#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9y s GLU 18 N 0.00 2.18 -0.28 -2.82 -1.05 -1.26 -5.07 118.70 110.40 2i9y s GLU 18 Ca 0.00 -2.09 -0.17 0.00 -0.15 0.00 0.00 54.97 52.55 2i9y s GLU 18 Cb 0.00 -1.81 0.09 0.00 -0.44 0.00 0.00 34.13 31.98 2i9y s GLU 18 CO 0.00 -0.28 0.76 0.00 0.95 0.00 0.00 175.26 176.70 2i9y s ALA 19 N -2.74 -1.95 0.49 -0.84 0.00 -1.26 -5.01 121.76 110.45 2i9y s ALA 19 Ca 0.28 2.33 0.18 0.00 0.00 0.00 0.00 51.96 54.74 2i9y s ALA 19 Cb 0.03 -1.46 1.23 0.00 0.00 0.00 0.00 23.12 22.92 2i9y s ALA 19 CO 0.16 -0.36 2.08 0.66 0.00 0.00 0.00 175.76 178.29 2i9y h SER 20 N 6.52 0.00 0.49 0.00 4.64 -2.01 -0.64 113.55 122.54 2i9y h SER 20 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2i9y h SER 20 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2i9y h SER 20 CO 0.15 0.09 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 2i9y n SER 21 N -4.29 0.00 -0.39 4.97 7.64 -1.26 -4.88 113.62 115.41 2i9y n SER 21 Ca -0.03 -0.04 -0.05 0.00 1.01 0.00 0.00 58.87 59.76 2i9y n SER 21 Cb 0.17 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 2i9y n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2i9y n LEU 22 N -1.30 0.23 -4.79 -3.43 4.77 -0.25 -4.95 117.00 107.28 2i9y n LEU 22 Ca 0.11 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.88 2i9y n LEU 22 Cb 0.20 -2.27 -0.02 0.00 -2.33 0.00 0.00 43.42 39.00 2i9y n LEU 22 CO 0.19 -0.86 0.74 0.54 -1.33 0.00 0.00 177.39 176.66 2i9y s VAL 23 N -1.59 3.60 -0.08 4.08 0.11 -1.26 -0.35 120.40 124.91 2i9y s VAL 23 Ca 0.00 0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2i9y s VAL 23 Cb 0.00 -3.39 0.05 0.00 -1.53 0.00 0.00 36.38 31.50 2i9y s VAL 23 CO 0.00 -0.24 0.18 -0.83 -3.33 0.00 0.00 175.10 170.88 2i9y s GLY 24 N -1.99 -0.02 0.13 6.54 0.00 -0.18 -4.71 107.32 107.08 2i9y s GLY 24 Ca 0.69 0.70 0.05 0.00 0.00 0.00 0.00 44.72 46.16 2i9y s GLY 24 CO 0.24 1.39 -0.12 0.54 0.00 0.00 0.00 173.10 175.15 2i9y s LYS 25 N 1.75 1.00 -0.19 2.90 1.02 -1.26 -0.04 119.74 124.92 2i9y s LYS 25 Ca -0.03 -1.28 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 2i9y s LYS 25 Cb -0.12 -0.76 0.06 0.00 -0.52 0.00 0.00 37.83 36.49 2i9y s LYS 25 CO -0.06 0.13 0.47 -1.17 -0.92 0.00 0.00 175.35 173.79 2i9y s LEU 26 N -2.65 -0.10 -0.05 3.17 2.96 0.37 -4.98 118.68 117.39 2i9y s LEU 26 Ca 0.10 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 2i9y s LEU 26 Cb -0.03 1.58 0.01 0.00 0.50 0.00 0.00 46.19 48.25 2i9y s LEU 26 CO 0.02 -0.19 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.15 2i9y s GLU 27 N 1.03 1.31 0.17 1.98 2.02 -1.26 -0.21 118.70 123.73 2i9y s GLU 27 Ca -0.06 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 2i9y s GLU 27 Cb -0.06 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 33.00 2i9y s GLU 27 CO -0.09 0.06 0.24 -0.08 0.02 0.00 0.00 175.26 175.41 2i9y s THR 28 N 0.47 0.06 -0.06 3.63 -1.32 -0.96 -5.02 115.64 112.45 2i9y s THR 28 Ca -0.09 -1.56 -0.01 0.00 -1.21 0.00 0.00 61.69 58.82 2i9y s THR 28 Cb -0.13 -1.98 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 2i9y s THR 28 CO 0.02 -0.28 0.01 1.51 -2.21 0.00 0.00 174.62 173.67 2i9y s ASP 29 N -3.01 1.26 -0.05 8.08 -4.77 -1.26 -0.50 116.67 116.41 2i9y s ASP 29 Ca 0.21 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.42 2i9y s ASP 29 Cb 0.04 -0.35 -0.03 0.00 -1.09 0.00 0.00 42.92 41.49 2i9y s ASP 29 CO 0.02 -0.18 -0.02 -0.69 0.70 0.00 0.00 175.17 175.00 2i9y s VAL 30 N 1.76 4.06 -0.05 2.11 1.01 -0.74 -4.90 120.40 123.65 2i9y s VAL 30 Ca 0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2i9y s VAL 30 Cb -0.13 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2i9y s VAL 30 CO -0.04 0.53 0.36 -1.61 0.00 0.00 0.00 175.10 174.35 2i9y s GLU 31 N -1.07 3.95 0.11 2.72 8.01 -1.26 -0.05 118.70 131.10 2i9y s GLU 31 Ca 0.15 0.30 0.05 0.00 0.01 0.00 0.00 54.97 55.48 2i9y s GLU 31 Cb -0.11 -3.27 -0.04 0.00 -4.31 0.00 0.00 34.13 26.40 2i9y s GLU 31 CO 0.04 0.58 0.00 0.96 0.01 0.00 0.00 175.26 176.86 2i9y s ILE 32 N -0.67 3.98 -1.44 -1.63 -4.36 -0.08 -4.95 121.20 112.05 2i9y s ILE 32 Ca 0.22 -1.06 0.28 0.00 -0.26 0.00 0.00 60.65 59.83 2i9y s ILE 32 Cb -0.15 -2.92 0.36 0.00 1.25 0.00 0.00 42.46 41.00 2i9y s ILE 32 CO 0.10 0.07 1.82 0.29 0.24 0.00 0.00 174.94 177.47 2i9y n LYS 33 N 0.42 0.46 -2.59 0.37 5.02 -1.26 -2.34 118.16 118.24 2i9y n LYS 33 Ca -0.11 -0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 55.82 2i9y n LYS 33 Cb 0.52 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.08 2i9y n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9y s ALA 34 N -2.64 3.81 0.31 7.82 0.00 -1.26 -3.29 121.76 126.51 2i9y s ALA 34 Ca 0.24 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2i9y s ALA 34 Cb 0.20 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2i9y s ALA 34 CO 0.51 -0.82 0.57 -1.54 0.00 0.00 0.00 175.76 174.49 2i9y s SER 35 N -4.44 6.41 0.44 0.00 1.04 -1.26 -0.54 113.70 115.36 2i9y s SER 35 Ca 0.58 0.70 0.20 0.00 0.48 0.00 0.00 55.95 57.91 2i9y s SER 35 Cb -0.10 -2.14 1.05 0.00 0.10 0.00 0.00 66.02 64.93 2i9y s SER 35 CO 0.39 -0.24 1.93 0.00 0.98 0.00 0.00 173.24 176.30 2i9y h ALA 36 N 1.41 1.30 0.00 5.32 0.00 -1.91 -2.10 119.26 123.29 2i9y h ALA 36 Ca -0.48 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 2i9y h ALA 36 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2i9y h ALA 36 CO 0.65 0.30 -0.35 0.22 0.00 0.00 0.00 179.25 180.07 2i9y h ASP 37 N 0.00 0.00 0.52 0.00 3.58 -1.93 -1.93 116.42 116.66 2i9y h ASP 37 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2i9y h ASP 37 Cb 0.53 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2i9y h ASP 37 CO 0.03 0.35 -0.48 0.11 -2.88 0.00 0.00 179.24 176.37 2i9y h LYS 38 N 0.00 0.00 -0.38 0.28 1.57 -1.77 0.17 116.57 116.44 2i9y h LYS 38 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2i9y h LYS 38 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2i9y h LYS 38 CO 0.05 0.48 0.06 0.35 -0.57 0.00 0.00 179.45 179.82 2i9y h PHE 39 N 0.00 0.67 -0.98 -1.35 3.04 -1.42 0.73 116.94 117.63 2i9y h PHE 39 Ca -0.00 -0.09 0.06 0.00 3.98 0.00 0.00 57.97 61.91 2i9y h PHE 39 Cb 0.88 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 39.14 2i9y h PHE 39 CO 0.00 0.68 0.64 1.25 -2.02 0.00 0.00 178.31 178.85 2i9y h HIS 40 N 0.47 1.17 0.02 0.41 2.76 -0.81 -2.91 115.15 116.25 2i9y h HIS 40 Ca 0.11 0.03 -0.21 0.00 -2.20 0.00 0.00 60.37 58.11 2i9y h HIS 40 Cb 0.37 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2i9y h HIS 40 CO 0.03 0.61 -0.93 0.45 -1.30 0.00 0.00 177.93 176.79 2i9y h HIS 41 N 1.15 0.24 0.00 5.26 3.86 -0.17 -3.31 115.15 122.18 2i9y h HIS 41 Ca 0.42 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 2i9y h HIS 41 Cb 0.16 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 2i9y h HIS 41 CO -0.00 1.00 -0.10 0.00 0.86 0.00 0.00 177.93 179.68 2i9y h MET 42 N 0.08 0.00 0.00 2.45 -0.00 -0.66 -0.92 114.93 115.88 2i9y h MET 42 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2i9y h MET 42 Cb 1.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.19 2i9y h MET 42 CO 0.14 0.10 -0.00 0.35 -0.00 0.00 0.00 176.91 177.49 2i9y h PHE 43 N 0.00 0.00 -0.63 -0.10 3.57 -1.65 -0.77 116.94 117.36 2i9y h PHE 43 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2i9y h PHE 43 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2i9y h PHE 43 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 2i9y n ALA 44 N -2.09 2.98 0.00 2.41 0.00 -0.35 -4.82 120.51 118.63 2i9y n ALA 44 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 2i9y n ALA 44 Cb 0.24 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2i9y n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i9y n GLY 45 N 1.08 -0.04 3.77 0.00 0.00 -0.93 -5.13 105.19 103.93 2i9y n GLY 45 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 2i9y n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9y s LYS 46 N -1.90 4.31 0.96 1.61 3.01 -0.34 -5.02 119.74 122.37 2i9y s LYS 46 Ca 0.00 2.00 -0.12 0.00 -1.01 0.00 0.00 55.97 56.85 2i9y s LYS 46 Cb 0.00 -2.96 0.17 0.00 -1.01 0.00 0.00 37.83 34.02 2i9y s LYS 46 CO 0.00 -0.15 1.09 -1.25 0.51 0.00 0.00 175.35 175.55 2i9y s PRO 47 N -1.89 0.71 0.00 -1.68 0.04 -1.26 -4.60 135.00 126.32 2i9y s PRO 47 Ca 0.51 0.89 0.26 0.00 0.04 0.00 0.00 61.00 62.69 2i9y s PRO 47 Cb -0.35 -1.74 0.73 0.00 0.04 0.00 0.00 34.50 33.18 2i9y s PRO 47 CO 0.46 -2.63 1.57 1.58 0.04 0.00 0.00 177.00 178.01 2i9y n HIS 48 N -4.16 0.00 -4.06 0.56 -0.00 -1.26 -4.85 115.22 101.44 2i9y n HIS 48 Ca 0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.12 2i9y n HIS 48 Cb 0.55 -0.29 -0.11 0.00 -0.12 0.00 0.00 29.99 30.02 2i9y n HIS 48 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2i9y s HIS 49 N -2.93 0.64 -0.06 1.57 5.65 -1.26 -4.96 115.29 113.94 2i9y s HIS 49 Ca 0.14 -0.56 -0.35 0.00 0.25 0.00 0.00 55.06 54.54 2i9y s HIS 49 Cb 0.18 -0.39 -0.13 0.00 -1.18 0.00 0.00 32.58 31.06 2i9y s HIS 49 CO 0.63 -0.11 1.75 1.33 -0.65 0.00 0.00 174.74 177.70 2i9y n VAL 50 N 1.31 0.37 -3.58 0.89 0.24 -1.26 -4.94 118.33 111.36 2i9y n VAL 50 Ca -0.22 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.61 2i9y n VAL 50 Cb 0.55 -1.61 -0.10 0.00 -1.47 0.00 0.00 33.84 31.21 2i9y n VAL 50 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2i9y s SER 51 N 3.06 5.72 -0.19 -1.34 0.15 -1.26 -4.83 113.70 115.00 2i9y s SER 51 Ca 0.90 -1.31 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 2i9y s SER 51 Cb -0.78 -2.02 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 2i9y s SER 51 CO 0.51 -0.49 0.99 -0.75 1.20 0.00 0.00 173.24 174.70 2i9y s LYS 52 N 1.49 0.59 -1.22 5.44 2.20 -1.26 -5.08 119.74 121.89 2i9y s LYS 52 Ca 0.03 0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.73 2i9y s LYS 52 Cb -0.22 0.28 0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2i9y s LYS 52 CO 0.04 -0.15 1.65 0.00 -0.36 0.00 0.00 175.35 176.52 2i9y s ALA 53 N -0.71 3.22 -0.01 3.13 0.00 -1.26 -3.72 121.76 122.40 2i9y s ALA 53 Ca -0.01 -2.79 0.01 0.00 0.00 0.00 0.00 51.96 49.17 2i9y s ALA 53 Cb -0.02 -4.58 0.01 0.00 0.00 0.00 0.00 23.12 18.53 2i9y s ALA 53 CO -0.00 -3.34 -0.01 -1.12 0.00 0.00 0.00 175.76 171.29 2i9y s SER 54 N 4.31 0.30 0.61 0.00 0.01 -1.26 -4.99 113.70 112.67 2i9y s SER 54 Ca 0.51 -0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 2i9y s SER 54 Cb 0.03 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2i9y s SER 54 CO 0.03 -0.03 1.14 -0.81 0.41 0.00 0.00 173.24 173.99 2i9y n PRO 55 N 3.49 1.10 0.00 12.44 -0.04 -1.26 -4.34 135.00 146.38 2i9y n PRO 55 Ca -0.19 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2i9y n PRO 55 Cb 0.55 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2i9y n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9y n GLY 56 N 1.08 0.41 2.62 0.55 0.00 -1.26 -4.98 105.19 103.61 2i9y n GLY 56 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2i9y n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i9y n ASN 57 N 0.00 -0.79 -0.20 1.61 0.23 -1.26 -4.77 115.26 110.08 2i9y n ASN 57 Ca 0.00 -2.65 0.16 0.00 -0.53 0.00 0.00 54.58 51.55 2i9y n ASN 57 Cb 0.00 1.64 0.49 0.00 -2.08 0.00 0.00 39.78 39.83 2i9y n ASN 57 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2i9y h ILE 58 N 1.84 0.77 0.00 1.53 3.07 -1.99 -2.81 117.51 119.93 2i9y h ILE 58 Ca -0.20 -0.15 -0.34 0.00 1.55 0.00 0.00 64.86 65.71 2i9y h ILE 58 Cb 0.96 0.29 -0.06 0.00 -0.27 0.00 0.00 36.82 37.73 2i9y h ILE 58 CO 0.28 0.08 -2.30 0.00 -1.05 0.00 0.00 178.15 175.16 2i9y n GLN 59 N -4.49 0.79 0.00 0.16 6.02 -1.26 -5.00 117.38 113.59 2i9y n GLN 59 Ca 0.16 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 2i9y n GLN 59 Cb 0.56 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.35 2i9y n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i9y n GLY 60 N 2.14 2.01 3.70 1.08 0.00 -1.06 -4.81 105.19 108.25 2i9y n GLY 60 Ca -0.36 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2i9y n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9y s ASP 62 N -1.92 5.50 -0.16 0.00 1.01 -1.26 -4.94 116.67 114.89 2i9y s ASP 62 Ca 0.23 0.02 -0.07 0.00 0.71 0.00 0.00 52.55 53.44 2i9y s ASP 62 Cb -0.12 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2i9y s ASP 62 CO 0.15 -2.26 0.07 -0.22 0.21 0.00 0.00 175.17 173.11 2i9y s LEU 63 N 8.29 3.89 -0.20 1.23 2.96 -1.26 -4.77 118.68 128.81 2i9y s LEU 63 Ca 0.59 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2i9y s LEU 63 Cb -0.11 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2i9y s LEU 63 CO 0.17 0.24 0.01 1.57 -1.32 0.00 0.00 176.35 177.01 2i9y n HIS 64 N 3.12 -2.63 -4.11 5.38 -0.00 -1.26 -5.04 115.22 110.68 2i9y n HIS 64 Ca -0.17 1.17 -0.33 0.00 0.46 0.00 0.00 57.72 58.84 2i9y n HIS 64 Cb 0.53 -3.16 -0.07 0.00 -0.12 0.00 0.00 29.99 27.17 2i9y n HIS 64 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2i9y s GLU 65 N -1.09 3.04 0.00 1.57 1.03 -1.26 -5.00 118.70 117.00 2i9y s GLU 65 Ca 0.00 -0.50 0.00 0.00 0.03 0.00 0.00 54.97 54.51 2i9y s GLU 65 Cb -0.00 -2.84 0.00 0.00 -0.80 0.00 0.00 34.13 30.49 2i9y s GLU 65 CO 0.52 0.64 0.00 0.41 -1.33 0.00 0.00 175.26 175.50 2i9y n GLY 66 N 1.19 0.00 0.75 -3.83 0.00 -1.26 -5.14 105.19 96.90 2i9y n GLY 66 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2i9y n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2i9y n ASP 67 N -1.75 -4.07 -1.06 1.61 2.03 -1.26 -4.83 116.55 107.21 2i9y n ASP 67 Ca 0.00 0.88 0.08 0.00 0.52 0.00 0.00 54.79 56.27 2i9y n ASP 67 Cb 0.34 -1.90 0.26 0.00 -0.72 0.00 0.00 41.12 39.11 2i9y n ASP 67 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2i9y n TRP 68 N -1.97 1.02 -0.08 -0.67 7.02 -1.26 -4.86 117.44 116.63 2i9y n TRP 68 Ca 0.00 -0.69 0.00 0.00 -1.02 0.00 0.00 57.50 55.79 2i9y n TRP 68 Cb 0.22 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2i9y n TRP 68 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i9y n GLY 69 N 0.29 0.95 5.00 6.99 0.00 -1.26 -4.61 105.19 112.55 2i9y n GLY 69 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2i9y n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2i9y n THR 70 N -2.08 0.00 -2.28 2.61 -1.04 -1.26 -4.82 114.28 105.40 2i9y n THR 70 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2i9y n THR 70 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2i9y n THR 70 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2i9y s VAL 71 N 0.00 4.04 0.00 12.58 1.01 -1.26 -1.76 120.40 135.02 2i9y s VAL 71 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2i9y s VAL 71 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2i9y s VAL 71 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2i9y n GLY 72 N 3.80 0.56 3.79 4.51 0.00 -0.14 -4.93 105.19 112.79 2i9y n GLY 72 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2i9y n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i9y s SER 73 N -2.54 5.69 -0.16 1.61 0.15 -0.72 -4.62 113.70 113.11 2i9y s SER 73 Ca 0.00 1.88 -0.00 0.00 0.70 0.00 0.00 55.95 58.52 2i9y s SER 73 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2i9y s SER 73 CO 0.00 -1.23 -0.07 -0.63 1.20 0.00 0.00 173.24 172.51 2i9y s ILE 74 N -2.37 1.16 0.32 6.45 1.01 -1.26 -0.74 121.20 125.76 2i9y s ILE 74 Ca 0.65 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2i9y s ILE 74 Cb -0.17 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 2i9y s ILE 74 CO 0.36 0.20 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 2i9y s VAL 75 N 1.62 1.94 0.04 2.92 1.01 -1.26 -5.03 120.40 121.64 2i9y s VAL 75 Ca 0.02 -2.16 0.06 0.00 0.00 0.00 0.00 61.98 59.90 2i9y s VAL 75 Cb -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2i9y s VAL 75 CO -0.08 -0.24 -0.18 -0.36 0.00 0.00 0.00 175.10 174.24 2i9y s PHE 76 N -2.81 1.59 0.11 5.22 0.08 -1.26 -3.73 117.98 117.18 2i9y s PHE 76 Ca 0.31 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.05 2i9y s PHE 76 Cb 0.03 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 2i9y s PHE 76 CO 0.14 0.07 0.06 -1.58 -0.10 0.00 0.00 175.22 173.81 2i9y s TRP 77 N -0.79 3.09 -0.06 0.36 0.51 -0.96 -4.75 118.94 116.34 2i9y s TRP 77 Ca 0.05 0.01 0.02 0.00 -2.12 0.00 0.00 56.10 54.06 2i9y s TRP 77 Cb -0.08 -1.55 0.01 0.00 -0.81 0.00 0.00 33.47 31.04 2i9y s TRP 77 CO 0.01 0.51 -0.12 -0.80 -0.51 0.00 0.00 176.95 176.04 2i9y s ASN 78 N -2.56 1.68 0.16 2.95 0.02 -1.26 -1.19 114.94 114.74 2i9y s ASN 78 Ca 0.28 -0.28 -0.15 0.00 -1.02 0.00 0.00 52.86 51.70 2i9y s ASN 78 Cb -0.11 -0.74 0.02 0.00 0.02 0.00 0.00 41.25 40.44 2i9y s ASN 78 CO 0.21 0.04 0.41 -0.72 0.02 0.00 0.00 177.10 177.06 2i9y s TYR 79 N 0.60 -0.04 -0.26 2.20 1.13 -0.61 -4.93 117.35 115.44 2i9y s TYR 79 Ca -0.13 -0.30 -0.08 0.00 -1.41 0.00 0.00 57.07 55.16 2i9y s TYR 79 Cb -0.15 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2i9y s TYR 79 CO 0.03 -0.78 0.08 0.08 -2.51 0.00 0.00 175.55 172.45 2i9y s VAL 80 N -3.86 4.34 -0.03 -3.49 1.01 -1.26 0.55 120.40 117.66 2i9y s VAL 80 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2i9y s VAL 80 Cb 0.01 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.36 2i9y s VAL 80 CO -0.06 0.30 0.04 -2.28 0.00 0.00 0.00 175.10 173.09 2i9y s HIS 81 N 1.61 0.09 -1.80 5.22 5.04 -0.04 -4.75 115.29 120.65 2i9y s HIS 81 Ca 0.06 0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.73 2i9y s HIS 81 Cb -0.15 -0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.11 2i9y s HIS 81 CO 0.04 -0.13 0.00 -0.25 -2.34 0.00 0.00 174.74 172.06 2i9y n ASP 82 N 4.57 -5.82 0.00 9.88 8.00 -1.26 -1.54 116.55 130.38 2i9y n ASP 82 Ca -0.19 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2i9y n ASP 82 Cb 0.50 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 2i9y n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i9y n GLY 83 N -0.96 1.88 3.91 0.44 0.00 -1.26 -5.01 105.19 104.19 2i9y n GLY 83 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2i9y n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i9y s GLU 84 N -0.01 3.45 -0.35 1.61 2.12 -0.59 -5.04 118.70 119.90 2i9y s GLU 84 Ca 0.00 -0.39 -0.26 0.00 0.36 0.00 0.00 54.97 54.68 2i9y s GLU 84 Cb 0.00 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.36 2i9y s GLU 84 CO 0.00 0.62 0.95 0.00 -0.54 0.00 0.00 175.26 176.29 2i9y s ALA 85 N -1.47 3.45 -0.07 6.30 0.00 -1.26 -0.86 121.76 127.84 2i9y s ALA 85 Ca 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 2i9y s ALA 85 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2i9y s ALA 85 CO 0.25 -1.52 0.10 0.15 0.00 0.00 0.00 175.76 174.74 2i9y s LYS 86 N 3.47 3.24 -0.10 0.00 -0.14 0.19 -4.91 119.74 121.49 2i9y s LYS 86 Ca 0.40 -0.31 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 2i9y s LYS 86 Cb -0.12 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.01 2i9y s LYS 86 CO 0.17 0.72 -0.17 0.08 -0.76 0.00 0.00 175.35 175.39 2i9y s VAL 87 N -1.07 2.75 -0.12 3.17 1.01 -1.25 -1.57 120.40 123.32 2i9y s VAL 87 Ca 0.18 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2i9y s VAL 87 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2i9y s VAL 87 CO 0.08 0.55 0.01 0.00 0.00 0.00 0.00 175.10 175.73 2i9y s ALA 88 N 0.10 3.27 -0.18 5.51 0.00 -0.33 -4.92 121.76 125.21 2i9y s ALA 88 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2i9y s ALA 88 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.40 2i9y s ALA 88 CO 0.05 0.45 -0.19 0.15 0.00 0.00 0.00 175.76 176.23 2i9y s LYS 89 N -0.46 3.03 0.30 0.00 1.02 -1.26 -2.27 119.74 120.10 2i9y s LYS 89 Ca 0.08 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.31 2i9y s LYS 89 Cb -0.12 -2.59 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2i9y s LYS 89 CO 0.02 -0.18 0.02 -1.83 -0.92 0.00 0.00 175.35 172.46 2i9y s GLU 90 N 1.24 1.58 -0.06 1.68 -1.05 -1.24 -3.34 118.70 117.50 2i9y s GLU 90 Ca 0.03 -1.85 -0.01 0.00 -0.15 0.00 0.00 54.97 53.00 2i9y s GLU 90 Cb -0.13 -0.91 0.03 0.00 -0.44 0.00 0.00 34.13 32.67 2i9y s GLU 90 CO -0.11 -0.11 0.01 0.50 0.95 0.00 0.00 175.26 176.50 2i9y s ARG 91 N -3.84 0.42 -0.16 -4.83 6.06 -0.34 -4.34 118.95 111.92 2i9y s ARG 91 Ca 0.33 0.16 -0.29 0.00 -2.50 0.00 0.00 55.73 53.43 2i9y s ARG 91 Cb 0.07 -0.80 -0.00 0.00 0.06 0.00 0.00 34.95 34.28 2i9y s ARG 91 CO 0.14 -0.28 1.05 0.42 -2.50 0.00 0.00 175.30 174.13 2i9y s ILE 92 N 1.85 4.67 -0.13 4.11 1.01 0.08 -0.95 121.20 131.84 2i9y s ILE 92 Ca 0.02 1.97 0.15 0.00 0.00 0.00 0.00 60.65 62.80 2i9y s ILE 92 Cb -0.12 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 37.86 2i9y s ILE 92 CO -0.04 -0.09 0.14 1.21 0.00 0.00 0.00 174.94 176.16 2i9y n GLU 93 N 5.71 1.15 -3.62 2.79 4.07 -0.05 -0.97 120.64 129.72 2i9y n GLU 93 Ca 0.11 -0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 57.03 2i9y n GLU 93 Cb 0.47 -1.42 -0.07 0.00 -0.06 0.00 0.00 31.44 30.37 2i9y n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i9y s ALA 94 N -2.60 -1.83 -0.07 4.31 0.00 -1.25 -4.69 121.76 115.64 2i9y s ALA 94 Ca -0.08 1.90 -0.00 0.00 0.00 0.00 0.00 51.96 53.78 2i9y s ALA 94 Cb 0.06 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.11 2i9y s ALA 94 CO 0.68 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 176.18 2i9y s VAL 95 N 0.11 0.50 -0.35 0.00 1.01 -1.26 -1.16 120.40 119.25 2i9y s VAL 95 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2i9y s VAL 95 Cb -0.04 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.80 2i9y s VAL 95 CO 0.00 0.26 0.10 -1.61 0.00 0.00 0.00 175.10 173.85 2i9y s GLU 96 N 1.61 2.42 0.17 2.72 0.41 0.13 -4.98 118.70 121.18 2i9y s GLU 96 Ca -0.00 -1.37 -0.08 0.00 -0.41 0.00 0.00 54.97 53.11 2i9y s GLU 96 Cb -0.13 -3.41 0.05 0.00 -1.78 0.00 0.00 34.13 28.86 2i9y s GLU 96 CO -0.04 -0.76 1.53 -1.35 -0.49 0.00 0.00 175.26 174.15 2i9y h PRO 97 N 8.12 0.83 0.17 0.39 0.11 -1.95 -0.94 132.00 138.72 2i9y h PRO 97 Ca -0.20 -0.41 -0.30 0.00 0.11 0.00 0.00 66.00 65.20 2i9y h PRO 97 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.19 2i9y h PRO 97 CO 0.61 1.05 -1.33 0.22 -0.21 0.00 0.00 178.00 178.34 2i9y h ASP 98 N 0.69 0.55 0.40 -2.05 3.58 -1.93 -3.27 116.42 114.39 2i9y h ASP 98 Ca 0.07 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2i9y h ASP 98 Cb 0.92 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2i9y h ASP 98 CO 0.08 1.47 -0.22 0.29 -2.88 0.00 0.00 179.24 177.98 2i9y n LYS 99 N -3.58 0.55 -3.62 0.28 5.02 -1.24 -4.93 118.16 110.64 2i9y n LYS 99 Ca -0.11 -0.26 -0.24 0.00 -2.02 0.00 0.00 58.31 55.68 2i9y n LYS 99 Cb 1.05 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.64 2i9y n LYS 99 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2i9y n ASN 100 N -1.00 -5.43 -4.33 4.39 3.02 -0.44 -4.64 115.26 106.84 2i9y n ASN 100 Ca 0.11 -0.59 -0.32 0.00 -0.03 0.00 0.00 54.58 53.76 2i9y n ASN 100 Cb 0.32 -4.87 -0.16 0.00 -0.61 0.00 0.00 39.78 34.46 2i9y n ASN 100 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2i9y s LEU 101 N -7.16 2.24 -0.12 3.41 2.96 -0.69 -1.03 118.68 118.30 2i9y s LEU 101 Ca 0.50 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2i9y s LEU 101 Cb -0.23 -1.42 0.05 0.00 0.50 0.00 0.00 46.19 45.10 2i9y s LEU 101 CO 0.75 0.27 0.27 -0.51 -1.32 0.00 0.00 176.35 175.81 2i9y s ILE 102 N -0.33 -0.11 -0.29 6.68 -1.16 -0.21 0.19 121.20 125.97 2i9y s ILE 102 Ca 0.02 0.16 -0.12 0.00 -0.51 0.00 0.00 60.65 60.20 2i9y s ILE 102 Cb -0.12 -0.42 -0.04 0.00 0.61 0.00 0.00 42.46 42.48 2i9y s ILE 102 CO 0.02 0.07 0.21 -0.89 -2.81 0.00 0.00 174.94 171.54 2i9y s THR 103 N 1.48 5.30 -0.11 4.00 2.01 -0.31 -1.12 115.64 126.88 2i9y s THR 103 Ca -0.08 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 2i9y s THR 103 Cb -0.10 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2i9y s THR 103 CO -0.09 0.19 0.07 -0.36 -0.69 0.00 0.00 174.62 173.74 2i9y s PHE 104 N 1.77 3.36 -0.09 4.92 0.08 0.86 -0.87 117.98 128.02 2i9y s PHE 104 Ca 0.07 0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.47 2i9y s PHE 104 Cb -0.16 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2i9y s PHE 104 CO 0.11 0.54 -0.18 0.50 -0.10 0.00 0.00 175.22 176.09 2i9y s ARG 105 N -0.78 2.36 0.15 0.44 3.00 -0.12 -0.71 118.95 123.29 2i9y s ARG 105 Ca 0.13 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.73 53.92 2i9y s ARG 105 Cb -0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 34.95 32.90 2i9y s ARG 105 CO 0.03 0.08 1.16 0.54 0.00 0.00 0.00 175.30 177.11 2i9y s VAL 106 N 0.58 3.78 -0.09 7.11 0.11 -0.80 -1.20 120.40 129.89 2i9y s VAL 106 Ca -0.15 1.46 0.11 0.00 -2.93 0.00 0.00 61.98 60.46 2i9y s VAL 106 Cb -0.17 -3.93 -0.15 0.00 -1.53 0.00 0.00 36.38 30.60 2i9y s VAL 106 CO 0.05 0.21 0.09 2.30 -3.33 0.00 0.00 175.10 174.42 2i9y n ILE 107 N 2.77 0.62 -1.83 7.04 -5.35 -1.21 -4.88 119.36 116.52 2i9y n ILE 107 Ca 0.05 -0.44 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 2i9y n ILE 107 Cb 0.46 -0.50 -0.02 0.00 -1.74 0.00 0.00 39.64 37.84 2i9y n ILE 107 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2i9y s GLU 108 N -2.41 4.15 0.00 6.28 2.12 -1.26 -4.91 118.70 122.68 2i9y s GLU 108 Ca -0.05 2.52 0.30 0.00 0.36 0.00 0.00 54.97 58.09 2i9y s GLU 108 Cb 0.04 -3.04 1.45 0.00 0.26 0.00 0.00 34.13 32.85 2i9y s GLU 108 CO 0.48 -0.58 1.99 0.41 -0.54 0.00 0.00 175.26 177.03 2i9y n GLY 109 N 2.04 -1.06 0.10 -1.50 0.00 -1.26 -3.76 105.19 99.75 2i9y n GLY 109 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2i9y n GLY 109 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2i9y h ASP 110 N 0.30 0.20 0.96 1.61 1.82 -1.99 -2.19 116.42 117.13 2i9y h ASP 110 Ca 0.00 -0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 56.47 2i9y h ASP 110 Cb 0.27 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2i9y h ASP 110 CO 0.00 0.27 -0.22 -0.07 -1.61 0.00 0.00 179.24 177.61 2i9y h LEU 111 N 0.11 0.00 0.00 2.28 3.38 -1.92 -2.67 115.31 116.49 2i9y h LEU 111 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2i9y h LEU 111 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2i9y h LEU 111 CO -0.01 0.22 0.00 0.23 0.09 0.00 0.00 178.44 178.97 2i9y n MET 112 N -3.37 0.32 0.19 1.13 2.81 -0.86 -0.70 117.12 116.65 2i9y n MET 112 Ca 0.00 0.09 0.08 0.00 -1.81 0.00 0.00 57.70 56.06 2i9y n MET 112 Cb 0.43 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.67 2i9y n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2i9y h LYS 113 N 0.00 0.00 0.00 0.03 1.79 -1.10 -3.37 116.57 113.92 2i9y h LYS 113 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2i9y h LYS 113 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2i9y h LYS 113 CO 0.00 0.27 -0.88 -0.85 -1.08 0.00 0.00 179.45 176.91 2i9y n GLU 114 N -3.23 3.16 -4.65 3.15 0.00 -1.11 -4.97 120.64 112.99 2i9y n GLU 114 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.84 2i9y n GLU 114 Cb 0.57 -0.94 -0.12 0.00 0.00 0.00 0.00 31.44 30.95 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2i9y s TYR 115 N -1.86 2.90 -2.41 -1.84 2.02 0.12 -0.96 117.35 115.32 2i9y s TYR 115 Ca 0.00 -0.17 0.23 0.00 -0.37 0.00 0.00 57.07 56.76 2i9y s TYR 115 Cb 0.00 -1.77 0.71 0.00 -0.40 0.00 0.00 41.96 40.50 2i9y s TYR 115 CO 0.00 0.16 1.54 0.36 -1.57 0.00 0.00 175.55 176.03 2i9y n LYS 116 N 2.68 1.90 -3.64 -0.62 2.85 0.37 -3.68 118.16 118.02 2i9y n LYS 116 Ca -0.18 -1.34 -0.06 0.00 -1.05 0.00 0.00 58.31 55.69 2i9y n LYS 116 Cb 0.53 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 33.40 2i9y n LYS 116 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2i9y s SER 117 N -1.67 -0.27 -0.19 -5.58 0.15 -1.25 -4.94 113.70 99.95 2i9y s SER 117 Ca 0.34 0.52 -0.04 0.00 0.70 0.00 0.00 55.95 57.47 2i9y s SER 117 Cb 0.19 0.57 0.09 0.00 -1.71 0.00 0.00 66.02 65.16 2i9y s SER 117 CO 0.29 -0.09 0.25 0.12 1.20 0.00 0.00 173.24 175.01 2i9y s PHE 118 N 0.22 -0.38 -0.10 3.44 5.36 -1.26 -1.28 117.98 123.98 2i9y s PHE 118 Ca 0.04 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 56.52 2i9y s PHE 118 Cb -0.05 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 2i9y s PHE 118 CO -0.11 -0.56 -0.22 -1.17 -1.46 0.00 0.00 175.22 171.71 2i9y s LEU 119 N 2.37 2.03 -0.07 6.12 2.96 0.93 -1.91 118.68 131.11 2i9y s LEU 119 Ca 0.06 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2i9y s LEU 119 Cb -0.15 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.23 2i9y s LEU 119 CO -0.12 0.13 -0.03 -1.48 -1.32 0.00 0.00 176.35 173.54 2i9y s LEU 120 N 0.47 0.90 -0.12 -0.68 2.34 0.11 -0.27 118.68 121.43 2i9y s LEU 120 Ca -0.16 -0.14 0.01 0.00 0.06 0.00 0.00 54.13 53.89 2i9y s LEU 120 Cb -0.17 -0.53 -0.01 0.00 -0.56 0.00 0.00 46.19 44.91 2i9y s LEU 120 CO 0.07 -0.14 -0.15 -0.89 -1.06 0.00 0.00 176.35 174.17 2i9y s THR 121 N 1.64 2.85 0.08 5.48 2.01 0.24 -0.09 115.64 127.85 2i9y s THR 121 Ca 0.01 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.36 2i9y s THR 121 Cb -0.13 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2i9y s THR 121 CO -0.04 0.53 -0.22 0.27 -0.69 0.00 0.00 174.62 174.47 2i9y s ILE 122 N 0.29 2.52 -0.08 1.82 -4.36 -0.28 -0.36 121.20 120.76 2i9y s ILE 122 Ca -0.12 -1.45 -0.03 0.00 -0.26 0.00 0.00 60.65 58.79 2i9y s ILE 122 Cb -0.16 -2.08 0.04 0.00 1.25 0.00 0.00 42.46 41.51 2i9y s ILE 122 CO 0.06 0.22 0.17 -1.58 0.24 0.00 0.00 174.94 174.06 2i9y s GLN 123 N -1.72 0.11 -0.40 0.37 0.74 -0.82 -1.04 119.66 116.90 2i9y s GLN 123 Ca 0.15 0.44 -0.18 0.00 0.05 0.00 0.00 55.36 55.82 2i9y s GLN 123 Cb -0.10 -0.17 0.01 0.00 1.10 0.00 0.00 33.01 33.85 2i9y s GLN 123 CO 0.06 -0.18 0.48 0.08 -0.55 0.00 0.00 175.29 175.18 2i9y s VAL 124 N 1.36 5.03 -0.11 1.34 1.01 -0.19 -0.13 120.40 128.71 2i9y s VAL 124 Ca -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2i9y s VAL 124 Cb -0.11 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2i9y s VAL 124 CO -0.07 -0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 173.59 2i9y s THR 125 N 2.30 2.58 -1.01 3.92 2.01 0.36 -4.67 115.64 121.14 2i9y s THR 125 Ca 0.15 -0.84 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 2i9y s THR 125 Cb -0.16 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2i9y s THR 125 CO 0.14 0.55 1.89 -2.16 -0.69 0.00 0.00 174.62 174.35 2i9y s PRO 126 N 0.22 2.68 -0.15 4.92 0.04 -1.26 -0.72 135.00 140.72 2i9y s PRO 126 Ca -0.12 -0.67 -0.14 0.00 0.04 0.00 0.00 61.00 60.11 2i9y s PRO 126 Cb -0.16 -5.16 -0.11 0.00 0.04 0.00 0.00 34.50 29.12 2i9y s PRO 126 CO 0.06 -3.41 0.12 -0.22 0.04 0.00 0.00 177.00 173.59 2i9y h LYS 127 N 10.58 0.00 0.24 4.56 3.64 -1.88 -3.42 116.57 130.30 2i9y h LYS 127 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2i9y h LYS 127 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2i9y h LYS 127 CO 1.24 0.44 -0.12 -1.35 -2.27 0.00 0.00 179.45 177.40 2i9y h PRO 128 N -1.00 -0.31 0.00 1.90 0.11 -1.86 -3.49 132.00 127.35 2i9y h PRO 128 Ca -0.10 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2i9y h PRO 128 Cb 0.71 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2i9y h PRO 128 CO -0.06 -0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.13 2i9y n GLY 129 N 0.63 1.14 7.00 -0.55 0.00 -1.26 -5.12 105.19 107.04 2i9y n GLY 129 Ca -0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2i9y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9y n GLY 130 N 0.00 3.22 3.60 -0.02 0.00 -1.26 -4.54 105.19 106.20 2i9y n GLY 130 Ca 0.00 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2i9y n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i9y n PRO 131 N 10.08 2.06 0.00 1.61 -0.04 -1.26 -3.43 135.00 144.02 2i9y n PRO 131 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2i9y n PRO 131 Cb 0.00 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 2i9y n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9y n GLY 132 N 5.63 0.74 3.97 0.55 0.00 0.30 -4.87 105.19 111.51 2i9y n GLY 132 Ca 0.29 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2i9y n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9y s SER 133 N -1.22 6.32 -0.17 1.61 0.01 -0.75 -4.20 113.70 115.29 2i9y s SER 133 Ca 0.00 0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 2i9y s SER 133 Cb 0.00 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2i9y s SER 133 CO 0.00 -0.08 0.05 -0.63 0.41 0.00 0.00 173.24 172.99 2i9y s ILE 134 N -2.00 4.69 -0.31 1.44 -1.09 0.10 -0.91 121.20 123.12 2i9y s ILE 134 Ca 0.34 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.54 2i9y s ILE 134 Cb -0.09 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 2i9y s ILE 134 CO 0.29 0.47 0.36 -0.69 -1.23 0.00 0.00 174.94 174.15 2i9y s VAL 135 N 0.29 5.17 -0.43 2.92 1.01 0.92 -0.49 120.40 129.80 2i9y s VAL 135 Ca 0.03 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2i9y s VAL 135 Cb -0.12 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2i9y s VAL 135 CO 0.01 0.01 0.72 -1.00 0.00 0.00 0.00 175.10 174.84 2i9y s HIS 136 N 2.05 3.04 -0.24 5.22 3.76 0.82 -1.79 115.29 128.14 2i9y s HIS 136 Ca 0.13 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 55.04 2i9y s HIS 136 Cb -0.16 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.01 2i9y s HIS 136 CO 0.11 -0.89 0.35 -1.58 -0.85 0.00 0.00 174.74 171.89 2i9y s TRP 137 N 3.06 3.30 -0.31 1.40 0.52 0.34 -1.95 118.94 125.30 2i9y s TRP 137 Ca 0.27 0.46 -0.05 0.00 0.02 0.00 0.00 56.10 56.80 2i9y s TRP 137 Cb -0.13 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.71 2i9y s TRP 137 CO 0.20 -0.11 0.05 -1.01 0.02 0.00 0.00 176.95 176.10 2i9y s HIS 138 N 1.66 3.21 -0.21 -1.98 3.76 0.51 -2.25 115.29 119.98 2i9y s HIS 138 Ca 0.15 -1.45 -0.04 0.00 -0.15 0.00 0.00 55.06 53.57 2i9y s HIS 138 Cb -0.15 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 2i9y s HIS 138 CO 0.08 -0.71 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.73 2i9y s LEU 139 N 1.38 3.08 -0.06 0.89 1.02 0.70 -0.59 118.68 125.09 2i9y s LEU 139 Ca -0.01 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.85 2i9y s LEU 139 Cb -0.19 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.26 2i9y s LEU 139 CO 0.01 0.02 -0.07 -1.61 0.02 0.00 0.00 176.35 174.72 2i9y s GLU 140 N 1.27 1.15 0.19 1.70 2.02 0.62 -0.48 118.70 125.18 2i9y s GLU 140 Ca 0.03 -0.20 -0.14 0.00 0.02 0.00 0.00 54.97 54.69 2i9y s GLU 140 Cb -0.14 -1.11 0.01 0.00 0.10 0.00 0.00 34.13 32.98 2i9y s GLU 140 CO -0.00 -0.09 0.43 1.52 0.02 0.00 0.00 175.26 177.14 2i9y s TYR 141 N 1.03 0.16 -0.13 1.61 1.13 0.94 -0.05 117.35 122.04 2i9y s TYR 141 Ca -0.09 -0.52 0.02 0.00 -1.41 0.00 0.00 57.07 55.08 2i9y s TYR 141 Cb -0.14 0.20 0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2i9y s TYR 141 CO -0.00 -0.86 -0.20 -2.00 -2.51 0.00 0.00 175.55 169.97 2i9y s GLU 142 N -3.94 2.81 0.12 -3.49 2.56 -0.40 -1.01 118.70 115.35 2i9y s GLU 142 Ca 0.15 -0.78 -0.30 0.00 0.00 0.00 0.00 54.97 54.04 2i9y s GLU 142 Cb 0.01 -2.30 -0.06 0.00 2.00 0.00 0.00 34.13 33.78 2i9y s GLU 142 CO 0.01 -0.04 1.01 0.15 -0.56 0.00 0.00 175.26 175.83 2i9y s LYS 143 N 0.89 4.65 0.00 4.30 3.01 0.53 -0.47 119.74 132.65 2i9y s LYS 143 Ca -0.06 1.54 -0.19 0.00 -1.01 0.00 0.00 55.97 56.25 2i9y s LYS 143 Cb -0.15 -3.35 -0.26 0.00 -1.01 0.00 0.00 37.83 33.06 2i9y s LYS 143 CO -0.02 0.14 1.06 0.82 0.51 0.00 0.00 175.35 177.86 2i9y h ILE 144 N 4.00 1.42 -3.16 2.17 2.04 -1.35 -3.44 117.51 119.19 2i9y h ILE 144 Ca -0.43 -2.23 -0.12 0.00 1.00 0.00 0.00 64.86 63.09 2i9y h ILE 144 Cb 1.21 2.71 -0.19 0.00 -0.74 0.00 0.00 36.82 39.81 2i9y h ILE 144 CO 0.73 0.65 -0.30 -0.55 0.00 0.00 0.00 178.15 178.68 2i9y s SER 145 N -6.91 -0.14 -0.13 1.72 0.15 -1.26 -5.07 113.70 102.05 2i9y s SER 145 Ca -0.13 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 2i9y s SER 145 Cb 0.03 0.30 -0.26 0.00 -1.71 0.00 0.00 66.02 64.39 2i9y s SER 145 CO 0.84 -0.47 0.79 -0.33 1.20 0.00 0.00 173.24 175.28 2i9y h GLU 146 N 3.79 -0.00 0.00 5.44 5.08 -1.91 -3.18 114.58 123.80 2i9y h GLU 146 Ca -0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2i9y h GLU 146 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2i9y h GLU 146 CO 0.41 0.97 -0.01 1.05 -1.00 0.00 0.00 179.01 180.43 2i9y h GLU 147 N -0.97 0.00 0.00 2.33 4.11 -1.99 -0.82 114.58 117.24 2i9y h GLU 147 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2i9y h GLU 147 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2i9y h GLU 147 CO 0.00 0.01 -0.42 0.28 0.07 0.00 0.00 179.01 178.95 2i9y h VAL 148 N 0.00 0.04 -4.29 -1.06 2.07 -1.94 -3.46 116.25 107.61 2i9y h VAL 148 Ca -0.00 -1.07 -0.47 0.00 0.82 0.00 0.00 66.70 65.99 2i9y h VAL 148 Cb 0.19 1.83 0.12 0.00 -1.52 0.00 0.00 31.29 31.91 2i9y h VAL 148 CO 0.00 0.02 0.32 0.00 0.02 0.00 0.00 177.57 177.93 2i9y s ALA 149 N -3.25 1.96 -0.50 1.67 0.00 -0.31 -4.77 121.76 116.55 2i9y s ALA 149 Ca 0.04 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.57 2i9y s ALA 149 Cb 0.07 -3.04 0.19 0.00 0.00 0.00 0.00 23.12 20.35 2i9y s ALA 149 CO 0.72 -2.12 0.69 -2.39 0.00 0.00 0.00 175.76 172.66 2i9y n HIS 150 N -3.66 -3.35 0.19 0.00 1.44 -1.26 -4.99 115.22 103.60 2i9y n HIS 150 Ca 0.07 -1.70 0.18 0.00 -2.01 0.00 0.00 57.72 54.26 2i9y n HIS 150 Cb 0.59 1.30 0.82 0.00 0.12 0.00 0.00 29.99 32.82 2i9y n HIS 150 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2i9y h PRO 151 N 4.98 0.00 -0.55 -1.40 0.11 -1.97 -2.40 132.00 130.77 2i9y h PRO 151 Ca 0.07 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.28 2i9y h PRO 151 Cb 1.07 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 2i9y h PRO 151 CO 0.10 0.00 0.10 1.49 -0.21 0.00 0.00 178.00 179.48 2i9y h GLU 152 N 0.00 0.23 0.01 1.05 4.81 -2.00 -0.87 114.58 117.80 2i9y h GLU 152 Ca 0.10 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 2i9y h GLU 152 Cb 0.60 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2i9y h GLU 152 CO -0.00 0.15 -0.93 1.79 -0.73 0.00 0.00 179.01 179.29 2i9y h THR 153 N 0.24 1.64 -0.73 0.32 1.35 -1.86 -2.58 112.91 111.28 2i9y h THR 153 Ca 0.28 -3.11 -0.04 0.00 -0.55 0.00 0.00 66.41 63.00 2i9y h THR 153 Cb 0.41 2.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.49 2i9y h THR 153 CO -0.37 0.89 0.31 -0.07 -0.25 0.00 0.00 175.52 176.03 2i9y h LEU 154 N 0.01 0.99 -0.62 3.87 3.38 -1.35 0.30 115.31 121.89 2i9y h LEU 154 Ca -0.02 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2i9y h LEU 154 Cb 1.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2i9y h LEU 154 CO 0.12 0.88 -0.44 0.25 0.09 0.00 0.00 178.44 179.34 2i9y h LEU 155 N 1.04 0.62 -0.88 1.67 5.85 -1.12 -2.12 115.31 120.37 2i9y h LEU 155 Ca 0.25 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 2i9y h LEU 155 Cb 0.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2i9y h LEU 155 CO -0.02 0.98 -0.40 1.56 -0.34 0.00 0.00 178.44 180.21 2i9y h GLN 156 N 0.47 0.33 -0.73 1.25 4.20 -1.00 -2.43 115.11 117.20 2i9y h GLN 156 Ca 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2i9y h GLN 156 Cb 0.95 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2i9y h GLN 156 CO 0.09 0.68 0.42 0.35 -0.67 0.00 0.00 178.83 179.70 2i9y h PHE 157 N 0.27 0.97 -0.74 2.96 3.57 -0.05 0.37 116.94 124.29 2i9y h PHE 157 Ca 0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2i9y h PHE 157 Cb 0.83 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2i9y h PHE 157 CO 0.02 0.65 0.37 0.00 -2.23 0.00 0.00 178.31 177.13 2i9y h VAL 159 N 1.03 1.23 -0.69 0.00 2.07 -0.82 0.12 116.25 119.19 2i9y h VAL 159 Ca 0.26 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2i9y h VAL 159 Cb 0.09 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2i9y h VAL 159 CO -0.04 0.27 0.42 -0.33 0.02 0.00 0.00 177.57 177.92 2i9y h GLU 160 N 0.48 0.93 -0.19 1.57 4.39 -0.69 -1.19 114.58 119.86 2i9y h GLU 160 Ca 0.12 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 2i9y h GLU 160 Cb 0.32 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2i9y h GLU 160 CO 0.00 0.65 -0.42 0.28 -1.16 0.00 0.00 179.01 178.36 2i9y h VAL 161 N 0.93 1.31 -0.88 3.13 2.07 -0.93 -2.80 116.25 119.08 2i9y h VAL 161 Ca 0.25 -1.59 0.05 0.00 0.82 0.00 0.00 66.70 66.23 2i9y h VAL 161 Cb -0.05 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2i9y h VAL 161 CO -0.05 0.49 0.56 0.28 0.02 0.00 0.00 177.57 178.87 2i9y h SER 162 N 0.37 0.89 -0.20 0.57 0.02 0.05 0.10 113.55 115.35 2i9y h SER 162 Ca 0.03 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2i9y h SER 162 Cb 0.90 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2i9y h SER 162 CO 0.08 0.58 0.11 0.11 -1.14 0.00 0.00 176.83 176.57 2i9y h LYS 163 N 1.03 0.33 0.09 3.45 1.57 -0.99 0.16 116.57 122.21 2i9y h LYS 163 Ca 0.37 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2i9y h LYS 163 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2i9y h LYS 163 CO -0.16 0.26 -0.04 1.49 -0.57 0.00 0.00 179.45 180.44 2i9y h GLU 164 N 0.33 -0.11 -0.20 3.15 4.57 -1.04 -3.23 114.58 118.05 2i9y h GLU 164 Ca 0.09 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 2i9y h GLU 164 Cb 0.05 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2i9y h GLU 164 CO -0.01 0.41 -0.16 0.97 -1.18 0.00 0.00 179.01 179.04 2i9y h ILE 165 N -0.88 1.32 0.22 2.32 6.09 -0.57 0.22 117.51 126.24 2i9y h ILE 165 Ca -0.01 -1.29 -0.01 0.00 -1.37 0.00 0.00 64.86 62.18 2i9y h ILE 165 Cb 0.58 1.73 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 2i9y h ILE 165 CO 0.02 0.39 -0.12 -0.78 -3.07 0.00 0.00 178.15 174.59 2i9y h ASP 166 N 0.13 -0.29 0.80 2.19 3.58 -0.88 -1.12 116.42 120.83 2i9y h ASP 166 Ca 0.04 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 2i9y h ASP 166 Cb 0.69 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 2i9y h ASP 166 CO 0.04 -0.20 -0.53 -0.33 -2.88 0.00 0.00 179.24 175.34 2i9y h GLU 167 N -0.32 0.00 -0.54 0.28 5.08 -1.57 -0.26 114.58 117.25 2i9y h GLU 167 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2i9y h GLU 167 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2i9y h GLU 167 CO 0.04 0.53 -0.10 1.25 -1.00 0.00 0.00 179.01 179.73 2i9y h HIS 168 N 0.00 1.13 0.09 4.33 2.76 -0.26 0.70 115.15 123.90 2i9y h HIS 168 Ca -0.01 -0.23 -0.28 0.00 -2.20 0.00 0.00 60.37 57.66 2i9y h HIS 168 Cb 1.07 -0.28 0.03 0.00 1.55 0.00 0.00 27.41 29.78 2i9y h HIS 168 CO 0.00 1.04 -1.15 -0.07 -1.30 0.00 0.00 177.93 176.46 2i9y h LEU 169 N 0.90 0.86 -0.02 0.26 3.38 -0.98 -3.32 115.31 116.39 2i9y h LEU 169 Ca 0.14 -0.80 -0.24 0.00 0.09 0.00 0.00 57.88 57.07 2i9y h LEU 169 Cb 0.67 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.16 2i9y h LEU 169 CO 0.05 1.57 -0.93 -0.07 0.09 0.00 0.00 178.44 179.15 2i9y h LEU 170 N 0.26 0.85 2.50 1.67 3.38 -1.04 -3.48 115.31 119.46 2i9y h LEU 170 Ca -0.17 -0.73 -0.38 0.00 0.09 0.00 0.00 57.88 56.69 2i9y h LEU 170 Cb 1.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2i9y h LEU 170 CO 0.22 1.46 -0.50 0.00 0.09 0.00 0.00 178.44 179.72 2i9y n ALA 171 N -2.63 -0.60 -1.76 1.53 0.00 0.24 -4.97 120.51 112.32 2i9y n ALA 171 Ca -0.10 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 2i9y n ALA 171 Cb 0.83 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 18.05 2i9y n ALA 171 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2i9y s GLU 172 N -5.03 3.20 0.00 0.00 -1.05 -1.25 -5.06 118.70 109.50 2i9y s GLU 172 Ca 0.03 1.75 0.01 0.00 -0.15 0.00 0.00 54.97 56.62 2i9y s GLU 172 Cb -0.01 -2.01 0.01 0.00 -0.44 0.00 0.00 34.13 31.67 2i9y s GLU 172 CO 0.04 -1.01 0.54 0.39 0.95 0.00 0.00 175.26 176.17