 1.14 -0.72 1.57 1.63 -1.27 -1.62 116.57 117.86 3nr4 h LYS 171 Ca 0.15 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 3nr4 h LYS 171 Cb 0.14 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 3nr4 h LYS 171 CO -0.02 0.89 0.25 -0.07 -3.45 0.00 0.00 179.45 177.05 3nr4 h LEU 172 N 1.13 1.02 -0.87 5.20 3.38 -1.12 -1.51 115.31 122.53 3nr4 h LEU 172 Ca 0.27 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3nr4 h LEU 172 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3nr4 h LEU 172 CO -0.03 0.93 -0.02 0.78 0.09 0.00 0.00 178.44 180.19 3nr4 h ASN 173 N 1.06 0.79 0.34 -0.43 2.35 -0.83 -1.43 115.58 117.43 3nr4 h ASN 173 Ca 0.24 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3nr4 h ASN 173 Cb 0.26 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3nr4 h ASN 173 CO -0.01 0.87 -0.50 -0.07 -1.65 0.00 0.00 177.43 176.06 3nr4 h LEU 174 N 0.76 0.20 -0.57 1.61 3.38 -0.92 0.72 115.31 120.49 3nr4 h LEU 174 Ca 0.14 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3nr4 h LEU 174 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3nr4 h LEU 174 CO 0.02 0.67 -0.12 1.56 0.09 0.00 0.00 178.44 180.67 3nr4 h GLN 175 N 0.15 1.02 -0.41 1.13 4.20 -0.97 -0.95 115.11 119.27 3nr4 h GLN 175 Ca 0.00 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 3nr4 h GLN 175 Cb 0.94 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3nr4 h GLN 175 CO 0.08 1.07 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.90 3nr4 h LYS 176 N 0.90 0.79 -0.60 1.46 3.64 -0.85 -1.72 116.57 120.19 3nr4 h LYS 176 Ca 0.14 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3nr4 h LYS 176 Cb 0.69 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 3nr4 h LYS 176 CO 0.05 0.91 0.33 1.25 -2.27 0.00 0.00 179.45 179.72 3nr4 h LEU 177 N 0.70 0.49 -0.32 5.20 5.85 -0.69 -1.24 115.31 125.30 3nr4 h LEU 177 Ca 0.11 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3nr4 h LEU 177 Cb 0.68 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3nr4 h LEU 177 CO 0.05 0.33 -0.06 1.23 -0.34 0.00 0.00 178.44 179.65 3nr4 h GLY 178 N 0.62 0.25 0.94 3.75 0.00 -0.66 -0.76 103.07 107.22 3nr4 h GLY 178 Ca 0.26 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.70 3nr4 h GLY 178 CO -0.16 -0.11 0.30 -2.08 0.00 0.00 0.00 176.54 174.49 3nr4 h VAL 179 N 0.02 1.08 -0.30 4.60 2.07 -1.01 -0.47 116.25 122.25 3nr4 h VAL 179 Ca 0.16 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3nr4 h VAL 179 Cb 0.23 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3nr4 h VAL 179 CO -0.31 0.11 0.05 0.00 0.02 0.00 0.00 177.57 177.43 3nr4 h ALA 180 N 1.20 0.39 -0.26 1.67 0.00 -0.90 -0.38 119.26 120.99 3nr4 h ALA 180 Ca 0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3nr4 h ALA 180 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nr4 h ALA 180 CO -0.07 0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.15 3nr4 h ALA 181 N 0.87 1.33 0.00 0.00 0.00 -1.01 -1.15 119.26 119.31 3nr4 h ALA 181 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nr4 h ALA 181 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3nr4 h ALA 181 CO 0.01 0.45 -0.62 0.25 0.00 0.00 0.00 179.25 179.34 3nr4 n THR 182 N -4.23 0.03 -1.22 0.00 -2.24 -0.20 -4.69 114.28 101.73 3nr4 n THR 182 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3nr4 n THR 182 Cb 0.30 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3nr4 n THR 182 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nr4 n SER 183 N -1.56 0.00 -4.66 3.42 3.41 -0.17 -5.06 113.62 109.00 3nr4 n SER 183 Ca 0.05 -0.76 -0.29 0.00 -0.26 0.00 0.00 58.87 57.60 3nr4 n SER 183 Cb 0.35 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 3nr4 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nr4 s ALA 184 N 0.00 3.21 0.57 7.33 0.00 -0.44 -5.01 121.76 127.42 3nr4 s ALA 184 Ca 0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 3nr4 s ALA 184 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 3nr4 s ALA 184 CO 0.00 0.65 0.96 -2.30 0.00 0.00 0.00 175.76 175.07 3nr4 n PRO 185 N 0.47 0.97 -2.03 0.00 -0.02 -1.26 -4.81 135.00 128.32 3nr4 n PRO 185 Ca -0.11 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.46 3nr4 n PRO 185 Cb 0.53 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3nr4 n PRO 185 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3nr4 s MET 186 N -2.62 2.44 0.55 -0.52 -1.94 -1.26 -5.04 119.30 110.90 3nr4 s MET 186 Ca 0.73 0.13 0.03 0.00 -1.71 0.00 0.00 55.69 54.87 3nr4 s MET 186 Cb -0.44 -2.07 0.02 0.00 2.01 0.00 0.00 34.83 34.36 3nr4 s MET 186 CO 0.49 -1.21 0.21 -1.01 -0.01 0.00 0.00 175.02 173.50 3nr4 s HIS 187 N -3.35 1.61 0.00 -0.03 3.76 -1.26 -5.24 115.29 110.77 3nr4 s HIS 187 Ca 0.59 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3nr4 s HIS 187 Cb -0.11 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3nr4 s HIS 187 CO 0.48 -0.19 0.00 -0.25 -0.85 0.00 0.00 174.74 173.94