#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nr4 s LEU 10 N 0.00 3.10 0.51 0.99 1.43 -1.26 -4.93 118.68 118.52 3nr4 s LEU 10 Ca 0.00 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 3nr4 s LEU 10 Cb 0.00 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3nr4 s LEU 10 CO 0.00 -0.24 0.82 0.42 0.23 0.00 0.00 176.35 177.59 3nr4 s THR 11 N -2.47 4.69 0.20 5.49 -4.23 -1.26 -4.89 115.64 113.17 3nr4 s THR 11 Ca 0.35 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 3nr4 s THR 11 Cb -0.02 -3.80 0.12 0.00 1.34 0.00 0.00 72.50 70.15 3nr4 s THR 11 CO 0.21 -0.81 1.74 0.44 -0.54 0.00 0.00 174.62 175.65 3nr4 h ASP 12 N 0.12 0.16 -0.97 3.99 3.32 -2.01 0.73 116.42 121.76 3nr4 h ASP 12 Ca -0.46 0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.70 3nr4 h ASP 12 Cb 1.21 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.77 3nr4 h ASP 12 CO 0.61 0.11 0.63 -0.08 -1.72 0.00 0.00 179.24 178.80 3nr4 h GLU 13 N 0.35 1.17 -0.05 3.56 4.57 -1.99 0.06 114.58 122.26 3nr4 h GLU 13 Ca 0.28 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3nr4 h GLU 13 Cb 0.34 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3nr4 h GLU 13 CO -0.30 0.77 -0.02 0.93 -1.18 0.00 0.00 179.01 179.22 3nr4 h GLU 14 N 1.21 0.10 -0.77 1.92 5.08 -1.66 -1.81 114.58 118.64 3nr4 h GLU 14 Ca 0.39 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.80 3nr4 h GLU 14 Cb 0.04 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 3nr4 h GLU 14 CO -0.13 0.49 0.42 1.96 -1.00 0.00 0.00 179.01 180.75 3nr4 h GLN 15 N -0.29 0.70 -0.47 2.33 4.20 -0.59 0.38 115.11 121.36 3nr4 h GLN 15 Ca 0.01 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3nr4 h GLN 15 Cb 0.46 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3nr4 h GLN 15 CO 0.01 0.46 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.37 3nr4 h LYS 16 N 0.72 0.86 -0.37 1.46 3.11 -1.01 -1.46 116.57 119.89 3nr4 h LYS 16 Ca 0.37 -0.30 -0.07 0.00 -2.81 0.00 0.00 60.65 57.83 3nr4 h LYS 16 Cb 0.33 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 3nr4 h LYS 16 CO -0.24 0.93 -0.07 1.15 -2.81 0.00 0.00 179.45 178.41 3nr4 h THR 17 N 0.71 1.24 -0.00 1.00 2.02 -0.53 -3.09 112.91 114.25 3nr4 h THR 17 Ca 0.13 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3nr4 h THR 17 Cb 0.57 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3nr4 h THR 17 CO 0.03 0.34 -0.30 0.18 0.37 0.00 0.00 175.52 176.15 3nr4 n LEU 18 N -4.21 0.30 -0.20 2.58 4.77 0.13 -4.41 117.00 115.97 3nr4 n LEU 18 Ca 0.01 0.20 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 3nr4 n LEU 18 Cb 0.32 -0.35 0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3nr4 n LEU 18 CO 0.41 0.08 0.89 -0.08 -1.33 0.00 0.00 177.39 177.35 3nr4 h GLU 19 N 0.01 0.20 -0.36 3.23 4.81 -1.18 0.03 114.58 121.32 3nr4 h GLU 19 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3nr4 h GLU 19 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3nr4 h GLU 19 CO 0.00 0.13 0.05 -1.35 -0.73 0.00 0.00 179.01 177.11 3nr4 h PRO 20 N 0.20 0.54 -0.15 0.92 0.11 -1.81 -0.53 132.00 131.28 3nr4 h PRO 20 Ca 0.32 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 3nr4 h PRO 20 Cb 0.49 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3nr4 h PRO 20 CO -0.44 0.53 -0.07 0.28 -0.21 0.00 0.00 178.00 178.08 3nr4 h VAL 21 N 0.52 1.31 -0.34 3.15 2.07 -1.35 -1.21 116.25 120.41 3nr4 h VAL 21 Ca 0.12 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3nr4 h VAL 21 Cb 0.26 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3nr4 h VAL 21 CO 0.00 0.33 0.22 0.40 0.02 0.00 0.00 177.57 178.54 3nr4 h ILE 22 N -0.02 1.10 0.00 4.57 2.04 -0.90 -1.34 117.51 122.96 3nr4 h ILE 22 Ca 0.03 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3nr4 h ILE 22 Cb 0.54 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3nr4 h ILE 22 CO 0.02 0.10 -0.12 0.11 0.00 0.00 0.00 178.15 178.26 3nr4 h LYS 23 N 0.45 0.00 0.07 2.37 1.57 -1.07 -1.92 116.57 118.05 3nr4 h LYS 23 Ca 0.12 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.54 3nr4 h LYS 23 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3nr4 h LYS 23 CO -0.03 0.12 -2.07 2.41 -0.57 0.00 0.00 179.45 179.32 3nr4 n THR 24 N -3.48 1.67 0.04 -0.16 -1.04 -0.46 -4.64 114.28 106.21 3nr4 n THR 24 Ca -0.01 -0.56 0.02 0.00 -2.04 0.00 0.00 64.05 61.47 3nr4 n THR 24 Cb 0.28 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 3nr4 n THR 24 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3nr4 n TYR 25 N -3.56 0.00 -1.44 -1.42 4.01 -0.54 -4.73 117.16 109.48 3nr4 n TYR 25 Ca -0.37 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.35 3nr4 n TYR 25 Cb 0.99 -0.09 0.20 0.00 -0.31 0.00 0.00 39.34 40.13 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 -1.56 0.90 -2.39 -0.72 8.25 -0.72 -4.89 115.22 114.08 3nr4 n HIS 26 Ca -0.01 -1.54 -0.36 0.00 -0.26 0.00 0.00 57.72 55.56 3nr4 n HIS 26 Cb 0.12 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 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 -3.22 3.74 0.07 -0.41 -1.52 -1.23 -4.92 119.66 112.16 3nr4 s GLN 27 Ca 0.43 1.57 0.04 0.00 -1.95 0.00 0.00 55.36 55.45 3nr4 s GLN 27 Cb 0.40 -2.23 -0.03 0.00 -0.22 0.00 0.00 33.01 30.92 3nr4 s GLN 27 CO -0.01 -0.52 -0.11 -0.59 -0.25 0.00 0.00 175.29 173.81 3nr4 s PHE 28 N -1.75 0.98 -0.43 0.91 -0.12 -1.26 -5.11 117.98 111.21 3nr4 s PHE 28 Ca 0.66 -0.52 -0.17 0.00 -0.05 0.00 0.00 56.93 56.86 3nr4 s PHE 28 Cb -0.23 -0.56 0.03 0.00 -0.63 0.00 0.00 43.02 41.63 3nr4 s PHE 28 CO 0.27 -0.01 0.40 -1.83 -0.05 0.00 0.00 175.22 174.00 3nr4 s GLU 29 N -1.91 3.05 0.21 1.99 4.04 -1.26 -5.04 118.70 119.78 3nr4 s GLU 29 Ca -0.03 -0.89 -0.32 0.00 0.04 0.00 0.00 54.97 53.76 3nr4 s GLU 29 Cb -0.08 -3.99 -0.14 0.00 0.02 0.00 0.00 34.13 29.93 3nr4 s GLU 29 CO 0.01 -0.85 1.31 -0.35 -1.84 0.00 0.00 175.26 173.53 3nr4 n PRO 30 N 5.46 1.66 -3.69 -4.83 -0.04 -1.26 -4.99 135.00 127.31 3nr4 n PRO 30 Ca -0.09 0.59 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3nr4 n PRO 30 Cb 0.47 -2.18 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3nr4 n PRO 30 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3nr4 s ASP 31 N 0.18 -0.61 0.47 3.54 3.68 -1.26 -5.03 116.67 117.64 3nr4 s ASP 31 Ca 0.71 1.05 0.19 0.00 2.13 0.00 0.00 52.55 56.63 3nr4 s ASP 31 Cb -0.74 0.96 1.17 0.00 -1.45 0.00 0.00 42.92 42.85 3nr4 s ASP 31 CO 0.50 -0.20 2.02 -0.65 0.13 0.00 0.00 175.17 176.97 3nr4 h PRO 32 N 6.70 0.00 -0.01 4.34 0.11 -2.04 -2.84 132.00 138.27 3nr4 h PRO 32 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3nr4 h PRO 32 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3nr4 h PRO 32 CO 0.24 0.17 -0.16 0.25 -0.21 0.00 0.00 178.00 178.29 3nr4 n THR 33 N -4.06 0.00 -4.46 -1.15 -2.24 -1.26 -4.89 114.28 96.22 3nr4 n THR 33 Ca -0.02 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 3nr4 n THR 33 Cb 0.25 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.34 2.47 -0.13 4.28 -4.23 -1.07 -1.53 115.64 113.09 3nr4 s THR 34 Ca 0.29 -2.36 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3nr4 s THR 34 Cb 0.20 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3nr4 s THR 34 CO 0.46 -0.36 -0.15 0.00 -0.54 0.00 0.00 174.62 174.02 3nr4 s THR 36 N 0.42 1.47 -0.11 0.00 -4.23 -1.26 -1.83 115.64 110.09 3nr4 s THR 36 Ca -0.12 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.76 3nr4 s THR 36 Cb -0.16 -1.33 0.11 0.00 1.34 0.00 0.00 72.50 72.46 3nr4 s THR 36 CO 0.06 -0.03 0.92 -0.55 -0.54 0.00 0.00 174.62 174.48 3nr4 s SER 37 N -1.59 -0.42 -0.15 3.99 0.15 -0.98 -5.00 113.70 109.69 3nr4 s SER 37 Ca 0.04 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.08 3nr4 s SER 37 Cb -0.09 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 3nr4 s SER 37 CO 0.03 -0.44 -0.18 -0.22 1.20 0.00 0.00 173.24 173.63 3nr4 s LEU 38 N -1.38 2.30 -0.05 3.45 2.96 -1.26 -1.22 118.68 123.47 3nr4 s LEU 38 Ca -0.02 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3nr4 s LEU 38 Cb -0.00 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 3nr4 s LEU 38 CO 0.01 0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.38 3nr4 s ILE 39 N 0.89 3.41 0.18 6.68 -1.09 0.16 -4.97 121.20 126.47 3nr4 s ILE 39 Ca -0.04 -0.63 0.11 0.00 -2.23 0.00 0.00 60.65 57.86 3nr4 s ILE 39 Cb -0.15 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 3nr4 s ILE 39 CO -0.02 0.57 -0.23 0.42 -1.23 0.00 0.00 174.94 174.45 3nr4 s THR 40 N -0.80 2.44 -0.17 2.92 -4.23 -1.26 -0.79 115.64 113.75 3nr4 s THR 40 Ca 0.13 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 3nr4 s THR 40 Cb -0.11 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.64 3nr4 s THR 40 CO 0.02 -0.08 0.39 -1.58 -0.54 0.00 0.00 174.62 172.83 3nr4 s GLN 41 N -2.59 0.34 -0.10 3.99 2.00 0.13 -4.99 119.66 118.45 3nr4 s GLN 41 Ca 0.20 0.85 -0.19 0.00 -2.00 0.00 0.00 55.36 54.22 3nr4 s GLN 41 Cb -0.08 0.08 -0.04 0.00 0.80 0.00 0.00 33.01 33.76 3nr4 s GLN 41 CO 0.10 -0.20 0.50 0.50 -0.50 0.00 0.00 175.29 175.69 3nr4 s ARG 42 N 1.84 4.32 -0.06 1.67 3.52 -1.26 -0.53 118.95 128.45 3nr4 s ARG 42 Ca -0.06 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.07 3nr4 s ARG 42 Cb -0.10 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3nr4 s ARG 42 CO -0.12 0.20 -0.13 0.42 -0.81 0.00 0.00 175.30 174.86 3nr4 s ILE 43 N 0.47 1.18 -1.31 4.11 1.01 0.49 -4.99 121.20 122.17 3nr4 s ILE 43 Ca 0.27 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 3nr4 s ILE 43 Cb -0.16 -1.07 0.14 0.00 0.01 0.00 0.00 42.46 41.39 3nr4 s ILE 43 CO 0.12 0.36 2.06 1.41 0.00 0.00 0.00 174.94 178.89 3nr4 n HIS 44 N 3.74 2.83 -3.52 3.97 8.25 -1.26 0.03 115.22 129.26 3nr4 n HIS 44 Ca -0.22 -2.81 -0.12 0.00 -0.26 0.00 0.00 57.72 54.31 3nr4 n HIS 44 Cb 0.52 -1.95 -0.04 0.00 1.12 0.00 0.00 29.99 29.64 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 0.09 -1.33 0.68 -1.41 0.00 -1.26 -4.79 121.76 113.73 3nr4 s ALA 45 Ca 0.45 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 3nr4 s ALA 45 Cb 0.12 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3nr4 s ALA 45 CO -0.03 -0.66 1.18 -2.14 0.00 0.00 0.00 175.76 174.11 3nr4 s PRO 46 N -3.43 2.53 0.48 0.00 0.02 -1.26 -3.29 135.00 130.06 3nr4 s PRO 46 Ca 0.00 1.67 0.21 0.00 0.02 0.00 0.00 61.00 62.90 3nr4 s PRO 46 Cb 0.00 -1.89 1.21 0.00 0.02 0.00 0.00 34.50 33.84 3nr4 s PRO 46 CO -0.10 -1.51 2.02 0.00 -0.33 0.00 0.00 177.00 177.08 3nr4 h ALA 47 N 0.10 1.46 0.00 -1.55 0.00 -1.93 -1.50 119.26 115.83 3nr4 h ALA 47 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3nr4 h ALA 47 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3nr4 h ALA 47 CO 0.52 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.64 3nr4 h SER 48 N 0.00 0.00 0.03 0.00 4.64 -2.01 -0.31 113.55 115.91 3nr4 h SER 48 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 3nr4 h SER 48 Cb 0.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 3nr4 h SER 48 CO 0.02 0.00 -2.37 0.52 -0.87 0.00 0.00 176.83 174.13 3nr4 n VAL 49 N -2.44 1.47 -0.03 0.95 0.31 -0.61 -4.52 118.33 113.46 3nr4 n VAL 49 Ca 0.01 -0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 63.49 3nr4 n VAL 49 Cb 0.18 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.00 1.42 -0.47 2.52 2.07 -1.20 -3.37 116.25 117.23 3nr4 h VAL 50 Ca -0.54 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 65.66 3nr4 h VAL 50 Cb 2.07 2.24 -0.07 0.00 -1.52 0.00 0.00 31.29 34.01 3nr4 h VAL 50 CO -0.02 0.38 0.05 -0.25 0.02 0.00 0.00 177.57 177.75 3nr4 h TRP 51 N -0.37 0.07 -0.12 1.57 -0.00 -1.30 -2.12 115.95 113.68 3nr4 h TRP 51 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.96 3nr4 h TRP 51 Cb 0.66 0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.86 3nr4 h TRP 51 CO 0.12 -0.05 0.10 -1.00 -0.00 0.00 0.00 178.44 177.60 3nr4 h PRO 52 N 0.17 0.00 -0.57 2.65 0.13 -1.80 0.16 132.00 132.74 3nr4 h PRO 52 Ca 0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.31 3nr4 h PRO 52 Cb 0.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 3nr4 h PRO 52 CO -0.34 0.00 0.15 -0.07 -0.23 0.00 0.00 178.00 177.51 3nr4 h LEU 53 N 0.00 0.82 0.21 1.56 3.38 -1.56 -2.50 115.31 117.22 3nr4 h LEU 53 Ca 0.06 -0.14 -0.34 0.00 0.09 0.00 0.00 57.88 57.54 3nr4 h LEU 53 Cb 0.25 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.80 3nr4 h LEU 53 CO -0.00 0.79 -1.63 0.40 0.09 0.00 0.00 178.44 178.09 3nr4 h ILE 54 N 0.85 1.09 0.00 1.22 2.04 -1.07 -3.35 117.51 118.29 3nr4 h ILE 54 Ca 0.19 -2.61 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 3nr4 h ILE 54 Cb 0.29 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3nr4 h ILE 54 CO -0.00 0.84 -0.23 -0.09 0.00 0.00 0.00 178.15 178.67 3nr4 h ARG 55 N 0.12 0.00 -5.76 2.37 9.65 -0.76 -3.39 114.38 116.62 3nr4 h ARG 55 Ca -0.30 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.15 3nr4 h ARG 55 Cb 2.12 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.64 3nr4 h ARG 55 CO 0.22 0.23 1.21 0.50 2.80 0.00 0.00 179.97 184.92 3nr4 s ARG 56 N -4.09 2.98 0.43 0.20 6.06 -0.95 -4.81 118.95 118.78 3nr4 s ARG 56 Ca -0.02 -0.96 0.12 0.00 -2.50 0.00 0.00 55.73 52.37 3nr4 s ARG 56 Cb 0.13 -5.25 0.94 0.00 0.06 0.00 0.00 34.95 30.83 3nr4 s ARG 56 CO 0.64 -3.11 1.99 0.35 -2.50 0.00 0.00 175.30 172.67 3nr4 h PHE 57 N 9.99 0.13 0.00 5.12 3.57 -1.84 -2.16 116.94 131.75 3nr4 h PHE 57 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3nr4 h PHE 57 Cb 0.97 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3nr4 h PHE 57 CO 1.26 0.24 0.00 -0.40 -2.23 0.00 0.00 178.31 177.18 3nr4 n ASP 58 N -4.34 0.00 -2.68 0.41 3.85 -1.26 -4.30 116.55 108.23 3nr4 n ASP 58 Ca -0.01 -0.10 -0.21 0.00 -0.71 0.00 0.00 54.79 53.75 3nr4 n ASP 58 Cb 0.22 -0.30 -0.00 0.00 -1.35 0.00 0.00 41.12 39.69 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 -1.30 3.45 0.29 -1.12 4.05 -0.81 -4.43 115.26 115.39 3nr4 n ASN 59 Ca 0.14 -3.38 0.18 0.00 0.45 0.00 0.00 54.58 51.97 3nr4 n ASN 59 Cb 0.25 -0.51 0.78 0.00 1.23 0.00 0.00 39.78 41.53 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 2.80 0.00 -1.00 1.20 0.13 -1.75 -2.61 132.00 130.77 3nr4 h PRO 60 Ca 0.15 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.55 3nr4 h PRO 60 Cb 0.92 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 3nr4 h PRO 60 CO 0.72 0.00 0.70 0.93 -0.23 0.00 0.00 178.00 180.12 3nr4 h GLU 61 N 0.00 0.11 -0.17 0.86 3.07 -1.83 -1.50 114.58 115.11 3nr4 h GLU 61 Ca -0.00 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3nr4 h GLU 61 Cb 0.42 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3nr4 h GLU 61 CO 0.00 0.08 0.13 0.00 -1.40 0.00 0.00 179.01 177.82 3nr4 h ARG 62 N 0.12 0.00 0.00 2.33 3.08 -1.84 -3.22 114.38 114.84 3nr4 h ARG 62 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 3nr4 h ARG 62 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3nr4 h ARG 62 CO -0.08 0.00 0.00 2.48 -1.07 0.00 0.00 179.97 181.30 3nr4 n TYR 63 N -4.43 0.00 -5.06 3.04 0.18 -0.65 -4.77 117.16 105.47 3nr4 n TYR 63 Ca 0.01 -0.11 -0.32 0.00 1.88 0.00 0.00 57.90 59.36 3nr4 n TYR 63 Cb 0.26 -0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.22 2.98 0.75 -3.48 1.02 -0.72 -3.89 119.74 116.17 3nr4 s LYS 64 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 3nr4 s LYS 64 Cb 0.00 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 34.98 3nr4 s LYS 64 CO 0.00 0.28 1.11 -1.01 -0.92 0.00 0.00 175.35 174.81 3nr4 s HIS 65 N 0.12 3.09 0.00 3.18 3.76 -1.26 -4.05 115.29 120.13 3nr4 s HIS 65 Ca -0.10 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 3nr4 s HIS 65 Cb -0.16 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.40 3nr4 s HIS 65 CO 0.06 -1.48 0.00 1.19 -0.85 0.00 0.00 174.74 173.66 3nr4 n PHE 66 N -3.21 0.00 -3.75 1.40 3.72 -1.26 -4.92 117.46 109.44 3nr4 n PHE 66 Ca 0.07 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 3nr4 n PHE 66 Cb 0.57 -0.95 -0.12 0.00 -0.94 0.00 0.00 39.48 38.05 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 -1.98 3.54 -0.06 -4.37 1.01 -1.26 -1.18 120.40 116.10 3nr4 s VAL 67 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 3nr4 s VAL 67 Cb 0.00 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.04 3nr4 s VAL 67 CO 0.00 -0.46 0.64 0.50 0.00 0.00 0.00 175.10 175.78 3nr4 h LYS 68 N 8.16 -0.24 -4.76 2.72 3.64 -1.61 -3.43 116.57 121.05 3nr4 h LYS 68 Ca -0.19 0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.93 3nr4 h LYS 68 Cb 1.06 0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 32.75 3nr4 h LYS 68 CO 0.67 0.09 -0.73 0.50 -2.27 0.00 0.00 179.45 177.72 3nr4 s ARG 69 N -2.96 0.71 -0.27 1.90 3.52 -1.24 -4.98 118.95 115.64 3nr4 s ARG 69 Ca -0.10 -1.02 -0.23 0.00 -0.13 0.00 0.00 55.73 54.25 3nr4 s ARG 69 Cb 0.00 -0.38 0.07 0.00 -1.56 0.00 0.00 34.95 33.08 3nr4 s ARG 69 CO 0.34 0.05 0.71 0.00 -0.81 0.00 0.00 175.30 175.59 3nr4 s ARG 71 N 0.59 0.93 0.21 0.00 1.70 -0.93 -4.89 118.95 116.56 3nr4 s ARG 71 Ca -0.02 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 3nr4 s ARG 71 Cb -0.05 0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 34.65 3nr4 s ARG 71 CO -0.02 -0.33 1.08 -0.51 -1.08 0.00 0.00 175.30 174.44 3nr4 s LEU 72 N -2.44 4.53 0.00 -1.89 1.43 -1.26 -0.77 118.68 118.28 3nr4 s LEU 72 Ca -0.01 2.12 0.13 0.00 -1.03 0.00 0.00 54.13 55.34 3nr4 s LEU 72 Cb 0.01 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3nr4 s LEU 72 CO -0.07 -0.15 0.73 2.30 0.23 0.00 0.00 176.35 179.39 3nr4 n ILE 73 N 1.92 0.00 -3.63 -0.59 -5.35 0.32 -4.86 119.36 107.17 3nr4 n ILE 73 Ca 0.01 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 62.02 3nr4 n ILE 73 Cb 0.46 1.15 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 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 -1.66 -0.60 0.00 7.28 0.15 -1.05 -4.96 113.70 112.86 3nr4 s SER 74 Ca 0.11 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.92 3nr4 s SER 74 Cb 0.10 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 3nr4 s SER 74 CO 0.34 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3nr4 n GLY 75 N 2.47 -2.17 0.00 9.45 0.00 -1.26 -1.36 105.19 112.32 3nr4 n GLY 75 Ca -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.46 0.84 0.00 1.61 8.00 -1.26 -4.95 116.55 121.25 3nr4 n ASP 76 Ca 0.00 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.19 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 -0.15 1.22 3.25 0.44 0.00 -1.26 -5.06 105.19 103.63 3nr4 n GLY 77 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3nr4 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nr4 n ASP 78 N 0.00 1.50 -4.68 1.61 10.43 -1.26 -4.70 116.55 119.45 3nr4 n ASP 78 Ca 0.00 -2.15 -0.45 0.00 2.57 0.00 0.00 54.79 54.77 3nr4 n ASP 78 Cb 0.00 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.50 3nr4 n ASP 78 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3nr4 n VAL 79 N -2.28 0.84 0.00 2.53 0.31 -1.26 -1.64 118.33 116.83 3nr4 n VAL 79 Ca 0.14 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3nr4 n VAL 79 Cb 0.50 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 2.31 2.81 3.76 2.92 0.00 0.44 -5.02 105.19 112.40 3nr4 n GLY 80 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3nr4 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3nr4 n SER 81 N 0.00 3.42 -4.19 1.61 7.64 -0.65 -4.75 113.62 116.70 3nr4 n SER 81 Ca 0.00 1.18 -0.32 0.00 1.01 0.00 0.00 58.87 60.74 3nr4 n SER 81 Cb 0.00 -1.59 -0.17 0.00 -1.01 0.00 0.00 64.21 61.45 3nr4 n SER 81 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3nr4 s VAL 82 N -1.15 2.12 -0.01 0.44 1.01 -0.47 -1.23 120.40 121.12 3nr4 s VAL 82 Ca 0.57 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3nr4 s VAL 82 Cb -0.48 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3nr4 s VAL 82 CO 0.61 0.55 0.03 0.00 0.00 0.00 0.00 175.10 176.29 3nr4 s ARG 83 N 0.69 2.89 -0.22 2.72 1.70 0.06 -0.52 118.95 126.27 3nr4 s ARG 83 Ca -0.10 -0.56 -0.09 0.00 -0.47 0.00 0.00 55.73 54.51 3nr4 s ARG 83 Cb -0.16 -2.74 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 3nr4 s ARG 83 CO 0.01 0.64 0.11 -2.00 -1.08 0.00 0.00 175.30 172.98 3nr4 s GLU 84 N -1.58 3.96 -0.08 3.89 2.12 0.05 -0.83 118.70 126.22 3nr4 s GLU 84 Ca 0.20 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.24 3nr4 s GLU 84 Cb -0.12 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 3nr4 s GLU 84 CO 0.11 0.09 -0.21 0.08 -0.54 0.00 0.00 175.26 174.79 3nr4 s VAL 85 N 0.93 2.39 -0.33 3.70 1.01 0.29 -2.19 120.40 126.21 3nr4 s VAL 85 Ca 0.06 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 3nr4 s VAL 85 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3nr4 s VAL 85 CO 0.03 0.56 0.29 -0.89 0.00 0.00 0.00 175.10 175.10 3nr4 s THR 86 N -0.03 5.23 -0.21 3.92 2.01 -0.54 0.21 115.64 126.23 3nr4 s THR 86 Ca -0.06 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 3nr4 s THR 86 Cb -0.15 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3nr4 s THR 86 CO 0.05 0.01 0.18 -0.69 -0.69 0.00 0.00 174.62 173.48 3nr4 s VAL 87 N 1.88 5.36 -0.10 3.82 1.01 -0.41 -1.47 120.40 130.49 3nr4 s VAL 87 Ca 0.09 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 3nr4 s VAL 87 Cb -0.17 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3nr4 s VAL 87 CO 0.11 0.39 0.25 0.27 0.00 0.00 0.00 175.10 176.12 3nr4 s ILE 88 N 0.67 5.31 0.00 2.22 -5.25 -0.33 -3.16 121.20 120.67 3nr4 s ILE 88 Ca 0.10 0.47 0.00 0.00 -0.99 0.00 0.00 60.65 60.23 3nr4 s ILE 88 Cb -0.12 -3.55 0.00 0.00 2.95 0.00 0.00 42.46 41.74 3nr4 s ILE 88 CO 0.02 0.54 0.00 -1.54 -1.79 0.00 0.00 174.94 172.17 3nr4 n SER 89 N 2.40 0.00 0.26 4.36 3.41 -1.26 -4.78 113.62 118.01 3nr4 n SER 89 Ca -0.16 -0.69 0.15 0.00 -0.26 0.00 0.00 58.87 57.90 3nr4 n SER 89 Cb 0.53 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.15 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 -1.10 5.00 0.00 -2.04 -3.44 103.07 101.49 3nr4 h GLY 90 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3nr4 h GLY 90 CO 0.00 0.00 0.24 1.08 0.00 0.00 0.00 176.54 177.86 3nr4 s LEU 91 N -6.58 2.81 0.95 3.11 1.43 -1.26 -5.05 118.68 114.10 3nr4 s LEU 91 Ca -0.00 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 3nr4 s LEU 91 Cb 0.10 -3.15 0.14 0.00 0.03 0.00 0.00 46.19 43.31 3nr4 s LEU 91 CO 0.57 -1.59 0.97 -2.65 0.23 0.00 0.00 176.35 173.88 3nr4 n PRO 92 N -2.93 -0.58 -1.93 1.29 -0.02 -1.26 -4.88 135.00 124.69 3nr4 n PRO 92 Ca 0.08 -0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 3nr4 n PRO 92 Cb 0.60 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3nr4 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nr4 s ALA 93 N -2.57 3.72 0.11 3.55 0.00 -1.26 -4.76 121.76 120.55 3nr4 s ALA 93 Ca 0.65 1.40 0.06 0.00 0.00 0.00 0.00 51.96 54.06 3nr4 s ALA 93 Cb -0.23 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3nr4 s ALA 93 CO 0.60 -0.80 -0.14 -1.54 0.00 0.00 0.00 175.76 173.88 3nr4 s SER 94 N 0.73 1.90 -0.10 0.00 1.04 -1.19 -5.00 113.70 111.09 3nr4 s SER 94 Ca 0.65 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3nr4 s SER 94 Cb -0.44 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.58 3nr4 s SER 94 CO 0.39 -0.14 0.10 0.28 0.98 0.00 0.00 173.24 174.85 3nr4 s THR 95 N -2.02 5.14 -0.01 2.02 -1.32 -1.26 -1.28 115.64 116.90 3nr4 s THR 95 Ca 0.07 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 3nr4 s THR 95 Cb -0.06 -3.24 -0.00 0.00 -1.51 0.00 0.00 72.50 67.70 3nr4 s THR 95 CO 0.03 0.58 -0.07 -0.55 -2.21 0.00 0.00 174.62 172.40 3nr4 s SER 96 N -1.09 0.86 -0.09 8.08 0.15 0.13 -4.97 113.70 116.78 3nr4 s SER 96 Ca 0.16 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.71 3nr4 s SER 96 Cb -0.12 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3nr4 s SER 96 CO 0.05 0.07 -0.18 0.42 1.20 0.00 0.00 173.24 174.80 3nr4 s THR 97 N 0.00 2.65 -0.01 6.45 -4.23 -0.87 0.11 115.64 119.73 3nr4 s THR 97 Ca 0.00 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3nr4 s THR 97 Cb -0.05 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3nr4 s THR 97 CO -0.00 0.56 -0.12 -1.61 -0.54 0.00 0.00 174.62 172.91 3nr4 s GLU 98 N -0.05 0.98 -0.08 3.99 2.02 -0.01 -1.04 118.70 124.52 3nr4 s GLU 98 Ca -0.05 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.56 3nr4 s GLU 98 Cb -0.14 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.13 3nr4 s GLU 98 CO 0.04 0.25 -0.21 0.50 0.02 0.00 0.00 175.26 175.87 3nr4 s ARG 99 N -0.26 2.78 -0.43 1.61 3.52 0.03 -0.76 118.95 125.43 3nr4 s ARG 99 Ca 0.04 -0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 54.53 3nr4 s ARG 99 Cb -0.05 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 3nr4 s ARG 99 CO -0.00 0.36 1.30 -1.17 -0.81 0.00 0.00 175.30 174.97 3nr4 s LEU 100 N -0.09 3.63 -0.15 -0.88 2.96 -0.37 -2.00 118.68 121.78 3nr4 s LEU 100 Ca -0.05 0.73 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 3nr4 s LEU 100 Cb -0.14 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 3nr4 s LEU 100 CO 0.04 -1.33 0.22 -0.62 -1.32 0.00 0.00 176.35 173.34 3nr4 n GLU 101 N 7.91 0.69 -3.69 1.98 -0.58 0.47 -0.42 120.64 127.01 3nr4 n GLU 101 Ca 0.15 0.19 -0.13 0.00 -0.42 0.00 0.00 57.16 56.94 3nr4 n GLU 101 Cb 0.48 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.54 -0.62 -0.01 -0.32 5.36 -0.97 -4.85 117.98 114.03 3nr4 s PHE 102 Ca -0.19 1.49 -0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3nr4 s PHE 102 Cb 0.07 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.99 3nr4 s PHE 102 CO 0.75 -0.30 0.01 0.08 -1.46 0.00 0.00 175.22 174.30 3nr4 s VAL 103 N 0.41 -0.02 -0.29 3.12 1.01 -1.26 -0.28 120.40 123.10 3nr4 s VAL 103 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3nr4 s VAL 103 Cb -0.04 -0.03 0.09 0.00 0.00 0.00 0.00 36.38 36.40 3nr4 s VAL 103 CO -0.01 0.02 0.08 -0.62 0.00 0.00 0.00 175.10 174.58 3nr4 s ASP 104 N 0.28 3.88 0.42 3.32 3.68 0.07 -5.00 116.67 123.33 3nr4 s ASP 104 Ca -0.02 -1.51 0.18 0.00 2.13 0.00 0.00 52.55 53.33 3nr4 s ASP 104 Cb -0.03 -0.85 0.93 0.00 -1.45 0.00 0.00 42.92 41.52 3nr4 s ASP 104 CO -0.01 -0.39 1.89 0.44 0.13 0.00 0.00 175.17 177.22 3nr4 h ASP 105 N 8.10 0.00 -0.01 -0.34 3.32 -1.97 0.58 116.42 126.10 3nr4 h ASP 105 Ca -0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3nr4 h ASP 105 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3nr4 h ASP 105 CO 0.45 0.29 -0.21 0.44 -1.72 0.00 0.00 179.24 178.49 3nr4 h ASP 106 N 0.00 0.20 0.47 6.45 3.32 -1.96 -3.25 116.42 121.65 3nr4 h ASP 106 Ca -0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 3nr4 h ASP 106 Cb 0.60 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3nr4 h ASP 106 CO 0.04 0.92 -0.10 1.41 -1.72 0.00 0.00 179.24 179.79 3nr4 n HIS 107 N -4.54 0.00 -3.24 4.55 8.25 -1.20 -4.96 115.22 114.08 3nr4 n HIS 107 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 3nr4 n HIS 107 Cb 0.47 -0.24 0.05 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.11 -1.93 -4.59 -0.41 1.74 0.11 -4.46 116.66 106.01 3nr4 n ARG 108 Ca 0.13 1.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.98 3nr4 n ARG 108 Cb 0.28 -5.66 -0.16 0.00 -1.02 0.00 0.00 32.46 25.90 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 -3.29 1.08 -0.02 1.55 1.01 -0.68 -0.91 120.40 119.15 3nr4 s VAL 109 Ca 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3nr4 s VAL 109 Cb -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3nr4 s VAL 109 CO 0.75 0.33 0.01 -0.22 0.00 0.00 0.00 175.10 175.96 3nr4 s LEU 110 N 0.19 1.42 -0.04 3.92 0.20 -0.01 -0.75 118.68 123.62 3nr4 s LEU 110 Ca -0.05 -0.00 0.05 0.00 0.69 0.00 0.00 54.13 54.82 3nr4 s LEU 110 Cb -0.11 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 3nr4 s LEU 110 CO 0.01 -0.07 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.38 3nr4 s SER 111 N 0.67 2.22 0.10 3.68 0.01 0.62 -0.43 113.70 120.57 3nr4 s SER 111 Ca -0.06 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 3nr4 s SER 111 Cb -0.09 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 3nr4 s SER 111 CO -0.02 0.18 0.02 0.72 0.41 0.00 0.00 173.24 174.55 3nr4 s PHE 112 N -0.10 0.72 0.01 2.43 -0.12 -0.90 -0.40 117.98 119.61 3nr4 s PHE 112 Ca -0.01 -1.17 -0.01 0.00 -0.05 0.00 0.00 56.93 55.69 3nr4 s PHE 112 Cb -0.10 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.83 3nr4 s PHE 112 CO 0.01 -0.46 0.01 -0.98 -0.05 0.00 0.00 175.22 173.75 3nr4 s ARG 113 N -3.99 0.26 -0.01 1.99 1.70 -0.85 -1.82 118.95 116.22 3nr4 s ARG 113 Ca 0.17 -0.40 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 3nr4 s ARG 113 Cb 0.08 0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3nr4 s ARG 113 CO -0.03 -0.05 1.25 0.08 -1.08 0.00 0.00 175.30 175.47 3nr4 s VAL 114 N -1.05 4.07 -0.24 4.99 1.01 -0.43 -0.79 120.40 127.95 3nr4 s VAL 114 Ca -0.11 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.22 3nr4 s VAL 114 Cb -0.07 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 3nr4 s VAL 114 CO -0.00 0.03 -0.15 1.33 0.00 0.00 0.00 175.10 176.30 3nr4 n VAL 115 N 4.45 1.55 -3.18 2.92 0.24 -0.20 -4.71 118.33 119.40 3nr4 n VAL 115 Ca 0.11 -0.44 0.02 0.00 -2.04 0.00 0.00 64.34 61.99 3nr4 n VAL 115 Cb 0.46 -1.72 -0.02 0.00 -1.47 0.00 0.00 33.84 31.09 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 -5.79 -0.94 0.49 7.63 0.00 -1.15 -5.02 107.32 102.54 3nr4 s GLY 116 Ca -0.34 1.65 0.18 0.00 0.00 0.00 0.00 44.72 46.21 3nr4 s GLY 116 CO 0.58 3.31 2.06 0.07 0.00 0.00 0.00 173.10 179.12 3nr4 h ARG 120 N 8.02 0.00 -6.00 2.90 -0.00 -2.06 -2.32 114.38 114.93 3nr4 h ARG 120 Ca -0.21 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.18 3nr4 h ARG 120 Cb 1.16 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 31.02 3nr4 h ARG 120 CO 0.25 0.12 0.69 -0.51 -0.00 0.00 0.00 179.97 180.52 3nr4 s LEU 121 N -8.48 3.93 0.17 0.08 1.02 -1.26 -4.68 118.68 109.45 3nr4 s LEU 121 Ca -0.04 -0.33 -0.00 0.00 0.02 0.00 0.00 54.13 53.77 3nr4 s LEU 121 Cb 0.16 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.49 3nr4 s LEU 121 CO 0.66 -1.35 0.35 -0.54 0.02 0.00 0.00 176.35 175.49 3nr4 s LYS 122 N 4.31 3.51 -1.43 1.70 -0.14 -1.26 -4.53 119.74 121.89 3nr4 s LYS 122 Ca 0.32 -0.38 -0.10 0.00 -1.36 0.00 0.00 55.97 54.45 3nr4 s LYS 122 Cb -0.12 -2.89 0.04 0.00 -1.68 0.00 0.00 37.83 33.19 3nr4 s LYS 122 CO 0.19 0.45 1.07 0.09 -0.76 0.00 0.00 175.35 176.40 3nr4 n ASN 123 N -0.46 -5.33 -4.75 2.83 3.02 -1.26 -1.58 115.26 107.72 3nr4 n ASN 123 Ca -0.05 -0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 53.43 3nr4 n ASN 123 Cb 0.53 -4.49 -0.02 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.33 3.09 0.01 3.10 5.04 -1.26 -4.39 117.35 119.61 3nr4 s TYR 124 Ca 0.58 1.18 -0.13 0.00 -2.44 0.00 0.00 57.07 56.26 3nr4 s TYR 124 Cb -0.27 -3.73 0.02 0.00 0.35 0.00 0.00 41.96 38.33 3nr4 s TYR 124 CO 0.78 -2.24 0.28 -1.59 -1.34 0.00 0.00 175.55 171.43 3nr4 s LYS 125 N -0.69 0.70 0.03 4.97 -2.85 -0.19 -1.31 119.74 120.39 3nr4 s LYS 125 Ca 0.56 -0.36 -0.15 0.00 -1.00 0.00 0.00 55.97 55.01 3nr4 s LYS 125 Cb -0.40 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 3nr4 s LYS 125 CO 0.45 -0.20 0.33 -1.54 0.10 0.00 0.00 175.35 174.48 3nr4 s SER 126 N -1.66 -0.18 -0.08 0.03 1.04 -0.76 -1.26 113.70 110.83 3nr4 s SER 126 Ca -0.10 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.30 3nr4 s SER 126 Cb -0.03 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 3nr4 s SER 126 CO 0.01 -0.59 -0.22 -0.69 0.98 0.00 0.00 173.24 172.72 3nr4 s VAL 127 N -2.26 1.88 -0.07 5.02 1.01 -0.40 -2.13 120.40 123.44 3nr4 s VAL 127 Ca -0.07 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3nr4 s VAL 127 Cb -0.02 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3nr4 s VAL 127 CO -0.01 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.50 3nr4 s THR 128 N 0.23 1.85 0.04 3.92 2.01 0.42 -1.56 115.64 122.55 3nr4 s THR 128 Ca -0.13 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3nr4 s THR 128 Cb -0.16 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3nr4 s THR 128 CO 0.06 0.52 -0.18 -0.94 -0.69 0.00 0.00 174.62 173.39 3nr4 s SER 129 N 0.12 2.15 -0.14 3.53 1.04 0.24 -0.83 113.70 119.81 3nr4 s SER 129 Ca -0.10 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3nr4 s SER 129 Cb -0.15 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3nr4 s SER 129 CO 0.05 0.12 -0.22 -0.69 0.98 0.00 0.00 173.24 173.49 3nr4 s VAL 130 N -0.77 2.06 -0.06 5.02 1.01 -0.09 -1.61 120.40 125.95 3nr4 s VAL 130 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3nr4 s VAL 130 Cb -0.08 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3nr4 s VAL 130 CO 0.01 0.55 -0.04 0.20 0.00 0.00 0.00 175.10 175.82 3nr4 s ASN 131 N 0.85 1.31 0.01 3.32 0.01 -0.64 -4.67 114.94 115.11 3nr4 s ASN 131 Ca -0.06 -0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 51.89 3nr4 s ASN 131 Cb -0.15 -0.51 -0.05 0.00 0.41 0.00 0.00 41.25 40.95 3nr4 s ASN 131 CO -0.03 -0.10 0.24 -0.70 -1.51 0.00 0.00 177.10 175.01 3nr4 s GLU 132 N 1.29 3.54 0.16 -0.60 2.12 -1.26 0.30 118.70 124.25 3nr4 s GLU 132 Ca -0.05 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.13 3nr4 s GLU 132 Cb -0.14 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3nr4 s GLU 132 CO -0.02 0.65 0.02 -0.06 -0.54 0.00 0.00 175.26 175.31 3nr4 s PHE 133 N -1.32 1.12 -0.06 5.30 0.08 0.30 -4.96 117.98 118.44 3nr4 s PHE 133 Ca 0.28 -1.08 0.05 0.00 0.12 0.00 0.00 56.93 56.30 3nr4 s PHE 133 Cb -0.13 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 3nr4 s PHE 133 CO 0.17 -0.30 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.62 3nr4 s LEU 134 N -3.14 2.37 -0.29 -0.37 2.96 -1.26 -1.45 118.68 117.50 3nr4 s LEU 134 Ca 0.24 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3nr4 s LEU 134 Cb 0.07 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3nr4 s LEU 134 CO 0.03 0.27 0.13 0.54 -1.32 0.00 0.00 176.35 176.00 3nr4 s ASN 135 N -0.29 5.48 -0.63 3.68 6.03 -0.43 -4.98 114.94 123.80 3nr4 s ASN 135 Ca 0.01 -0.38 -0.06 0.00 -1.03 0.00 0.00 52.86 51.40 3nr4 s ASN 135 Cb -0.13 -1.99 0.16 0.00 -3.03 0.00 0.00 41.25 36.26 3nr4 s ASN 135 CO 0.03 -0.13 0.47 -1.10 -2.03 0.00 0.00 177.10 174.34 3nr4 s GLN 136 N 1.63 2.71 0.00 3.55 1.11 -1.26 0.81 119.66 128.21 3nr4 s GLN 136 Ca 0.05 -2.35 0.00 0.00 0.01 0.00 0.00 55.36 53.07 3nr4 s GLN 136 Cb -0.16 -3.89 0.00 0.00 -1.01 0.00 0.00 33.01 27.95 3nr4 s GLN 136 CO 0.06 -1.19 0.00 0.45 0.01 0.00 0.00 175.29 174.62 3nr4 n SER 138 N 3.87 0.00 0.00 5.90 2.88 -1.26 -4.99 113.62 120.02 3nr4 n SER 138 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3nr4 n SER 138 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3nr4 n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3nr4 n GLY 139 N 0.00 0.67 3.90 0.46 0.00 0.24 -5.01 105.19 105.44 3nr4 n GLY 139 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.26 3.53 0.40 1.61 1.02 -1.21 -4.87 119.74 119.97 3nr4 s LYS 140 Ca 0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 3nr4 s LYS 140 Cb 0.00 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3nr4 s LYS 140 CO 0.00 0.59 0.66 0.14 -0.92 0.00 0.00 175.35 175.82 3nr4 s VAL 141 N -1.47 5.00 0.25 3.17 -7.23 -1.26 -1.31 120.40 117.55 3nr4 s VAL 141 Ca 0.34 -0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 60.30 3nr4 s VAL 141 Cb -0.13 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 32.96 3nr4 s VAL 141 CO 0.22 -0.67 0.46 -0.72 -0.31 0.00 0.00 175.10 174.08 3nr4 s TYR 142 N -2.49 0.46 0.07 2.82 1.13 -0.53 -4.38 117.35 114.44 3nr4 s TYR 142 Ca 0.44 -0.81 0.09 0.00 -1.41 0.00 0.00 57.07 55.38 3nr4 s TYR 142 Cb -0.10 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 3nr4 s TYR 142 CO 0.39 -0.98 -0.25 0.99 -2.51 0.00 0.00 175.55 173.19 3nr4 s THR 143 N -3.94 2.03 -0.19 -3.49 2.01 0.10 -0.54 115.64 111.62 3nr4 s THR 143 Ca 0.24 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 3nr4 s THR 143 Cb -0.00 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.75 3nr4 s THR 143 CO 0.10 0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.43 3nr4 s VAL 144 N -0.89 2.56 -0.18 3.82 1.01 0.15 -0.38 120.40 126.49 3nr4 s VAL 144 Ca 0.11 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3nr4 s VAL 144 Cb -0.10 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3nr4 s VAL 144 CO 0.03 0.50 0.25 -0.69 0.00 0.00 0.00 175.10 175.19 3nr4 s VAL 145 N 1.34 5.33 -0.16 2.92 1.01 0.31 -1.62 120.40 129.53 3nr4 s VAL 145 Ca 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 3nr4 s VAL 145 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3nr4 s VAL 145 CO -0.09 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.56 3nr4 s LEU 146 N 0.52 2.95 -0.17 3.92 1.43 -0.64 -0.69 118.68 126.00 3nr4 s LEU 146 Ca 0.14 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3nr4 s LEU 146 Cb -0.13 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.42 3nr4 s LEU 146 CO 0.03 0.13 -0.13 -0.70 0.23 0.00 0.00 176.35 175.91 3nr4 s GLU 147 N 0.58 2.24 -0.01 1.70 2.12 0.03 -0.59 118.70 124.77 3nr4 s GLU 147 Ca -0.05 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.61 3nr4 s GLU 147 Cb -0.15 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 3nr4 s GLU 147 CO 0.03 -0.31 -0.04 -1.54 -0.54 0.00 0.00 175.26 172.86 3nr4 s SER 148 N 1.44 4.84 0.09 -1.70 1.04 -0.60 0.39 113.70 119.19 3nr4 s SER 148 Ca 0.03 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.40 3nr4 s SER 148 Cb -0.14 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 3nr4 s SER 148 CO -0.10 0.30 -0.06 -0.72 0.98 0.00 0.00 173.24 173.64 3nr4 s TYR 149 N -1.00 0.82 -0.01 5.02 1.13 -0.36 -1.28 117.35 121.68 3nr4 s TYR 149 Ca 0.17 -0.93 0.02 0.00 -1.41 0.00 0.00 57.07 54.92 3nr4 s TYR 149 Cb -0.11 -0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 40.25 3nr4 s TYR 149 CO 0.07 -0.18 -0.06 0.99 -2.51 0.00 0.00 175.55 173.85 3nr4 s THR 150 N -3.60 0.53 -0.03 -3.49 2.01 -0.39 -2.33 115.64 108.35 3nr4 s THR 150 Ca 0.10 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 3nr4 s THR 150 Cb 0.05 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.14 3nr4 s THR 150 CO -0.05 0.16 0.47 0.54 -0.69 0.00 0.00 174.62 175.04 3nr4 s VAL 151 N -0.01 0.03 0.23 3.82 0.11 -0.76 -1.03 120.40 122.79 3nr4 s VAL 151 Ca 0.01 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.48 3nr4 s VAL 151 Cb -0.04 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.94 3nr4 s VAL 151 CO -0.00 -0.15 1.18 -1.81 -3.33 0.00 0.00 175.10 170.99 3nr4 s ASP 152 N -1.30 7.10 -0.23 3.54 1.01 -0.62 -0.53 116.67 125.64 3nr4 s ASP 152 Ca -0.12 2.31 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 3nr4 s ASP 152 Cb -0.03 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3nr4 s ASP 152 CO 0.06 -0.33 1.16 -0.63 0.21 0.00 0.00 175.17 175.65 3nr4 s ILE 153 N -0.52 4.44 0.46 0.77 1.01 -0.58 -4.26 121.20 122.51 3nr4 s ILE 153 Ca 0.50 1.71 -0.23 0.00 0.00 0.00 0.00 60.65 62.63 3nr4 s ILE 153 Cb -0.33 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 37.86 3nr4 s ILE 153 CO 0.40 -0.26 1.20 -2.84 0.00 0.00 0.00 174.94 173.44 3nr4 s PRO 154 N 3.52 3.73 0.02 2.79 0.02 -1.26 -4.94 135.00 138.88 3nr4 s PRO 154 Ca 0.50 1.87 -0.32 0.00 0.02 0.00 0.00 61.00 63.07 3nr4 s PRO 154 Cb -0.17 -2.45 -0.11 0.00 0.02 0.00 0.00 34.50 31.79 3nr4 s PRO 154 CO 0.13 -0.60 1.90 0.39 -0.33 0.00 0.00 177.00 178.48 3nr4 n GLU 155 N -0.43 2.59 0.00 5.54 -0.58 -1.26 -1.57 120.64 124.93 3nr4 n GLU 155 Ca 0.07 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 3nr4 n GLU 155 Cb 0.47 -2.85 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 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 4.38 2.21 3.83 0.62 0.00 -1.26 -5.08 105.19 109.89 3nr4 n GLY 156 Ca 0.20 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 0.07 5.96 0.20 1.61 -0.87 -0.61 -5.08 114.94 116.21 3nr4 s ASN 157 Ca 0.00 1.63 0.01 0.00 -1.57 0.00 0.00 52.86 52.93 3nr4 s ASN 157 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 3nr4 s ASN 157 CO 0.00 -1.05 0.36 0.42 -2.57 0.00 0.00 177.10 174.26 3nr4 s THR 158 N -2.80 5.25 0.22 1.60 -4.23 -1.26 -4.83 115.64 109.59 3nr4 s THR 158 Ca 0.59 -0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 3nr4 s THR 158 Cb -0.13 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.12 3nr4 s THR 158 CO 0.44 -0.19 1.85 -0.08 -0.54 0.00 0.00 174.62 176.10 3nr4 h GLU 159 N 1.87 0.87 -0.72 3.99 4.81 -1.97 -1.75 114.58 121.68 3nr4 h GLU 159 Ca -0.49 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 3nr4 h GLU 159 Cb 1.20 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3nr4 h GLU 159 CO 0.67 0.58 0.25 1.49 -0.73 0.00 0.00 179.01 181.27 3nr4 h GLU 160 N 0.90 1.10 -0.04 1.92 4.81 -1.99 -0.38 114.58 120.89 3nr4 h GLU 160 Ca 0.31 -0.21 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 3nr4 h GLU 160 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3nr4 h GLU 160 CO -0.13 0.91 -0.86 -0.44 -0.73 0.00 0.00 179.01 177.76 3nr4 h ASP 161 N 1.06 0.60 -0.40 1.04 3.32 -1.92 -1.86 116.42 118.25 3nr4 h ASP 161 Ca 0.24 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 3nr4 h ASP 161 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3nr4 h ASP 161 CO -0.01 1.22 0.00 0.74 -1.72 0.00 0.00 179.24 179.47 3nr4 h THR 162 N 0.30 1.26 -0.76 0.35 2.02 -1.13 -2.03 112.91 112.92 3nr4 h THR 162 Ca -0.06 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 3nr4 h THR 162 Cb 1.48 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3nr4 h THR 162 CO 0.15 0.34 0.27 0.50 0.37 0.00 0.00 175.52 177.15 3nr4 h LYS 163 N 0.54 1.15 -0.30 6.66 3.64 -1.08 -1.46 116.57 125.72 3nr4 h LYS 163 Ca 0.11 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3nr4 h LYS 163 Cb 0.47 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3nr4 h LYS 163 CO 0.02 0.96 0.10 1.98 -2.27 0.00 0.00 179.45 180.24 3nr4 h MET 164 N 1.11 0.47 0.48 1.90 4.05 -1.21 -0.02 114.93 121.71 3nr4 h MET 164 Ca 0.25 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3nr4 h MET 164 Cb 0.26 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3nr4 h MET 164 CO -0.01 0.51 -0.23 0.35 0.23 0.00 0.00 176.91 177.75 3nr4 h PHE 165 N 0.34 -0.60 -0.54 1.39 3.57 -1.15 -2.06 116.94 117.89 3nr4 h PHE 165 Ca 0.10 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 3nr4 h PHE 165 Cb 0.23 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3nr4 h PHE 165 CO 0.00 -0.37 -0.10 0.28 -2.23 0.00 0.00 178.31 175.89 3nr4 h VAL 166 N -0.65 1.27 -0.92 1.41 2.07 -1.27 -2.00 116.25 116.16 3nr4 h VAL 166 Ca -0.07 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.30 3nr4 h VAL 166 Cb 0.50 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3nr4 h VAL 166 CO 0.11 0.44 0.59 0.44 0.02 0.00 0.00 177.57 179.17 3nr4 h ASP 167 N 0.90 0.86 -0.09 0.57 5.19 -0.97 -1.33 116.42 121.56 3nr4 h ASP 167 Ca 0.14 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 3nr4 h ASP 167 Cb 0.66 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 3nr4 h ASP 167 CO 0.05 0.52 -0.04 0.74 -3.12 0.00 0.00 179.24 177.39 3nr4 h THR 168 N 0.96 1.32 -0.13 0.35 2.02 -0.66 -2.02 112.91 114.73 3nr4 h THR 168 Ca 0.42 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3nr4 h THR 168 Cb 0.35 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3nr4 h THR 168 CO -0.18 0.29 0.08 0.58 0.37 0.00 0.00 175.52 176.65 3nr4 h VAL 169 N -0.18 1.09 -0.58 3.16 2.07 -1.14 -1.75 116.25 118.91 3nr4 h VAL 169 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3nr4 h VAL 169 Cb 0.47 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3nr4 h VAL 169 CO 0.01 0.08 0.38 0.58 0.02 0.00 0.00 177.57 178.64 3nr4 h VAL 170 N 0.13 1.15 -0.64 2.57 2.07 -1.27 -1.21 116.25 119.05 3nr4 h VAL 170 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3nr4 h VAL 170 Cb 0.06 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3nr4 h VAL 170 CO -0.01 0.15 0.33 0.50 0.02 0.00 0.00 177.57 178.56 3nr4 h LYS 171 N 0.78 0.91 -0.37 1.57 1.63 -1.28 -1.57 116.57 118.24 3nr4 h LYS 171 Ca 0.21 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3nr4 h LYS 171 Cb -0.08 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.36 3nr4 h LYS 171 CO -0.04 0.71 0.08 -0.07 -3.45 0.00 0.00 179.45 176.67 3nr4 h LEU 172 N 0.88 0.51 -0.35 5.20 3.38 -0.92 -1.25 115.31 122.75 3nr4 h LEU 172 Ca 0.22 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3nr4 h LEU 172 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3nr4 h LEU 172 CO -0.03 0.52 0.07 0.78 0.09 0.00 0.00 178.44 179.87 3nr4 h ASN 173 N 0.54 0.55 0.15 -0.43 2.35 -0.73 -1.92 115.58 116.08 3nr4 h ASN 173 Ca 0.12 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3nr4 h ASN 173 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3nr4 h ASN 173 CO -0.00 0.65 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.07 3nr4 h LEU 174 N 0.42 0.23 -0.76 1.61 3.38 -0.82 0.73 115.31 120.11 3nr4 h LEU 174 Ca 0.11 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3nr4 h LEU 174 Cb 0.33 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3nr4 h LEU 174 CO 0.00 0.53 -0.18 1.56 0.09 0.00 0.00 178.44 180.45 3nr4 h GLN 175 N 0.21 0.76 -0.40 1.13 4.20 -1.13 -0.53 115.11 119.36 3nr4 h GLN 175 Ca 0.03 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 3nr4 h GLN 175 Cb 0.63 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3nr4 h GLN 175 CO 0.05 0.88 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.70 3nr4 h LYS 176 N 0.67 0.81 -0.48 1.46 3.64 -0.78 -1.47 116.57 120.43 3nr4 h LYS 176 Ca 0.10 -0.34 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3nr4 h LYS 176 Cb 0.67 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 3nr4 h LYS 176 CO 0.05 0.97 -0.08 1.25 -2.27 0.00 0.00 179.45 179.37 3nr4 h LEU 177 N 0.62 -0.37 -0.55 5.20 5.85 -0.81 -1.89 115.31 123.36 3nr4 h LEU 177 Ca 0.09 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3nr4 h LEU 177 Cb 0.71 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3nr4 h LEU 177 CO 0.05 -0.13 0.29 1.23 -0.34 0.00 0.00 178.44 179.54 3nr4 h GLY 178 N 0.03 0.78 1.09 3.75 0.00 -0.64 -1.78 103.07 106.32 3nr4 h GLY 178 Ca 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3nr4 h GLY 178 CO -0.46 0.14 0.37 -0.39 0.00 0.00 0.00 176.54 176.19 3nr4 h VAL 179 N 0.56 1.25 -0.14 4.60 -1.51 -0.99 -1.21 116.25 118.82 3nr4 h VAL 179 Ca 0.24 -0.73 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3nr4 h VAL 179 Cb 0.13 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 29.52 3nr4 h VAL 179 CO -0.16 0.31 0.08 0.00 -1.23 0.00 0.00 177.57 176.57 3nr4 h ALA 180 N 1.25 0.18 -0.09 5.19 0.00 -1.00 -0.81 119.26 123.99 3nr4 h ALA 180 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3nr4 h ALA 180 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3nr4 h ALA 180 CO -0.03 -0.29 -0.37 0.00 0.00 0.00 0.00 179.25 178.56 3nr4 h ALA 181 N 0.98 1.22 0.00 0.00 0.00 -1.17 -1.28 119.26 119.01 3nr4 h ALA 181 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3nr4 h ALA 181 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3nr4 h ALA 181 CO -0.01 0.54 -1.08 0.25 0.00 0.00 0.00 179.25 178.95 3nr4 n THR 182 N -4.07 0.43 0.00 0.00 -2.24 -0.47 -4.74 114.28 103.20 3nr4 n THR 182 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3nr4 n THR 182 Cb 0.44 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.42 0.09 -4.88 3.42 3.41 -0.32 -5.08 113.62 107.85 3nr4 n SER 183 Ca 0.00 -0.03 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 3nr4 n SER 183 Cb 0.52 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.09 3.84 0.48 7.33 0.00 -0.49 -5.03 121.76 127.81 3nr4 s ALA 184 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 3nr4 s ALA 184 Cb 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 23.12 21.38 3nr4 s ALA 184 CO 0.00 0.70 1.25 -2.30 0.00 0.00 0.00 175.76 175.41 3nr4 n PRO 185 N 0.05 1.72 -1.71 0.00 -0.02 -1.26 -4.78 135.00 128.99 3nr4 n PRO 185 Ca -0.07 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 3nr4 n PRO 185 Cb 0.52 -2.40 0.04 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.47 2.97 0.00 -0.52 -1.94 -1.26 -5.07 119.30 111.01 3nr4 s MET 186 Ca 0.66 1.10 0.32 0.00 -1.71 0.00 0.00 55.69 56.06 3nr4 s MET 186 Cb -0.47 -1.99 1.80 0.00 2.01 0.00 0.00 34.83 36.18 3nr4 s MET 186 CO 0.54 -1.08 2.17 -2.39 -0.01 0.00 0.00 175.02 174.25