#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr9 s GLN 3 N 0.00 0.77 0.24 2.98 -0.21 -1.26 -5.05 119.66 117.14 1nr9 s GLN 3 Ca 0.00 -0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 1nr9 s GLN 3 Cb 0.00 0.35 -0.09 0.00 1.00 0.00 0.00 33.01 34.27 1nr9 s GLN 3 CO 0.00 -0.22 1.22 -1.01 -2.12 0.00 0.00 175.29 173.15 1nr9 s HIS 4 N -1.31 3.36 0.13 0.91 3.76 -1.26 -4.99 115.29 115.88 1nr9 s HIS 4 Ca -0.13 1.46 -0.06 0.00 -0.15 0.00 0.00 55.06 56.18 1nr9 s HIS 4 Cb -0.04 -3.48 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 1nr9 s HIS 4 CO 0.06 -1.30 0.17 -3.38 -0.85 0.00 0.00 174.74 169.44 1nr9 s HIS 5 N -0.55 0.47 0.76 1.40 -3.43 -1.26 -1.19 115.29 111.49 1nr9 s HIS 5 Ca 0.50 -0.87 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 1nr9 s HIS 5 Cb -0.35 -0.20 0.13 0.00 -1.43 0.00 0.00 32.58 30.73 1nr9 s HIS 5 CO 0.42 -0.59 1.05 0.54 -2.00 0.00 0.00 174.74 174.15 1nr9 s ASN 6 N -2.96 4.21 0.14 7.38 4.22 0.20 -0.16 114.94 127.97 1nr9 s ASN 6 Ca 0.15 -0.08 -0.21 0.00 -2.14 0.00 0.00 52.86 50.58 1nr9 s ASN 6 Cb 0.05 -0.30 -0.00 0.00 1.28 0.00 0.00 41.25 42.28 1nr9 s ASN 6 CO -0.03 -1.96 1.67 -0.25 -2.04 0.00 0.00 177.10 174.49 1nr9 h TRP 7 N -0.74 -0.30 -1.03 1.54 2.91 -1.64 -0.27 115.95 116.43 1nr9 h TRP 7 Ca -0.40 0.02 0.26 0.00 1.13 0.00 0.00 58.89 59.90 1nr9 h TRP 7 Cb 1.27 0.16 -0.09 0.00 -0.51 0.00 0.00 29.16 29.99 1nr9 h TRP 7 CO -0.29 -0.18 0.66 0.37 -1.03 0.00 0.00 178.44 177.97 1nr9 h GLN 8 N -0.12 0.41 0.00 2.65 4.15 -1.94 -3.46 115.11 116.81 1nr9 h GLN 8 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nr9 h GLN 8 Cb 0.28 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1nr9 h GLN 8 CO -0.26 0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 1nr9 n GLY 9 N -1.46 1.10 3.75 2.39 0.00 -0.11 -5.12 105.19 105.74 1nr9 n GLY 9 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1nr9 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr9 s ALA 10 N -1.73 2.33 0.02 4.61 0.00 -1.26 -4.61 121.76 121.12 1nr9 s ALA 10 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 1nr9 s ALA 10 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1nr9 s ALA 10 CO 0.00 -1.50 0.94 -0.51 0.00 0.00 0.00 175.76 174.69 1nr9 s LEU 11 N -4.84 4.39 0.24 0.00 1.43 -1.26 -0.63 118.68 118.01 1nr9 s LEU 11 Ca 0.72 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1nr9 s LEU 11 Cb -0.26 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 1nr9 s LEU 11 CO 0.41 -0.20 0.56 -0.76 0.23 0.00 0.00 176.35 176.60 1nr9 s LEU 12 N 0.75 4.16 -0.03 1.79 1.43 -0.33 -4.91 118.68 121.55 1nr9 s LEU 12 Ca 0.49 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1nr9 s LEU 12 Cb -0.21 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.32 1nr9 s LEU 12 CO 0.27 -0.08 1.74 -0.67 0.23 0.00 0.00 176.35 177.84 1nr9 n ASP 13 N -0.14 4.80 -4.27 2.29 -0.08 -1.26 -4.78 116.55 113.12 1nr9 n ASP 13 Ca 0.01 -2.36 -0.31 0.00 -1.51 0.00 0.00 54.79 50.62 1nr9 n ASP 13 Cb 0.52 -0.96 -0.16 0.00 2.34 0.00 0.00 41.12 42.86 1nr9 n ASP 13 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1nr9 s TYR 14 N -0.16 2.37 1.24 -0.67 1.51 -1.26 -5.04 117.35 115.34 1nr9 s TYR 14 Ca 0.03 -0.66 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 1nr9 s TYR 14 Cb 0.02 -1.55 0.30 0.00 -0.11 0.00 0.00 41.96 40.62 1nr9 s TYR 14 CO 0.00 -0.18 1.06 -2.14 -1.11 0.00 0.00 175.55 173.18 1nr9 s PRO 15 N -0.23 -1.48 -0.04 -1.71 0.02 -1.26 -4.61 135.00 125.69 1nr9 s PRO 15 Ca -0.01 0.06 0.05 0.00 0.02 0.00 0.00 61.00 61.11 1nr9 s PRO 15 Cb -0.13 -1.55 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 1nr9 s PRO 15 CO 0.03 -3.91 -0.18 0.08 -0.33 0.00 0.00 177.00 172.69 1nr9 s VAL 16 N -2.82 1.51 0.03 3.83 1.01 -1.26 -4.13 120.40 118.57 1nr9 s VAL 16 Ca 0.70 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1nr9 s VAL 16 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1nr9 s VAL 16 CO 0.57 0.43 0.00 -0.24 0.00 0.00 0.00 175.10 175.86 1nr9 n SER 17 N 3.03 -0.15 -3.59 3.32 2.88 -1.26 -4.99 113.62 112.85 1nr9 n SER 17 Ca -0.17 0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 57.21 1nr9 n SER 17 Cb 0.53 0.31 -0.08 0.00 -0.75 0.00 0.00 64.21 64.22 1nr9 n SER 17 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1nr9 s LYS 18 N -1.09 1.81 -0.17 -1.46 -2.85 -1.26 -2.17 119.74 112.55 1nr9 s LYS 18 Ca 0.00 -2.07 -0.04 0.00 -1.00 0.00 0.00 55.97 52.86 1nr9 s LYS 18 Cb 0.00 0.05 0.07 0.00 -2.06 0.00 0.00 37.83 35.89 1nr9 s LYS 18 CO 0.00 -0.60 0.18 0.08 0.10 0.00 0.00 175.35 175.10 1nr9 s VAL 19 N -3.38 -0.25 -0.15 1.79 1.01 -0.75 -2.01 120.40 116.66 1nr9 s VAL 19 Ca 0.35 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1nr9 s VAL 19 Cb 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1nr9 s VAL 19 CO 0.23 -0.15 0.28 -0.69 0.00 0.00 0.00 175.10 174.78 1nr9 s VAL 20 N 2.27 5.31 0.16 2.92 1.01 -0.64 -0.70 120.40 130.72 1nr9 s VAL 20 Ca 0.05 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1nr9 s VAL 20 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1nr9 s VAL 20 CO -0.10 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.32 1nr9 s VAL 22 N -3.36 5.25 0.00 0.00 1.01 -1.11 -2.81 120.40 119.38 1nr9 s VAL 22 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1nr9 s VAL 22 Cb 0.03 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1nr9 s VAL 22 CO 0.01 -0.03 0.03 0.61 0.00 0.00 0.00 175.10 175.72 1nr9 n GLY 23 N -0.22 1.25 3.63 4.51 0.00 -0.86 -4.78 105.19 108.70 1nr9 n GLY 23 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1nr9 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nr9 s SER 24 N -1.13 5.09 0.00 1.61 0.15 -1.26 -4.72 113.70 113.45 1nr9 s SER 24 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1nr9 s SER 24 Cb 0.00 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1nr9 s SER 24 CO 0.00 0.32 0.61 -3.20 1.20 0.00 0.00 173.24 172.17 1nr9 n ASN 25 N 2.56 0.00 -4.19 5.45 5.15 -1.26 -4.79 115.26 118.18 1nr9 n ASN 25 Ca -0.18 -1.24 -0.17 0.00 -0.60 0.00 0.00 54.58 52.39 1nr9 n ASN 25 Cb 0.53 -0.05 -0.11 0.00 -0.53 0.00 0.00 39.78 39.62 1nr9 n ASN 25 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1nr9 s TYR 26 N 0.00 1.20 0.00 1.20 2.02 -1.26 -0.27 117.35 120.25 1nr9 s TYR 26 Ca 0.00 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1nr9 s TYR 26 Cb 0.00 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 1nr9 s TYR 26 CO 0.00 0.06 0.00 0.00 -1.57 0.00 0.00 175.55 174.04 1nr9 n ALA 27 N 0.93 0.00 -0.42 3.71 0.00 -1.15 -4.96 120.51 118.63 1nr9 n ALA 27 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1nr9 n ALA 27 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1nr9 n ALA 27 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1nr9 n VAL 37 N 0.00 0.00 -3.35 0.00 0.24 -1.26 -4.96 118.33 109.00 1nr9 n VAL 37 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 1nr9 n VAL 37 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1nr9 n VAL 37 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1nr9 s PRO 38 N -0.54 4.24 0.39 7.34 0.04 -1.26 -5.02 135.00 140.19 1nr9 s PRO 38 Ca 0.00 0.47 -0.23 0.00 0.04 0.00 0.00 61.00 61.29 1nr9 s PRO 38 Cb 0.00 -3.37 -0.14 0.00 0.04 0.00 0.00 34.50 31.03 1nr9 s PRO 38 CO 0.00 0.32 0.39 -1.91 0.04 0.00 0.00 177.00 175.84 1nr9 n GLU 39 N 3.07 0.33 -0.89 4.56 2.13 -1.26 -4.86 120.64 123.71 1nr9 n GLU 39 Ca -0.09 0.12 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 1nr9 n GLU 39 Cb 0.52 -1.28 0.16 0.00 0.27 0.00 0.00 31.44 31.10 1nr9 n GLU 39 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1nr9 s GLU 40 N -1.32 0.98 0.34 5.31 -1.05 -1.26 -4.93 118.70 116.77 1nr9 s GLU 40 Ca 0.62 1.20 -0.28 0.00 -0.15 0.00 0.00 54.97 56.35 1nr9 s GLU 40 Cb -0.65 -1.75 -0.12 0.00 -0.44 0.00 0.00 34.13 31.17 1nr9 s GLU 40 CO 0.60 -2.54 1.27 -2.30 0.95 0.00 0.00 175.26 173.24 1nr9 n PRO 41 N -4.14 2.08 -3.02 -4.83 -0.02 -1.26 -4.97 135.00 118.85 1nr9 n PRO 41 Ca 0.09 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 1nr9 n PRO 41 Cb 0.53 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1nr9 n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nr9 s VAL 42 N -1.08 5.02 -0.07 -1.45 1.01 -1.26 -5.00 120.40 117.57 1nr9 s VAL 42 Ca 0.56 1.47 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1nr9 s VAL 42 Cb -0.58 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1nr9 s VAL 42 CO 0.62 0.21 -0.17 -0.76 0.00 0.00 0.00 175.10 175.00 1nr9 s LEU 43 N 1.05 1.86 0.22 3.92 1.43 -1.26 -2.04 118.68 123.87 1nr9 s LEU 43 Ca 0.38 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1nr9 s LEU 43 Cb -0.18 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1nr9 s LEU 43 CO 0.17 0.11 0.10 0.72 0.23 0.00 0.00 176.35 177.68 1nr9 s PHE 44 N 0.37 1.33 0.00 0.29 -0.12 -1.13 -5.01 117.98 113.72 1nr9 s PHE 44 Ca -0.13 -1.24 0.01 0.00 -0.05 0.00 0.00 56.93 55.52 1nr9 s PHE 44 Cb -0.15 -0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 41.50 1nr9 s PHE 44 CO 0.05 -0.45 -0.04 0.42 -0.05 0.00 0.00 175.22 175.15 1nr9 s ILE 45 N -3.91 0.32 -0.13 -4.49 1.01 -1.26 -1.24 121.20 111.49 1nr9 s ILE 45 Ca 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1nr9 s ILE 45 Cb 0.07 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1nr9 s ILE 45 CO 0.11 0.00 0.01 -0.54 0.00 0.00 0.00 174.94 174.53 1nr9 s LYS 46 N -0.32 3.47 0.78 2.79 1.02 0.12 -4.74 119.74 122.86 1nr9 s LYS 46 Ca -0.01 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 1nr9 s LYS 46 Cb -0.03 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1nr9 s LYS 46 CO -0.00 0.45 1.13 -1.25 -0.92 0.00 0.00 175.35 174.76 1nr9 s PRO 47 N -0.18 2.24 0.44 -1.68 0.04 -1.26 -1.81 135.00 132.80 1nr9 s PRO 47 Ca 0.05 0.36 0.22 0.00 0.04 0.00 0.00 61.00 61.68 1nr9 s PRO 47 Cb -0.12 -1.96 1.20 0.00 0.04 0.00 0.00 34.50 33.66 1nr9 s PRO 47 CO 0.02 -1.45 1.82 1.49 0.04 0.00 0.00 177.00 178.92 1nr9 h GLU 48 N -0.96 0.29 0.00 4.56 4.81 -1.81 0.64 114.58 122.11 1nr9 h GLU 48 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1nr9 h GLU 48 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1nr9 h GLU 48 CO 0.63 0.19 0.00 0.25 -0.73 0.00 0.00 179.01 179.36 1nr9 n THR 49 N -4.48 0.03 0.54 0.32 -2.24 -1.26 -1.89 114.28 105.29 1nr9 n THR 49 Ca 0.22 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1nr9 n THR 49 Cb 0.87 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 1nr9 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr9 n ALA 50 N -1.01 3.66 -2.57 6.98 0.00 0.22 -2.16 120.51 125.63 1nr9 n ALA 50 Ca 0.11 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1nr9 n ALA 50 Cb 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1nr9 n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nr9 s LEU 51 N -3.81 4.35 0.18 0.00 1.43 -0.79 -0.09 118.68 119.95 1nr9 s LEU 51 Ca 0.02 1.81 -0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1nr9 s LEU 51 Cb 0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1nr9 s LEU 51 CO 0.85 -0.38 0.25 0.00 0.23 0.00 0.00 176.35 177.29 1nr9 s ASP 53 N -3.03 6.89 0.22 0.00 2.15 -1.26 -0.91 116.67 120.72 1nr9 s ASP 53 Ca 0.24 1.06 0.24 0.00 0.43 0.00 0.00 52.55 54.51 1nr9 s ASP 53 Cb 0.04 -2.48 0.92 0.00 -0.30 0.00 0.00 42.92 41.10 1nr9 s ASP 53 CO 0.05 -0.65 1.72 -0.11 -0.17 0.00 0.00 175.17 176.01 1nr9 n LEU 54 N 6.30 0.64 0.24 -1.34 7.94 -0.21 -2.24 117.00 128.33 1nr9 n LEU 54 Ca 0.08 0.62 0.14 0.00 -1.11 0.00 0.00 56.01 55.74 1nr9 n LEU 54 Cb 0.47 -0.50 0.45 0.00 0.53 0.00 0.00 43.42 44.37 1nr9 n LEU 54 CO 0.52 -0.41 0.88 0.03 -1.11 0.00 0.00 177.39 177.29 1nr9 h ARG 55 N 0.00 0.00 -6.58 1.96 3.08 -1.91 -3.44 114.38 107.49 1nr9 h ARG 55 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1nr9 h ARG 55 Cb 0.46 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.53 1nr9 h ARG 55 CO 0.00 0.07 -0.16 -0.65 -1.07 0.00 0.00 179.97 178.16 1nr9 s GLN 56 N -3.48 3.28 0.26 0.04 -0.21 -0.95 -4.86 119.66 113.74 1nr9 s GLN 56 Ca 0.03 -0.44 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 1nr9 s GLN 56 Cb 0.08 -2.63 -0.11 0.00 1.00 0.00 0.00 33.01 31.35 1nr9 s GLN 56 CO 0.61 -0.04 1.60 -1.25 -2.12 0.00 0.00 175.29 174.09 1nr9 s PRO 57 N -4.41 4.15 0.26 2.91 0.04 -1.26 -4.66 135.00 132.03 1nr9 s PRO 57 Ca 0.44 2.53 -0.28 0.00 0.04 0.00 0.00 61.00 63.73 1nr9 s PRO 57 Cb -0.10 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 1nr9 s PRO 57 CO 0.36 -0.63 0.92 -0.51 0.04 0.00 0.00 177.00 177.19 1nr9 s LEU 58 N -0.01 4.53 -0.16 -3.56 1.43 0.92 -4.84 118.68 117.00 1nr9 s LEU 58 Ca 0.66 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1nr9 s LEU 58 Cb -0.47 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 1nr9 s LEU 58 CO 0.43 0.08 -0.12 0.00 0.23 0.00 0.00 176.35 176.97 1nr9 s ALA 59 N -1.35 2.64 0.16 4.21 0.00 -1.26 -1.00 121.76 125.16 1nr9 s ALA 59 Ca 0.44 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1nr9 s ALA 59 Cb -0.23 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1nr9 s ALA 59 CO 0.28 0.02 -0.20 0.96 0.00 0.00 0.00 175.76 176.82 1nr9 s ILE 60 N 0.73 1.92 0.45 0.00 -4.36 -1.26 -4.86 121.20 113.81 1nr9 s ILE 60 Ca -0.05 -1.89 -0.23 0.00 -0.26 0.00 0.00 60.65 58.22 1nr9 s ILE 60 Cb -0.15 -1.87 -0.08 0.00 1.25 0.00 0.00 42.46 41.61 1nr9 s ILE 60 CO 0.02 -0.24 1.12 -2.84 0.24 0.00 0.00 174.94 173.24 1nr9 s PRO 61 N -2.65 3.86 0.00 0.37 0.02 -1.26 -4.94 135.00 130.40 1nr9 s PRO 61 Ca 0.16 1.65 0.02 0.00 0.02 0.00 0.00 61.00 62.85 1nr9 s PRO 61 Cb -0.07 -2.40 0.02 0.00 0.02 0.00 0.00 34.50 32.07 1nr9 s PRO 61 CO 0.07 -0.43 0.58 -1.13 -0.33 0.00 0.00 177.00 175.76 1nr9 n SER 62 N -0.44 1.21 -0.85 2.53 3.41 -1.26 -4.66 113.62 113.56 1nr9 n SER 62 Ca 0.07 -1.12 0.01 0.00 -0.26 0.00 0.00 58.87 57.57 1nr9 n SER 62 Cb 0.49 -0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.64 1nr9 n SER 62 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nr9 n ASP 63 N 0.10 2.08 -0.37 4.04 8.00 -1.26 -4.62 116.55 124.52 1nr9 n ASP 63 Ca 0.01 -3.87 0.01 0.00 0.71 0.00 0.00 54.79 51.66 1nr9 n ASP 63 Cb 0.06 -0.57 0.01 0.00 -0.02 0.00 0.00 41.12 40.61 1nr9 n ASP 63 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nr9 n PHE 64 N -1.11 0.00 -1.56 1.24 0.99 -1.26 -5.14 117.46 110.61 1nr9 n PHE 64 Ca 0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1nr9 n PHE 64 Cb 0.82 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.25 1nr9 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr9 n GLY 65 N -0.16 -1.79 3.66 1.37 0.00 -1.26 -4.47 105.19 102.54 1nr9 n GLY 65 Ca 0.02 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1nr9 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nr9 n SER 66 N 0.14 1.05 -3.79 1.61 2.88 -1.26 -4.90 113.62 109.34 1nr9 n SER 66 Ca 0.00 0.71 -0.28 0.00 -1.33 0.00 0.00 58.87 57.97 1nr9 n SER 66 Cb 0.00 -1.46 -0.16 0.00 -0.75 0.00 0.00 64.21 61.83 1nr9 n SER 66 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nr9 s VAL 67 N -1.72 0.77 0.28 2.46 1.01 -1.26 -3.44 120.40 118.51 1nr9 s VAL 67 Ca 0.76 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1nr9 s VAL 67 Cb -0.35 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1nr9 s VAL 67 CO 0.47 -0.19 0.44 -1.00 0.00 0.00 0.00 175.10 174.83 1nr9 s HIS 68 N 1.74 3.47 0.02 5.22 3.76 0.62 -0.95 115.29 129.19 1nr9 s HIS 68 Ca -0.02 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1nr9 s HIS 68 Cb -0.18 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1nr9 s HIS 68 CO -0.07 0.30 -0.05 -3.38 -0.85 0.00 0.00 174.74 170.69 1nr9 s HIS 69 N -2.12 2.92 -0.21 1.40 -3.43 -0.55 -1.97 115.29 111.34 1nr9 s HIS 69 Ca 0.37 -0.03 -0.05 0.00 -0.80 0.00 0.00 55.06 54.55 1nr9 s HIS 69 Cb -0.09 -1.59 0.08 0.00 -1.43 0.00 0.00 32.58 29.54 1nr9 s HIS 69 CO 0.32 0.41 0.12 -1.21 -2.00 0.00 0.00 174.74 172.38 1nr9 s GLU 70 N -1.65 0.11 0.13 -0.38 2.02 -1.23 -4.00 118.70 113.71 1nr9 s GLU 70 Ca 0.19 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 1nr9 s GLU 70 Cb -0.11 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.49 1nr9 s GLU 70 CO 0.10 -0.76 0.94 0.54 0.02 0.00 0.00 175.26 176.10 1nr9 s VAL 71 N 2.16 4.42 0.10 2.63 0.11 -1.26 0.04 120.40 128.60 1nr9 s VAL 71 Ca 0.04 2.05 -0.08 0.00 -2.93 0.00 0.00 61.98 61.06 1nr9 s VAL 71 Cb -0.16 -4.31 -0.01 0.00 -1.53 0.00 0.00 36.38 30.37 1nr9 s VAL 71 CO -0.17 0.36 0.19 -1.61 -3.33 0.00 0.00 175.10 170.54 1nr9 s GLU 72 N -0.26 0.89 -0.23 1.54 2.02 -0.07 -4.22 118.70 118.38 1nr9 s GLU 72 Ca 0.45 -1.04 -0.18 0.00 0.02 0.00 0.00 54.97 54.22 1nr9 s GLU 72 Cb -0.24 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.30 1nr9 s GLU 72 CO 0.30 -0.29 0.51 -1.17 0.02 0.00 0.00 175.26 174.63 1nr9 s LEU 73 N -2.89 4.10 -0.11 1.80 2.96 -1.26 -1.27 118.68 122.01 1nr9 s LEU 73 Ca 0.08 0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 1nr9 s LEU 73 Cb 0.05 -2.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1nr9 s LEU 73 CO -0.08 -0.23 0.24 0.00 -1.32 0.00 0.00 176.35 174.96 1nr9 s ALA 74 N 1.96 3.76 -0.18 5.97 0.00 0.43 -2.45 121.76 131.25 1nr9 s ALA 74 Ca 0.22 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1nr9 s ALA 74 Cb -0.15 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1nr9 s ALA 74 CO 0.09 0.43 -0.20 0.08 0.00 0.00 0.00 175.76 176.16 1nr9 s VAL 75 N -0.59 2.10 -0.41 0.00 1.01 -0.67 -0.46 120.40 121.37 1nr9 s VAL 75 Ca 0.17 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1nr9 s VAL 75 Cb -0.13 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1nr9 s VAL 75 CO 0.06 0.54 0.76 -0.22 0.00 0.00 0.00 175.10 176.24 1nr9 s LEU 76 N 1.23 4.21 0.15 3.92 2.96 -0.69 -2.21 118.68 128.27 1nr9 s LEU 76 Ca 0.03 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 1nr9 s LEU 76 Cb -0.13 -2.96 -0.07 0.00 0.50 0.00 0.00 46.19 43.53 1nr9 s LEU 76 CO -0.11 -0.81 1.16 -0.63 -1.32 0.00 0.00 176.35 174.63 1nr9 s ILE 77 N 3.14 3.80 -1.44 6.68 1.09 -0.54 0.32 121.20 134.24 1nr9 s ILE 77 Ca 0.30 1.48 0.13 0.00 -1.10 0.00 0.00 60.65 61.45 1nr9 s ILE 77 Cb -0.13 -3.94 0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1nr9 s ILE 77 CO 0.20 0.22 0.84 0.61 -0.10 0.00 0.00 174.94 176.70 1nr9 n GLY 78 N 2.35 -0.10 3.48 6.18 0.00 0.65 -1.12 105.19 116.62 1nr9 n GLY 78 Ca 0.05 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1nr9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr9 s ALA 79 N -1.33 -1.71 0.14 4.61 0.00 -1.24 -4.67 121.76 117.56 1nr9 s ALA 79 Ca 0.13 1.00 -0.35 0.00 0.00 0.00 0.00 51.96 52.74 1nr9 s ALA 79 Cb 0.11 0.33 -0.15 0.00 0.00 0.00 0.00 23.12 23.42 1nr9 s ALA 79 CO 0.24 -0.53 1.51 2.41 0.00 0.00 0.00 175.76 179.38 1nr9 n THR 80 N 0.36 0.01 -4.30 0.00 -1.04 -1.26 -4.46 114.28 103.59 1nr9 n THR 80 Ca -0.18 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.55 1nr9 n THR 80 Cb 0.60 -1.33 -0.17 0.00 -1.82 0.00 0.00 70.33 67.62 1nr9 n THR 80 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nr9 s LEU 81 N 0.78 1.61 -0.18 -4.42 1.02 -0.10 -4.99 118.68 112.40 1nr9 s LEU 81 Ca 0.80 -0.40 -0.06 0.00 0.02 0.00 0.00 54.13 54.50 1nr9 s LEU 81 Cb -0.76 -1.03 0.09 0.00 0.02 0.00 0.00 46.19 44.51 1nr9 s LEU 81 CO 0.40 -0.02 0.35 -0.60 0.02 0.00 0.00 176.35 176.51 1nr9 s ARG 82 N 1.16 0.26 -0.97 1.70 3.00 -1.26 -0.80 118.95 122.04 1nr9 s ARG 82 Ca -0.04 0.86 0.00 0.00 -1.00 0.00 0.00 55.73 55.55 1nr9 s ARG 82 Cb -0.14 0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.88 1nr9 s ARG 82 CO -0.04 -0.32 0.00 1.04 0.00 0.00 0.00 175.30 175.99 1nr9 n GLN 83 N 5.37 -2.21 -1.87 5.12 1.13 -0.91 -4.85 117.38 119.16 1nr9 n GLN 83 Ca -0.07 0.55 -0.34 0.00 -1.94 0.00 0.00 57.00 55.20 1nr9 n GLN 83 Cb 0.50 -5.10 0.04 0.00 0.11 0.00 0.00 30.24 25.78 1nr9 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nr9 s ALA 84 N -2.49 2.51 0.79 -1.58 0.00 -1.26 -5.01 121.76 114.71 1nr9 s ALA 84 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 1nr9 s ALA 84 Cb 0.00 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1nr9 s ALA 84 CO 0.00 -1.19 1.11 0.95 0.00 0.00 0.00 175.76 176.63 1nr9 s THR 85 N -2.15 2.15 -0.67 0.00 -4.23 -1.26 -4.80 115.64 104.67 1nr9 s THR 85 Ca 0.69 -0.26 0.24 0.00 -1.18 0.00 0.00 61.69 61.17 1nr9 s THR 85 Cb -0.22 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 70.97 1nr9 s THR 85 CO 0.38 0.00 1.72 -0.62 -0.54 0.00 0.00 174.62 175.55 1nr9 n GLU 86 N -3.16 0.17 0.11 3.99 1.02 -1.26 -2.49 120.64 119.02 1nr9 n GLU 86 Ca 0.12 0.30 -0.22 0.00 -0.02 0.00 0.00 57.16 57.34 1nr9 n GLU 86 Cb 0.60 -1.77 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 1nr9 n GLU 86 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nr9 h GLU 87 N 0.00 0.42 -0.51 3.49 5.08 -1.97 -2.88 114.58 118.21 1nr9 h GLU 87 Ca 0.00 -0.73 -0.01 0.00 -1.00 0.00 0.00 59.36 57.62 1nr9 h GLU 87 Cb 0.47 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1nr9 h GLU 87 CO 0.00 1.33 0.28 0.45 -1.00 0.00 0.00 179.01 180.07 1nr9 h HIS 88 N 0.12 0.71 0.34 4.33 3.86 -1.88 -2.22 115.15 120.40 1nr9 h HIS 88 Ca -0.25 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 1nr9 h HIS 88 Cb 2.10 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 30.32 1nr9 h HIS 88 CO 0.10 0.53 -0.43 0.28 0.86 0.00 0.00 177.93 179.27 1nr9 h VAL 89 N 0.68 0.00 -0.54 2.45 2.07 -1.55 -1.61 116.25 117.75 1nr9 h VAL 89 Ca 0.18 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1nr9 h VAL 89 Cb 0.06 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.72 1nr9 h VAL 89 CO -0.03 0.00 -0.16 0.03 0.02 0.00 0.00 177.57 177.43 1nr9 h ARG 90 N -0.79 -0.03 0.00 1.57 3.08 -1.41 0.42 114.38 117.21 1nr9 h ARG 90 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1nr9 h ARG 90 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1nr9 h ARG 90 CO -0.10 -0.02 0.00 1.63 -1.07 0.00 0.00 179.97 180.41 1nr9 n LYS 91 N -5.40 0.73 -0.03 0.04 5.02 -0.85 -3.57 118.16 114.11 1nr9 n LYS 91 Ca 0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.32 1nr9 n LYS 91 Cb 0.30 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1nr9 n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr9 n ALA 92 N -0.80 1.92 -1.89 7.82 0.00 0.14 -4.96 120.51 122.74 1nr9 n ALA 92 Ca 0.10 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1nr9 n ALA 92 Cb 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1nr9 n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nr9 s ILE 93 N -2.24 3.36 -1.17 0.00 -4.36 -0.71 -0.25 121.20 115.82 1nr9 s ILE 93 Ca -0.03 1.25 0.14 0.00 -0.26 0.00 0.00 60.65 61.75 1nr9 s ILE 93 Cb 0.03 -3.80 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 1nr9 s ILE 93 CO 0.28 0.25 0.75 0.00 0.24 0.00 0.00 174.94 176.46 1nr9 n ALA 94 N 1.75 3.27 0.00 2.27 0.00 0.15 -4.76 120.51 123.18 1nr9 n ALA 94 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1nr9 n ALA 94 Cb 0.44 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1nr9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr9 n GLY 95 N 1.15 -0.68 2.97 0.00 0.00 -1.20 -1.62 105.19 105.81 1nr9 n GLY 95 Ca 0.05 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1nr9 n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nr9 s TYR 96 N -2.00 0.21 0.38 1.61 1.51 -0.82 -1.70 117.35 116.53 1nr9 s TYR 96 Ca 0.00 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.50 1nr9 s TYR 96 Cb 0.00 -0.16 0.05 0.00 -0.11 0.00 0.00 41.96 41.74 1nr9 s TYR 96 CO 0.00 -0.17 0.73 0.20 -1.11 0.00 0.00 175.55 175.20 1nr9 s GLY 97 N -1.25 0.57 0.17 0.71 0.00 0.39 -0.25 107.32 107.66 1nr9 s GLY 97 Ca -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.75 1nr9 s GLY 97 CO -0.01 -0.44 0.07 0.14 0.00 0.00 0.00 173.10 172.86 1nr9 s VAL 98 N -2.47 4.11 0.09 1.40 1.01 -1.26 0.16 120.40 123.44 1nr9 s VAL 98 Ca 0.18 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1nr9 s VAL 98 Cb -0.04 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1nr9 s VAL 98 CO 0.13 -0.10 0.21 0.00 0.00 0.00 0.00 175.10 175.34 1nr9 s ALA 99 N -1.73 -0.29 -0.26 5.51 0.00 -0.40 -1.41 121.76 123.18 1nr9 s ALA 99 Ca 0.29 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 1nr9 s ALA 99 Cb -0.10 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1nr9 s ALA 99 CO 0.21 -0.52 -0.01 -0.51 0.00 0.00 0.00 175.76 174.93 1nr9 s LEU 100 N -2.84 3.37 -1.22 0.00 1.02 -0.67 -0.89 118.68 117.44 1nr9 s LEU 100 Ca 0.05 -0.72 -0.15 0.00 0.02 0.00 0.00 54.13 53.33 1nr9 s LEU 100 Cb 0.05 -1.76 0.15 0.00 0.02 0.00 0.00 46.19 44.65 1nr9 s LEU 100 CO -0.11 -0.13 1.48 -0.62 0.02 0.00 0.00 176.35 176.99 1nr9 s ASP 101 N 1.42 7.02 0.19 2.29 2.15 0.11 -3.12 116.67 126.72 1nr9 s ASP 101 Ca 0.02 -2.88 -0.31 0.00 0.43 0.00 0.00 52.55 49.81 1nr9 s ASP 101 Cb -0.16 -2.43 -0.09 0.00 -0.30 0.00 0.00 42.92 39.93 1nr9 s ASP 101 CO -0.02 -0.83 1.46 -0.76 -0.17 0.00 0.00 175.17 174.86 1nr9 s LEU 102 N 2.06 4.38 0.01 -1.34 1.02 -0.90 -3.58 118.68 120.33 1nr9 s LEU 102 Ca 0.44 2.55 -0.03 0.00 0.02 0.00 0.00 54.13 57.12 1nr9 s LEU 102 Cb -0.02 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 1nr9 s LEU 102 CO 0.01 -0.72 0.04 0.42 0.02 0.00 0.00 176.35 176.12 1nr9 s THR 103 N 0.65 0.09 -0.83 5.49 -4.23 -0.83 -4.74 115.64 111.24 1nr9 s THR 103 Ca 0.64 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 60.24 1nr9 s THR 103 Cb -0.41 -0.30 0.14 0.00 1.34 0.00 0.00 72.50 73.27 1nr9 s THR 103 CO 0.36 -0.40 0.96 -0.76 -0.54 0.00 0.00 174.62 174.23 1nr9 s LEU 104 N -1.27 5.49 0.22 4.79 1.43 -0.62 -0.27 118.68 128.45 1nr9 s LEU 104 Ca -0.14 -2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 50.86 1nr9 s LEU 104 Cb -0.08 -2.34 0.35 0.00 0.03 0.00 0.00 46.19 44.15 1nr9 s LEU 104 CO 0.00 -0.98 1.75 0.03 0.23 0.00 0.00 176.35 177.38 1nr9 h ARG 105 N 8.69 0.45 -0.17 1.70 2.47 -1.87 0.24 114.38 125.88 1nr9 h ARG 105 Ca 0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1nr9 h ARG 105 Cb 1.04 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1nr9 h ARG 105 CO 1.02 0.29 0.10 -0.44 0.56 0.00 0.00 179.97 181.51 1nr9 h ASP 106 N 0.46 0.17 -0.33 7.04 3.45 -1.86 0.31 116.42 125.66 1nr9 h ASP 106 Ca 0.35 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.74 1nr9 h ASP 106 Cb 0.45 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1nr9 h ASP 106 CO -0.33 0.13 -0.01 0.58 -1.57 0.00 0.00 179.24 178.04 1nr9 h VAL 107 N 0.21 1.23 -0.31 -1.35 2.07 -1.64 -1.75 116.25 114.70 1nr9 h VAL 107 Ca 0.06 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.46 1nr9 h VAL 107 Cb -0.02 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1nr9 h VAL 107 CO -0.02 0.33 -0.49 -0.61 0.02 0.00 0.00 177.57 176.80 1nr9 h GLN 108 N 0.65 0.89 -0.19 1.57 4.15 -0.04 -3.06 115.11 119.07 1nr9 h GLN 108 Ca 0.13 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1nr9 h GLN 108 Cb 0.42 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1nr9 h GLN 108 CO 0.02 1.17 0.13 0.78 -1.93 0.00 0.00 178.83 179.00 1nr9 h GLY 109 N 0.68 0.27 -1.30 2.39 0.00 -0.18 0.48 103.07 105.41 1nr9 h GLY 109 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1nr9 h GLY 109 CO 0.11 0.10 0.00 1.17 0.00 0.00 0.00 176.54 177.92 1nr9 n LYS 110 N -4.95 0.00 0.00 4.80 4.81 -0.68 -1.92 118.16 120.22 1nr9 n LYS 110 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1nr9 n LYS 110 Cb 0.03 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1nr9 n LYS 110 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1nr9 n LYS 112 N 0.54 0.00 0.24 1.64 5.02 0.16 -1.76 118.16 124.00 1nr9 n LYS 112 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1nr9 n LYS 112 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.56 1nr9 n LYS 112 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nr9 h LYS 113 N 0.00 0.00 -0.25 1.97 1.57 -1.64 -2.95 116.57 115.27 1nr9 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nr9 h LYS 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nr9 h LYS 113 CO 0.00 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1nr9 n ALA 114 N -2.24 2.45 -3.49 3.86 0.00 -0.72 -4.97 120.51 115.41 1nr9 n ALA 114 Ca -0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 53.44 52.37 1nr9 n ALA 114 Cb 0.37 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.96 1nr9 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr9 n GLY 115 N 1.39 -0.53 3.78 0.00 0.00 -1.11 -5.00 105.19 103.72 1nr9 n GLY 115 Ca 0.18 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1nr9 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nr9 s GLN 116 N -6.19 2.40 1.03 1.61 -0.21 -1.26 -5.07 119.66 111.97 1nr9 s GLN 116 Ca 0.51 -1.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.14 1nr9 s GLN 116 Cb -0.24 -2.19 0.15 0.00 1.00 0.00 0.00 33.01 31.73 1nr9 s GLN 116 CO 0.63 -0.05 0.71 -2.30 -2.12 0.00 0.00 175.29 172.16 1nr9 n PRO 117 N -1.30 -1.15 0.00 2.91 -0.02 -1.26 -4.69 135.00 129.49 1nr9 n PRO 117 Ca -0.00 -0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.27 1nr9 n PRO 117 Cb 0.62 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1nr9 n PRO 117 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nr9 n TRP 118 N -4.31 0.00 -0.31 6.00 7.02 -1.26 -4.67 117.44 119.91 1nr9 n TRP 118 Ca 0.06 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.57 1nr9 n TRP 118 Cb 0.55 0.00 0.11 0.00 -2.42 0.00 0.00 31.31 29.55 1nr9 n TRP 118 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1nr9 h GLU 119 N 1.95 -0.01 -0.63 -0.99 3.07 -1.92 0.17 114.58 116.22 1nr9 h GLU 119 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 1nr9 h GLU 119 Cb 0.61 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 1nr9 h GLU 119 CO 0.00 -0.00 0.43 0.87 -1.40 0.00 0.00 179.01 178.91 1nr9 h LYS 120 N -0.01 0.29 0.00 2.33 1.57 -1.94 0.56 116.57 119.37 1nr9 h LYS 120 Ca 0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1nr9 h LYS 120 Cb 0.64 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1nr9 h LYS 120 CO -0.90 0.19 -0.95 0.00 -0.57 0.00 0.00 179.45 177.22 1nr9 n ALA 121 N -2.55 4.45 0.00 3.86 0.00 0.47 -4.47 120.51 122.26 1nr9 n ALA 121 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1nr9 n ALA 121 Cb 0.49 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1nr9 n ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nr9 n LYS 122 N -1.54 2.98 -0.29 0.00 4.76 -0.37 -1.58 118.16 122.11 1nr9 n LYS 122 Ca 0.04 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.56 1nr9 n LYS 122 Cb 0.34 -0.73 0.23 0.00 -1.84 0.00 0.00 35.03 33.03 1nr9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr9 n ALA 123 N -0.75 2.37 -0.53 7.82 0.00 0.19 -4.82 120.51 124.79 1nr9 n ALA 123 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 53.44 51.83 1nr9 n ALA 123 Cb 0.00 -0.65 0.27 0.00 0.00 0.00 0.00 19.45 19.07 1nr9 n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1nr9 s PHE 124 N -1.21 0.45 0.19 0.00 -0.71 -1.23 -4.67 117.98 110.81 1nr9 s PHE 124 Ca 0.34 0.84 -0.31 0.00 -1.04 0.00 0.00 56.93 56.77 1nr9 s PHE 124 Cb 0.19 -3.04 -0.10 0.00 -1.21 0.00 0.00 43.02 38.87 1nr9 s PHE 124 CO 0.21 -4.36 1.47 -0.51 -1.34 0.00 0.00 175.22 170.69 1nr9 s ASP 125 N -2.93 6.68 -1.67 1.98 1.11 -1.26 -2.51 116.67 118.08 1nr9 s ASP 125 Ca 0.69 2.57 0.00 0.00 0.18 0.00 0.00 52.55 55.98 1nr9 s ASP 125 Cb -0.19 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.20 1nr9 s ASP 125 CO 0.61 -0.72 0.00 0.59 1.18 0.00 0.00 175.17 176.83 1nr9 n ASN 126 N 3.23 -5.07 0.00 0.27 3.02 -0.92 -4.84 115.26 110.95 1nr9 n ASN 126 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1nr9 n ASN 126 Cb 0.40 -4.13 0.01 0.00 -0.61 0.00 0.00 39.78 35.46 1nr9 n ASN 126 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nr9 n SER 127 N -1.03 0.00 -3.15 6.41 3.41 -1.02 -4.25 113.62 114.00 1nr9 n SER 127 Ca -0.19 -1.68 -0.20 0.00 -0.26 0.00 0.00 58.87 56.54 1nr9 n SER 127 Cb 0.61 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1nr9 n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr9 s PRO 129 N -0.01 4.31 -0.01 0.00 0.02 -1.18 -2.70 135.00 135.42 1nr9 s PRO 129 Ca 0.33 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.61 1nr9 s PRO 129 Cb 0.08 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 1nr9 s PRO 129 CO -0.15 -0.35 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.88 1nr9 s LEU 130 N -0.42 1.98 0.84 -5.54 2.96 -0.09 -1.67 118.68 116.74 1nr9 s LEU 130 Ca 0.58 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1nr9 s LEU 130 Cb -0.40 -0.58 0.17 0.00 0.50 0.00 0.00 46.19 45.87 1nr9 s LEU 130 CO 0.43 0.13 1.16 -0.94 -1.32 0.00 0.00 176.35 175.80 1nr9 s SER 131 N -0.18 3.68 0.60 3.68 1.04 -0.50 -1.05 113.70 120.97 1nr9 s SER 131 Ca 0.03 -0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 1nr9 s SER 131 Cb -0.05 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 1nr9 s SER 131 CO -0.00 -2.33 1.02 -0.83 0.98 0.00 0.00 173.24 172.08 1nr9 s GLY 132 N -4.84 1.81 0.07 7.32 0.00 -1.26 -4.79 107.32 105.62 1nr9 s GLY 132 Ca 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 1nr9 s GLY 132 CO 0.49 0.32 0.25 -1.36 0.00 0.00 0.00 173.10 172.79 1nr9 s PHE 133 N -2.96 3.51 -0.34 1.90 0.40 0.78 -4.39 117.98 116.88 1nr9 s PHE 133 Ca 0.57 0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 57.13 1nr9 s PHE 133 Cb -0.11 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1nr9 s PHE 133 CO 0.46 0.56 0.19 0.42 0.70 0.00 0.00 175.22 177.55 1nr9 s ILE 134 N -1.53 4.73 0.12 0.64 1.01 0.66 -2.18 121.20 124.66 1nr9 s ILE 134 Ca 0.36 -0.51 -0.34 0.00 0.00 0.00 0.00 60.65 60.16 1nr9 s ILE 134 Cb -0.13 -3.48 -0.18 0.00 0.01 0.00 0.00 42.46 38.68 1nr9 s ILE 134 CO 0.26 -0.04 0.92 -2.65 0.00 0.00 0.00 174.94 173.43 1nr9 n PRO 135 N 5.01 0.38 -0.27 2.79 -0.02 -1.26 -1.94 135.00 139.68 1nr9 n PRO 135 Ca -0.13 0.13 0.28 0.00 -2.02 0.00 0.00 63.50 61.76 1nr9 n PRO 135 Cb 0.48 -1.47 0.64 0.00 -0.02 0.00 0.00 33.50 33.14 1nr9 n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nr9 h ALA 136 N 2.44 2.66 -0.12 3.55 0.00 -1.61 0.66 119.26 126.84 1nr9 h ALA 136 Ca -0.41 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1nr9 h ALA 136 Cb 1.41 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1nr9 h ALA 136 CO 0.64 -0.99 -0.54 0.00 0.00 0.00 0.00 179.25 178.35 1nr9 h ALA 137 N 1.54 0.23 0.00 0.00 0.00 -1.86 -3.14 119.26 116.02 1nr9 h ALA 137 Ca 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nr9 h ALA 137 Cb 1.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1nr9 h ALA 137 CO -0.12 0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.96 1nr9 n GLU 138 N -4.18 0.80 -2.39 0.00 1.02 0.10 -4.73 120.64 111.26 1nr9 n GLU 138 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1nr9 n GLU 138 Cb 0.62 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 1nr9 n GLU 138 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1nr9 s PHE 139 N -2.16 2.52 -0.61 -0.32 5.36 -0.46 -4.92 117.98 117.39 1nr9 s PHE 139 Ca 0.40 0.74 -0.14 0.00 -0.96 0.00 0.00 56.93 56.98 1nr9 s PHE 139 Cb 0.20 -4.17 0.15 0.00 -0.34 0.00 0.00 43.02 38.87 1nr9 s PHE 139 CO 0.38 -1.85 0.55 0.95 -1.46 0.00 0.00 175.22 173.78 1nr9 s THR 140 N 4.99 5.13 -5.00 0.12 -4.23 -1.26 -4.91 115.64 110.48 1nr9 s THR 140 Ca 0.59 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1nr9 s THR 140 Cb -0.14 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1nr9 s THR 140 CO 0.29 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1nr9 n GLY 141 N 4.79 -0.80 3.12 3.99 0.00 -1.26 -5.09 105.19 109.95 1nr9 n GLY 141 Ca -0.05 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1nr9 n GLY 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nr9 s ASP 142 N -4.00 4.25 0.22 1.61 -1.08 -1.26 -4.99 116.67 111.42 1nr9 s ASP 142 Ca 0.00 -1.13 -0.10 0.00 -0.52 0.00 0.00 52.55 50.80 1nr9 s ASP 142 Cb 0.00 -1.59 0.32 0.00 -1.46 0.00 0.00 42.92 40.19 1nr9 s ASP 142 CO 0.00 -0.15 1.65 -0.65 0.52 0.00 0.00 175.17 176.54 1nr9 h PRO 143 N 7.89 0.09 0.00 4.34 0.11 -1.98 0.26 132.00 142.71 1nr9 h PRO 143 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nr9 h PRO 143 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nr9 h PRO 143 CO 0.53 0.06 0.00 0.94 -0.21 0.00 0.00 178.00 179.32 1nr9 n GLN 144 N -5.32 0.33 -3.05 1.05 -0.06 -1.26 -3.30 117.38 105.78 1nr9 n GLN 144 Ca 0.10 0.08 -0.16 0.00 -2.00 0.00 0.00 57.00 55.01 1nr9 n GLN 144 Cb 0.38 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 25.05 1nr9 n GLN 144 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1nr9 n ASN 145 N -1.14 -0.40 -4.35 1.69 4.05 0.88 -2.76 115.26 113.23 1nr9 n ASN 145 Ca 0.09 -3.11 -0.28 0.00 0.45 0.00 0.00 54.58 51.73 1nr9 n ASN 145 Cb 0.08 0.18 -0.13 0.00 1.23 0.00 0.00 39.78 41.13 1nr9 n ASN 145 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1nr9 s THR 146 N -1.23 2.08 0.49 -0.44 2.01 -1.03 -4.40 115.64 113.12 1nr9 s THR 146 Ca 0.34 -1.59 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 1nr9 s THR 146 Cb 0.28 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.87 1nr9 s THR 146 CO -0.10 0.13 0.98 -0.89 -0.69 0.00 0.00 174.62 174.05 1nr9 s THR 147 N -1.00 4.36 -0.11 -0.82 2.01 -1.26 -0.47 115.64 118.35 1nr9 s THR 147 Ca 0.11 1.27 -0.06 0.00 0.31 0.00 0.00 61.69 63.33 1nr9 s THR 147 Cb -0.10 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.83 1nr9 s THR 147 CO 0.04 -0.51 0.26 -0.76 -0.69 0.00 0.00 174.62 172.96 1nr9 s LEU 148 N -3.76 0.35 -0.01 4.42 1.43 -0.54 -1.56 118.68 119.01 1nr9 s LEU 148 Ca 0.61 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 1nr9 s LEU 148 Cb -0.11 0.78 0.02 0.00 0.03 0.00 0.00 46.19 46.91 1nr9 s LEU 148 CO 0.25 -0.17 0.24 -0.94 0.23 0.00 0.00 176.35 175.96 1nr9 s SER 149 N 1.30 -0.11 -0.05 2.29 1.04 -0.13 -0.26 113.70 117.78 1nr9 s SER 149 Ca -0.09 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1nr9 s SER 149 Cb -0.10 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1nr9 s SER 149 CO -0.09 -0.39 0.01 -0.22 0.98 0.00 0.00 173.24 173.53 1nr9 s LEU 150 N -1.25 0.78 -0.06 2.42 0.20 0.45 0.01 118.68 121.23 1nr9 s LEU 150 Ca -0.13 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.69 1nr9 s LEU 150 Cb -0.06 -0.30 -0.02 0.00 -0.43 0.00 0.00 46.19 45.38 1nr9 s LEU 150 CO 0.03 -0.16 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.33 1nr9 s SER 151 N 1.56 3.89 -0.21 3.68 0.01 0.22 -1.44 113.70 121.42 1nr9 s SER 151 Ca -0.02 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1nr9 s SER 151 Cb -0.13 -0.92 0.04 0.00 0.21 0.00 0.00 66.02 65.22 1nr9 s SER 151 CO -0.03 0.31 -0.12 -0.69 0.41 0.00 0.00 173.24 173.12 1nr9 s VAL 152 N -0.52 1.89 -1.34 3.43 1.01 -0.91 -0.96 120.40 122.99 1nr9 s VAL 152 Ca 0.07 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 1nr9 s VAL 152 Cb -0.12 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1nr9 s VAL 152 CO 0.01 0.18 1.05 0.59 0.00 0.00 0.00 175.10 176.93 1nr9 n ASN 153 N 4.59 -4.39 0.00 3.32 3.02 0.15 -2.71 115.26 119.24 1nr9 n ASN 153 Ca -0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1nr9 n ASN 153 Cb 0.46 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1nr9 n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nr9 n GLY 154 N -1.68 2.89 3.82 7.41 0.00 -1.26 -5.01 105.19 111.36 1nr9 n GLY 154 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1nr9 n GLY 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nr9 s GLU 155 N -0.11 4.13 -0.02 1.61 -1.05 -1.10 -5.03 118.70 117.13 1nr9 s GLU 155 Ca 0.00 0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 55.20 1nr9 s GLU 155 Cb 0.00 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.60 1nr9 s GLU 155 CO 0.00 0.52 1.30 -1.14 0.95 0.00 0.00 175.26 176.90 1nr9 s GLN 156 N -1.63 4.32 -0.17 -4.83 2.00 -1.26 -2.15 119.66 115.94 1nr9 s GLN 156 Ca 0.36 1.83 -0.09 0.00 -2.00 0.00 0.00 55.36 55.45 1nr9 s GLN 156 Cb -0.17 -3.56 -0.07 0.00 0.80 0.00 0.00 33.01 30.01 1nr9 s GLN 156 CO 0.20 -0.51 -0.23 0.54 -0.50 0.00 0.00 175.29 174.78 1nr9 n ARG 157 N 5.26 0.38 -4.57 1.67 5.12 -0.52 -4.96 116.66 119.03 1nr9 n ARG 157 Ca 0.12 0.16 -0.24 0.00 -1.93 0.00 0.00 57.85 55.96 1nr9 n ARG 157 Cb 0.45 -1.14 -0.16 0.00 -1.16 0.00 0.00 32.46 30.45 1nr9 n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1nr9 s GLN 158 N -2.37 1.59 -0.24 5.56 -0.21 -0.97 -4.48 119.66 118.53 1nr9 s GLN 158 Ca -0.25 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 1nr9 s GLN 158 Cb 0.09 -1.34 0.11 0.00 1.00 0.00 0.00 33.01 32.87 1nr9 s GLN 158 CO 0.31 0.06 0.26 -1.14 -2.12 0.00 0.00 175.29 172.66 1nr9 s GLN 159 N 0.55 0.25 0.00 2.91 2.00 -1.25 -0.41 119.66 123.71 1nr9 s GLN 159 Ca -0.12 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 1nr9 s GLN 159 Cb -0.14 -0.94 0.00 0.00 0.80 0.00 0.00 33.01 32.72 1nr9 s GLN 159 CO 0.03 -0.77 0.00 0.41 -0.50 0.00 0.00 175.29 174.46 1nr9 n GLY 160 N 5.32 3.21 2.97 2.59 0.00 0.64 -4.98 105.19 114.95 1nr9 n GLY 160 Ca -0.04 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1nr9 n GLY 160 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nr9 s THR 161 N -2.41 0.04 -2.00 2.61 -1.32 -1.26 -1.47 115.64 109.83 1nr9 s THR 161 Ca 0.00 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1nr9 s THR 161 Cb 0.00 -0.18 0.49 0.00 -1.51 0.00 0.00 72.50 71.29 1nr9 s THR 161 CO 0.00 -0.19 1.43 0.35 -2.21 0.00 0.00 174.62 174.00 1nr9 n THR 162 N 2.44 0.00 0.09 5.08 -2.24 0.38 -2.15 114.28 117.88 1nr9 n THR 162 Ca -0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1nr9 n THR 162 Cb 0.58 -0.69 0.15 0.00 -2.10 0.00 0.00 70.33 68.26 1nr9 n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr9 h ALA 163 N 3.08 0.91 -1.33 6.98 0.00 -1.78 -3.42 119.26 123.70 1nr9 h ALA 163 Ca 0.00 -0.52 -0.56 0.00 0.00 0.00 0.00 54.91 53.83 1nr9 h ALA 163 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1nr9 h ALA 163 CO 0.00 0.71 1.12 -0.51 0.00 0.00 0.00 179.25 180.57 1nr9 s ASP 164 N -6.89 6.24 0.00 0.00 -0.00 -0.91 -5.04 116.67 110.07 1nr9 s ASP 164 Ca -0.04 -0.72 0.00 0.00 -0.00 0.00 0.00 52.55 51.79 1nr9 s ASP 164 Cb 0.12 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.49 1nr9 s ASP 164 CO 0.79 -1.73 0.00 -0.38 -0.00 0.00 0.00 175.17 173.85 1nr9 n ILE 166 N 6.45 0.00 -1.93 0.77 5.41 0.63 -2.91 119.36 127.78 1nr9 n ILE 166 Ca 0.09 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.41 1nr9 n ILE 166 Cb 0.49 -0.38 -0.03 0.00 -0.71 0.00 0.00 39.64 39.02 1nr9 n ILE 166 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1nr9 s HIS 167 N 0.00 1.69 0.91 1.39 3.76 -1.26 -4.94 115.29 116.84 1nr9 s HIS 167 Ca 0.00 0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 55.40 1nr9 s HIS 167 Cb 0.00 -4.09 0.10 0.00 1.11 0.00 0.00 32.58 29.70 1nr9 s HIS 167 CO 0.00 -3.16 0.91 1.63 -0.85 0.00 0.00 174.74 173.26 1nr9 n LYS 168 N 8.48 -0.32 -0.32 1.40 4.76 -1.26 -4.66 118.16 126.24 1nr9 n LYS 168 Ca 0.24 -0.03 0.04 0.00 -2.87 0.00 0.00 58.31 55.69 1nr9 n LYS 168 Cb 0.46 -2.21 0.19 0.00 -1.84 0.00 0.00 35.03 31.63 1nr9 n LYS 168 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1nr9 h ILE 169 N -1.65 0.95 -0.04 -0.18 2.04 -1.95 -1.52 117.51 115.16 1nr9 h ILE 169 Ca -0.44 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 1nr9 h ILE 169 Cb 1.28 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1nr9 h ILE 169 CO 0.39 0.17 -0.30 1.62 0.00 0.00 0.00 178.15 180.04 1nr9 h VAL 170 N 0.92 1.46 -0.44 1.67 3.04 -1.96 -2.99 116.25 117.95 1nr9 h VAL 170 Ca 0.43 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.31 1nr9 h VAL 170 Cb 0.35 2.48 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 1nr9 h VAL 170 CO -0.23 0.50 0.21 -0.65 -1.01 0.00 0.00 177.57 176.39 1nr9 h PRO 171 N -0.28 0.64 0.04 4.17 0.11 -1.90 -1.22 132.00 133.55 1nr9 h PRO 171 Ca -0.03 -0.10 0.03 0.00 0.11 0.00 0.00 66.00 66.02 1nr9 h PRO 171 Cb 0.98 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1nr9 h PRO 171 CO 0.06 0.55 -0.31 1.25 -0.21 0.00 0.00 178.00 179.34 1nr9 h LEU 172 N 0.57 -0.92 -1.51 2.35 5.85 -1.38 0.53 115.31 120.79 1nr9 h LEU 172 Ca 0.15 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1nr9 h LEU 172 Cb 0.13 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1nr9 h LEU 172 CO -0.02 -0.38 0.24 0.40 -0.34 0.00 0.00 178.44 178.34 1nr9 h ILE 173 N -0.48 1.13 -0.29 4.05 2.04 -1.42 -0.31 117.51 122.23 1nr9 h ILE 173 Ca 0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1nr9 h ILE 173 Cb 0.55 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1nr9 h ILE 173 CO -0.24 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.16 1nr9 h ALA 174 N 1.69 0.37 0.00 1.87 0.00 0.05 -1.58 119.26 121.67 1nr9 h ALA 174 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nr9 h ALA 174 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nr9 h ALA 174 CO -0.03 -0.03 0.00 0.98 0.00 0.00 0.00 179.25 180.18 1nr9 n TYR 175 N -4.75 0.00 0.00 0.00 9.36 0.17 -3.30 117.16 118.65 1nr9 n TYR 175 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1nr9 n TYR 175 Cb 0.13 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 1nr9 n TYR 175 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1nr9 n SER 177 N 0.74 0.00 0.18 2.98 3.41 -0.60 -3.95 113.62 116.39 1nr9 n SER 177 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1nr9 n SER 177 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 1nr9 n SER 177 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nr9 h LYS 178 N 0.00 0.00 0.00 4.33 1.79 -1.84 -2.43 116.57 118.42 1nr9 h LYS 178 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1nr9 h LYS 178 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1nr9 h LYS 178 CO 0.00 0.41 -2.26 1.19 -1.08 0.00 0.00 179.45 177.70 1nr9 n PHE 179 N -3.55 0.00 -4.52 -1.35 3.01 -1.25 -4.88 117.46 104.91 1nr9 n PHE 179 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1nr9 n PHE 179 Cb 0.53 -0.82 -0.16 0.00 -0.01 0.00 0.00 39.48 39.01 1nr9 n PHE 179 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1nr9 s PHE 180 N -2.42 1.33 0.35 1.38 0.40 -1.26 -5.11 117.98 112.64 1nr9 s PHE 180 Ca -0.31 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.27 1nr9 s PHE 180 Cb 0.11 -0.99 -0.09 0.00 0.51 0.00 0.00 43.02 42.56 1nr9 s PHE 180 CO 0.42 -0.25 1.23 -0.08 0.70 0.00 0.00 175.22 177.24 1nr9 s THR 181 N 0.67 2.96 -0.11 0.64 -1.32 -1.26 -3.94 115.64 113.28 1nr9 s THR 181 Ca -0.14 0.91 -0.11 0.00 -1.21 0.00 0.00 61.69 61.14 1nr9 s THR 181 Cb -0.15 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.23 1nr9 s THR 181 CO 0.03 0.18 0.26 -0.76 -2.21 0.00 0.00 174.62 172.12 1nr9 s LEU 182 N -1.98 4.35 0.36 9.08 1.43 0.02 -4.95 118.68 127.00 1nr9 s LEU 182 Ca 0.51 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1nr9 s LEU 182 Cb -0.36 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1nr9 s LEU 182 CO 0.47 0.28 0.17 -0.54 0.23 0.00 0.00 176.35 176.95 1nr9 s LYS 183 N -0.48 2.36 0.05 1.70 1.02 -1.26 -0.93 119.74 122.19 1nr9 s LYS 183 Ca 0.17 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 1nr9 s LYS 183 Cb -0.13 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.94 1nr9 s LYS 183 CO 0.06 0.04 1.75 0.00 -0.92 0.00 0.00 175.35 176.28 1nr9 s ALA 184 N -2.46 3.66 0.00 5.17 0.00 -1.26 -1.28 121.76 125.58 1nr9 s ALA 184 Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1nr9 s ALA 184 Cb -0.01 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1nr9 s ALA 184 CO 0.23 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1nr9 n GLY 185 N 4.19 2.28 3.77 0.00 0.00 -0.28 -4.11 105.19 111.04 1nr9 n GLY 185 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1nr9 n GLY 185 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nr9 s ASP 186 N -1.05 6.32 0.04 1.61 1.01 -0.41 -4.40 116.67 119.79 1nr9 s ASP 186 Ca 0.00 2.48 0.09 0.00 0.71 0.00 0.00 52.55 55.83 1nr9 s ASP 186 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1nr9 s ASP 186 CO 0.00 -0.83 -0.26 -0.69 0.21 0.00 0.00 175.17 173.61 1nr9 s VAL 187 N -1.37 2.20 -0.05 -1.27 1.01 -0.85 -1.47 120.40 118.61 1nr9 s VAL 187 Ca 0.59 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1nr9 s VAL 187 Cb -0.34 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1nr9 s VAL 187 CO 0.42 0.38 -0.14 0.54 0.00 0.00 0.00 175.10 176.30 1nr9 s VAL 188 N -0.80 1.21 -0.21 2.92 0.11 -0.94 -1.62 120.40 121.08 1nr9 s VAL 188 Ca 0.12 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.48 1nr9 s VAL 188 Cb -0.10 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 1nr9 s VAL 188 CO 0.02 0.36 0.19 -0.76 -3.33 0.00 0.00 175.10 171.58 1nr9 s LEU 189 N 0.25 4.18 0.00 2.54 1.43 -0.77 -1.68 118.68 124.63 1nr9 s LEU 189 Ca -0.07 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1nr9 s LEU 189 Cb -0.12 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1nr9 s LEU 189 CO 0.02 0.10 0.57 0.35 0.23 0.00 0.00 176.35 177.63 1nr9 n THR 190 N 3.87 0.00 -0.03 5.49 -2.24 -1.02 -2.76 114.28 117.58 1nr9 n THR 190 Ca -0.14 1.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.68 1nr9 n THR 190 Cb 0.52 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1nr9 n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nr9 n GLY 191 N 0.21 -1.18 3.16 3.38 0.00 -1.26 -3.82 105.19 105.68 1nr9 n GLY 191 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1nr9 n GLY 191 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nr9 s THR 192 N -2.01 1.29 0.00 2.61 -1.32 -1.26 -4.29 115.64 110.66 1nr9 s THR 192 Ca 0.00 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1nr9 s THR 192 Cb 0.00 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1nr9 s THR 192 CO 0.00 0.21 0.00 -2.65 -2.21 0.00 0.00 174.62 169.97 1nr9 n PRO 193 N 2.26 -1.35 -2.33 7.08 -0.02 -1.26 -4.43 135.00 134.95 1nr9 n PRO 193 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.07 1nr9 n PRO 193 Cb 0.54 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.09 1nr9 n PRO 193 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1nr9 s ASP 194 N -1.68 4.83 0.00 2.55 -4.77 -1.26 -4.58 116.67 111.75 1nr9 s ASP 194 Ca 0.00 0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 1nr9 s ASP 194 Cb 0.00 -0.94 0.00 0.00 -1.09 0.00 0.00 42.92 40.89 1nr9 s ASP 194 CO 0.00 -1.55 0.00 0.61 0.70 0.00 0.00 175.17 174.93 1nr9 n GLY 195 N -2.81 1.07 3.58 2.12 0.00 -1.26 -4.56 105.19 103.34 1nr9 n GLY 195 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.60 1nr9 n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nr9 n VAL 196 N -0.34 0.32 -3.93 1.61 0.31 -1.26 -4.58 118.33 110.46 1nr9 n VAL 196 Ca 0.00 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 1nr9 n VAL 196 Cb 0.00 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 32.12 1nr9 n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nr9 n GLY 197 N 2.31 2.22 3.80 2.92 0.00 -1.26 -4.98 105.19 110.19 1nr9 n GLY 197 Ca 0.17 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1nr9 n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nr9 s PRO 198 N -2.59 1.89 -0.07 1.61 0.02 -1.26 -1.49 135.00 133.11 1nr9 s PRO 198 Ca 0.22 0.59 -0.03 0.00 0.02 0.00 0.00 61.00 61.80 1nr9 s PRO 198 Cb -0.01 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.65 1nr9 s PRO 198 CO 0.16 -1.74 0.12 -0.51 -0.33 0.00 0.00 177.00 174.70 1nr9 s LEU 199 N -5.84 0.01 0.43 -5.54 1.43 -0.12 -4.76 118.68 104.30 1nr9 s LEU 199 Ca 0.61 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1nr9 s LEU 199 Cb -0.15 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1nr9 s LEU 199 CO 0.54 -0.25 0.15 -1.10 0.23 0.00 0.00 176.35 175.92 1nr9 s GLN 200 N 2.24 2.17 0.54 1.70 -0.21 -1.26 -4.56 119.66 120.28 1nr9 s GLN 200 Ca 0.04 -1.96 -0.22 0.00 0.02 0.00 0.00 55.36 53.24 1nr9 s GLN 200 Cb -0.12 -1.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 1nr9 s GLN 200 CO -0.05 -0.16 1.33 0.43 -2.12 0.00 0.00 175.29 174.71 1nr9 n SER 201 N -1.23 2.56 0.00 5.90 7.64 -1.26 -2.49 113.62 124.74 1nr9 n SER 201 Ca -0.04 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1nr9 n SER 201 Cb 0.65 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1nr9 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nr9 n GLY 202 N 0.79 3.26 3.72 0.23 0.00 -0.22 -5.00 105.19 107.98 1nr9 n GLY 202 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1nr9 n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nr9 n ASP 203 N 0.00 2.73 -4.52 1.61 8.00 -1.04 -4.73 116.55 118.60 1nr9 n ASP 203 Ca 0.00 1.08 -0.39 0.00 0.71 0.00 0.00 54.79 56.20 1nr9 n ASP 203 Cb 0.00 -1.54 -0.11 0.00 -0.02 0.00 0.00 41.12 39.45 1nr9 n ASP 203 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nr9 s GLU 204 N -2.40 3.65 -0.10 -1.24 0.41 -1.26 -1.83 118.70 115.93 1nr9 s GLU 204 Ca 0.63 -0.52 0.02 0.00 -0.41 0.00 0.00 54.97 54.69 1nr9 s GLU 204 Cb -0.47 -3.63 -0.02 0.00 -1.78 0.00 0.00 34.13 28.23 1nr9 s GLU 204 CO 0.56 -0.30 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.71 1nr9 s LEU 205 N 1.70 2.63 -0.17 1.80 2.96 0.19 0.30 118.68 128.08 1nr9 s LEU 205 Ca 0.06 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1nr9 s LEU 205 Cb -0.16 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1nr9 s LEU 205 CO 0.09 0.22 0.00 0.28 -1.32 0.00 0.00 176.35 175.62 1nr9 s THR 206 N 0.02 0.71 0.01 3.68 -1.32 -0.13 0.96 115.64 119.58 1nr9 s THR 206 Ca -0.05 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1nr9 s THR 206 Cb -0.15 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 1nr9 s THR 206 CO 0.04 -0.06 0.07 0.54 -2.21 0.00 0.00 174.62 173.01 1nr9 s VAL 207 N 1.79 4.64 -0.01 5.08 0.11 -0.38 -0.61 120.40 131.02 1nr9 s VAL 207 Ca -0.00 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1nr9 s VAL 207 Cb -0.16 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1nr9 s VAL 207 CO -0.07 0.31 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.05 1nr9 s THR 208 N -1.22 0.56 -0.27 5.04 2.01 0.10 -2.15 115.64 119.71 1nr9 s THR 208 Ca 0.24 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1nr9 s THR 208 Cb -0.12 -0.49 0.09 0.00 0.01 0.00 0.00 72.50 71.99 1nr9 s THR 208 CO 0.15 0.17 0.10 0.12 -0.69 0.00 0.00 174.62 174.47 1nr9 s PHE 209 N -0.01 1.00 0.00 4.92 5.36 -0.45 -0.95 117.98 127.85 1nr9 s PHE 209 Ca 0.01 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 1nr9 s PHE 209 Cb -0.04 -1.23 0.00 0.00 -0.34 0.00 0.00 43.02 41.40 1nr9 s PHE 209 CO -0.00 -0.79 0.00 -3.47 -1.46 0.00 0.00 175.22 169.50 1nr9 n ASP 210 N 5.05 -1.35 0.00 6.13 -0.08 -0.60 -2.11 116.55 123.59 1nr9 n ASP 210 Ca -0.05 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1nr9 n ASP 210 Cb 0.43 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1nr9 n ASP 210 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nr9 n GLY 211 N 1.21 2.95 3.20 0.27 0.00 -1.26 -4.95 105.19 106.61 1nr9 n GLY 211 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nr9 n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nr9 s HIS 212 N -2.21 2.24 0.28 1.61 3.76 -0.90 -5.13 115.29 114.94 1nr9 s HIS 212 Ca 0.00 -0.78 0.11 0.00 -0.15 0.00 0.00 55.06 54.24 1nr9 s HIS 212 Cb 0.00 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1nr9 s HIS 212 CO 0.00 -0.29 -0.17 0.45 -0.85 0.00 0.00 174.74 173.88 1nr9 s SER 213 N 0.14 3.47 -0.20 1.40 0.15 -1.26 -1.34 113.70 116.06 1nr9 s SER 213 Ca -0.10 -1.07 -0.27 0.00 0.70 0.00 0.00 55.95 55.21 1nr9 s SER 213 Cb -0.15 -0.28 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 1nr9 s SER 213 CO 0.05 -0.04 0.75 -0.22 1.20 0.00 0.00 173.24 174.98 1nr9 s LEU 214 N -3.50 -0.68 0.04 3.45 0.20 -0.91 -5.02 118.68 112.26 1nr9 s LEU 214 Ca 0.30 1.12 0.03 0.00 0.69 0.00 0.00 54.13 56.26 1nr9 s LEU 214 Cb -0.03 2.41 -0.02 0.00 -0.43 0.00 0.00 46.19 48.12 1nr9 s LEU 214 CO 0.14 -0.36 -0.10 -0.89 -0.29 0.00 0.00 176.35 174.85 1nr9 s THR 215 N -0.20 0.74 0.00 3.68 2.01 -1.26 -1.25 115.64 119.36 1nr9 s THR 215 Ca -0.03 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.92 1nr9 s THR 215 Cb -0.03 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1nr9 s THR 215 CO 0.03 -0.26 0.00 1.07 -0.69 0.00 0.00 174.62 174.78 1nr9 n THR 216 N 1.60 0.00 -4.08 -0.82 5.66 0.27 -4.91 114.28 112.00 1nr9 n THR 216 Ca -0.21 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.67 1nr9 n THR 216 Cb 0.55 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.27 1nr9 n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nr9 s ARG 217 N -1.34 1.67 -0.19 1.09 1.70 -1.26 0.54 118.95 121.15 1nr9 s ARG 217 Ca 0.00 -1.56 -0.07 0.00 -0.47 0.00 0.00 55.73 53.63 1nr9 s ARG 217 Cb 0.00 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1nr9 s ARG 217 CO 0.00 -0.68 0.05 0.08 -1.08 0.00 0.00 175.30 173.68 1nr9 s VAL 218 N -3.56 4.59 -1.73 4.99 1.01 -0.76 -0.05 120.40 124.88 1nr9 s VAL 218 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1nr9 s VAL 218 Cb 0.01 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1nr9 s VAL 218 CO 0.15 0.43 0.43 0.18 0.00 0.00 0.00 175.10 176.30