#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 1.57 0.00 1.09 2.02 -1.26 -4.86 118.70 117.26 2i9y s GLU 18 Ca 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.11 2i9y s GLU 18 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.02 2i9y s GLU 18 CO 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 175.26 174.88 2i9y n ALA 19 N -0.57 0.00 0.10 5.21 0.00 -1.26 -4.73 120.51 119.25 2i9y n ALA 19 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2i9y n ALA 19 Cb 0.65 -0.12 0.13 0.00 0.00 0.00 0.00 19.45 20.11 2i9y n ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i9y h SER 20 N 0.00 0.20 0.43 0.00 4.64 -1.93 -2.51 113.55 114.38 2i9y h SER 20 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2i9y h SER 20 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2i9y h SER 20 CO 0.00 0.77 -0.12 -1.20 -0.87 0.00 0.00 176.83 175.41 2i9y n SER 21 N -3.85 0.41 -0.50 4.97 7.64 -1.26 -3.63 113.62 117.39 2i9y n SER 21 Ca -0.02 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2i9y n SER 21 Cb 0.62 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.05 1.07 -4.73 -3.43 4.77 -0.95 -4.80 117.00 107.88 2i9y n LEU 22 Ca 0.13 -0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 2i9y n LEU 22 Cb 0.28 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2i9y n LEU 22 CO 0.25 0.24 0.90 0.54 -1.33 0.00 0.00 177.39 177.99 2i9y s VAL 23 N -1.15 3.62 0.19 4.08 0.11 -1.24 -1.42 120.40 124.59 2i9y s VAL 23 Ca 0.02 1.30 -0.00 0.00 -2.93 0.00 0.00 61.98 60.37 2i9y s VAL 23 Cb 0.01 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2i9y s VAL 23 CO 0.01 0.18 0.09 -0.83 -3.33 0.00 0.00 175.10 171.22 2i9y s GLY 24 N 0.38 1.33 0.15 6.54 0.00 0.22 -4.97 107.32 110.97 2i9y s GLY 24 Ca 0.55 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.68 2i9y s GLY 24 CO 0.35 -1.43 -0.13 0.54 0.00 0.00 0.00 173.10 172.43 2i9y s LYS 25 N -4.08 1.11 -0.16 2.90 1.02 -1.26 -0.84 119.74 118.42 2i9y s LYS 25 Ca 0.33 -1.39 -0.12 0.00 0.02 0.00 0.00 55.97 54.81 2i9y s LYS 25 Cb 0.07 -0.87 0.05 0.00 -0.52 0.00 0.00 37.83 36.56 2i9y s LYS 25 CO 0.08 0.15 0.42 -1.17 -0.92 0.00 0.00 175.35 173.91 2i9y s LEU 26 N -2.89 0.14 0.02 3.17 2.96 0.76 -4.98 118.68 117.86 2i9y s LEU 26 Ca 0.15 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 2i9y s LEU 26 Cb -0.02 1.40 -0.01 0.00 0.50 0.00 0.00 46.19 48.06 2i9y s LEU 26 CO 0.03 -0.17 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.18 2i9y s GLU 27 N 0.82 0.77 0.18 1.98 2.02 -1.26 0.04 118.70 123.26 2i9y s GLU 27 Ca -0.05 -0.53 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 2i9y s GLU 27 Cb -0.06 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.46 2i9y s GLU 27 CO -0.06 0.19 0.42 -0.08 0.02 0.00 0.00 175.26 175.75 2i9y s THR 28 N -0.59 0.04 -0.05 3.63 -1.32 -0.92 -5.03 115.64 111.39 2i9y s THR 28 Ca 0.01 -1.06 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 2i9y s THR 28 Cb -0.06 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 2i9y s THR 28 CO 0.00 -0.19 -0.05 1.51 -2.21 0.00 0.00 174.62 173.68 2i9y s ASP 29 N -2.92 1.15 0.02 8.08 -4.77 -1.26 -0.56 116.67 116.41 2i9y s ASP 29 Ca 0.13 -0.15 0.06 0.00 -3.30 0.00 0.00 52.55 49.28 2i9y s ASP 29 Cb 0.01 -0.51 -0.03 0.00 -1.09 0.00 0.00 42.92 41.29 2i9y s ASP 29 CO -0.01 -0.06 -0.15 -0.69 0.70 0.00 0.00 175.17 174.97 2i9y s VAL 30 N 0.99 3.05 -0.11 2.11 1.01 -0.59 -4.94 120.40 121.92 2i9y s VAL 30 Ca -0.10 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2i9y s VAL 30 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2i9y s VAL 30 CO -0.00 0.40 0.33 -1.61 0.00 0.00 0.00 175.10 174.22 2i9y s GLU 31 N -1.31 4.10 0.13 2.72 8.01 -1.26 -0.06 118.70 131.03 2i9y s GLU 31 Ca 0.15 0.21 0.04 0.00 0.01 0.00 0.00 54.97 55.38 2i9y s GLU 31 Cb -0.11 -3.35 -0.04 0.00 -4.31 0.00 0.00 34.13 26.32 2i9y s GLU 31 CO 0.05 0.40 0.11 0.96 0.01 0.00 0.00 175.26 176.78 2i9y s ILE 32 N -0.05 4.47 -1.19 -1.63 -4.36 0.36 -4.95 121.20 113.85 2i9y s ILE 32 Ca 0.20 -0.97 0.26 0.00 -0.26 0.00 0.00 60.65 59.87 2i9y s ILE 32 Cb -0.14 -3.23 0.09 0.00 1.25 0.00 0.00 42.46 40.42 2i9y s ILE 32 CO 0.07 -0.02 1.48 0.29 0.24 0.00 0.00 174.94 177.00 2i9y n LYS 33 N -0.02 0.21 -3.02 0.37 5.02 -1.26 -0.78 118.16 118.68 2i9y n LYS 33 Ca -0.09 -0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 55.83 2i9y n LYS 33 Cb 0.53 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.87 3.58 0.44 7.82 0.00 -1.26 -4.16 121.76 125.30 2i9y s ALA 34 Ca 0.15 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 2i9y s ALA 34 Cb 0.18 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 2i9y s ALA 34 CO 0.65 -0.22 1.03 0.45 0.00 0.00 0.00 175.76 177.67 2i9y s SER 35 N -4.10 6.60 0.54 0.00 0.15 -1.26 -3.07 113.70 112.56 2i9y s SER 35 Ca 0.44 1.96 0.29 0.00 0.70 0.00 0.00 55.95 59.33 2i9y s SER 35 Cb -0.10 -2.57 1.52 0.00 -1.71 0.00 0.00 66.02 63.16 2i9y s SER 35 CO 0.40 -0.60 2.10 0.00 1.20 0.00 0.00 173.24 176.34 2i9y h ALA 36 N 2.05 1.28 -0.74 5.45 0.00 -1.96 -2.18 119.26 123.17 2i9y h ALA 36 Ca -0.49 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2i9y h ALA 36 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2i9y h ALA 36 CO 0.61 0.12 0.49 0.22 0.00 0.00 0.00 179.25 180.69 2i9y h ASP 37 N 0.00 0.84 0.00 0.00 1.82 -1.99 -1.32 116.42 115.78 2i9y h ASP 37 Ca -0.00 -0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.48 2i9y h ASP 37 Cb 0.30 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2i9y h ASP 37 CO 0.01 0.61 -0.43 0.11 -1.61 0.00 0.00 179.24 177.93 2i9y h LYS 38 N 1.00 0.53 -0.43 0.28 1.57 -1.78 0.20 116.57 117.93 2i9y h LYS 38 Ca 0.27 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2i9y h LYS 38 Cb -0.11 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2i9y h LYS 38 CO -0.06 0.86 -0.24 0.35 -0.57 0.00 0.00 179.45 179.79 2i9y h PHE 39 N 0.43 1.08 -0.22 -1.35 3.57 -1.41 -2.05 116.94 116.98 2i9y h PHE 39 Ca 0.03 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 2i9y h PHE 39 Cb 0.93 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2i9y h PHE 39 CO 0.04 1.08 -0.10 1.25 -2.23 0.00 0.00 178.31 178.35 2i9y h HIS 40 N 0.76 0.37 -0.41 0.41 2.76 -1.13 -2.70 115.15 115.20 2i9y h HIS 40 Ca 0.09 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2i9y h HIS 40 Cb 0.82 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 2i9y h HIS 40 CO 0.06 0.45 0.07 1.25 -1.30 0.00 0.00 177.93 178.46 2i9y h HIS 41 N 0.33 0.64 0.00 5.26 -0.00 -0.27 -2.36 115.15 118.75 2i9y h HIS 41 Ca 0.07 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2i9y h HIS 41 Cb 0.39 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2i9y h HIS 41 CO 0.01 0.57 -0.24 0.52 -0.00 0.00 0.00 177.93 178.79 2i9y h MET 42 N 0.60 0.00 -0.22 5.26 2.07 -1.09 0.29 114.93 121.84 2i9y h MET 42 Ca 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 2i9y h MET 42 Cb 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 2i9y h MET 42 CO 0.00 0.24 0.00 1.19 1.07 0.00 0.00 176.91 179.41 2i9y n PHE 43 N -3.33 0.28 -0.03 -0.22 3.72 -0.92 -4.42 117.46 112.54 2i9y n PHE 43 Ca 0.01 -0.14 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 2i9y n PHE 43 Cb 0.47 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 2i9y n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2i9y n ALA 44 N 1.06 2.61 -3.00 4.37 0.00 -0.85 -4.90 120.51 119.79 2i9y n ALA 44 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2i9y n ALA 44 Cb 0.51 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 2.66 5.26 3.74 0.00 0.00 0.96 -5.09 105.19 112.72 2i9y n GLY 45 Ca -0.11 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 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 3.09 2.67 -0.10 1.61 3.01 -1.26 -4.62 119.74 124.15 2i9y s LYS 46 Ca 0.00 -1.04 -0.29 0.00 -1.01 0.00 0.00 55.97 53.63 2i9y s LYS 46 Cb 0.00 -2.48 -0.04 0.00 -1.01 0.00 0.00 37.83 34.29 2i9y s LYS 46 CO 0.00 0.45 1.60 -2.14 0.51 0.00 0.00 175.35 175.77 2i9y s PRO 47 N -3.23 4.11 -0.14 -1.68 0.02 -1.26 -4.87 135.00 127.94 2i9y s PRO 47 Ca 0.30 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2i9y s PRO 47 Cb -0.09 -3.97 -0.00 0.00 0.02 0.00 0.00 34.50 30.45 2i9y s PRO 47 CO 0.22 -0.92 -0.16 -1.58 -0.33 0.00 0.00 177.00 174.22 2i9y s HIS 48 N 4.23 2.76 0.46 6.54 2.46 -1.26 -4.97 115.29 125.51 2i9y s HIS 48 Ca 0.71 -0.95 -0.01 0.00 0.47 0.00 0.00 55.06 55.28 2i9y s HIS 48 Cb -0.30 -1.85 -0.01 0.00 -0.13 0.00 0.00 32.58 30.29 2i9y s HIS 48 CO 0.28 -0.41 0.70 -3.38 -2.47 0.00 0.00 174.74 169.46 2i9y s HIS 49 N 0.64 3.27 0.09 3.88 -3.43 -1.26 -5.03 115.29 113.45 2i9y s HIS 49 Ca -0.08 0.33 -0.31 0.00 -0.80 0.00 0.00 55.06 54.19 2i9y s HIS 49 Cb -0.16 -2.34 -0.08 0.00 -1.43 0.00 0.00 32.58 28.58 2i9y s HIS 49 CO 0.02 -0.38 1.47 0.54 -2.00 0.00 0.00 174.74 174.40 2i9y s VAL 50 N -2.60 3.22 0.00 -5.38 0.11 -1.26 -4.67 120.40 109.81 2i9y s VAL 50 Ca 0.48 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 2i9y s VAL 50 Cb -0.10 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 2i9y s VAL 50 CO 0.39 0.04 0.00 -0.24 -3.33 0.00 0.00 175.10 171.96 2i9y n SER 51 N 4.54 0.00 -0.81 3.54 2.88 -1.26 -4.92 113.62 117.60 2i9y n SER 51 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2i9y n SER 51 Cb 0.42 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2i9y n SER 51 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2i9y n LYS 52 N -1.70 -2.21 -3.03 -1.46 4.81 -1.26 -4.98 118.16 108.33 2i9y n LYS 52 Ca 0.00 1.69 -0.04 0.00 -0.87 0.00 0.00 58.31 59.09 2i9y n LYS 52 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2i9y n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i9y n ALA 53 N -1.58 -2.67 -2.17 3.14 0.00 -1.26 -5.06 120.51 110.91 2i9y n ALA 53 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 2i9y n ALA 53 Cb 0.14 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 2i9y n ALA 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2i9y s SER 54 N -2.85 0.56 0.70 0.00 0.01 -1.26 -5.14 113.70 105.71 2i9y s SER 54 Ca 0.09 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 2i9y s SER 54 Cb -0.02 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2i9y s SER 54 CO 0.76 -0.68 1.23 -2.16 0.41 0.00 0.00 173.24 172.81 2i9y s PRO 55 N -4.00 2.32 0.00 12.44 0.04 -1.26 -5.04 135.00 139.50 2i9y s PRO 55 Ca 0.23 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2i9y s PRO 55 Cb 0.07 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2i9y s PRO 55 CO 0.01 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2i9y n GLY 56 N 0.54 1.03 3.56 0.56 0.00 -1.26 -4.93 105.19 104.70 2i9y n GLY 56 Ca 0.14 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2i9y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9y s ASN 57 N -1.00 6.38 0.26 1.61 3.84 -1.26 -4.95 114.94 119.82 2i9y s ASN 57 Ca 0.00 -0.08 0.02 0.00 0.21 0.00 0.00 52.86 53.02 2i9y s ASN 57 Cb 0.00 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 2i9y s ASN 57 CO 0.00 -1.51 0.20 0.27 -2.79 0.00 0.00 177.10 173.27 2i9y s ILE 58 N 4.92 0.00 0.30 -5.21 -4.36 -1.26 -5.15 121.20 110.45 2i9y s ILE 58 Ca 0.39 -1.99 -0.19 0.00 -0.26 0.00 0.00 60.65 58.60 2i9y s ILE 58 Cb -0.08 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 2i9y s ILE 58 CO 0.22 0.00 0.79 0.00 0.24 0.00 0.00 174.94 176.19 2i9y s GLN 59 N -3.84 4.19 0.00 0.37 -2.07 -1.26 -4.90 119.66 112.15 2i9y s GLN 59 Ca 0.40 0.88 0.00 0.00 -1.82 0.00 0.00 55.36 54.82 2i9y s GLN 59 Cb 0.05 -2.60 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 2i9y s GLN 59 CO 0.19 0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.80 2i9y n GLY 60 N 0.10 2.23 3.91 2.60 0.00 -1.26 -5.11 105.19 107.66 2i9y n GLY 60 Ca 0.02 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2i9y n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9y n ASP 62 N -0.68 0.90 -3.36 0.00 9.92 -1.26 -4.78 116.55 117.28 2i9y n ASP 62 Ca -0.03 -0.90 -0.16 0.00 -0.53 0.00 0.00 54.79 53.17 2i9y n ASP 62 Cb 0.54 1.08 -0.08 0.00 -0.64 0.00 0.00 41.12 42.02 2i9y n ASP 62 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2i9y s LEU 63 N -3.09 -0.15 -0.37 0.64 2.34 -1.26 -5.11 118.68 111.69 2i9y s LEU 63 Ca 0.06 -1.35 -0.25 0.00 0.06 0.00 0.00 54.13 52.66 2i9y s LEU 63 Cb 0.15 0.59 0.01 0.00 -0.56 0.00 0.00 46.19 46.39 2i9y s LEU 63 CO 0.84 -0.29 0.86 -1.38 -1.06 0.00 0.00 176.35 175.32 2i9y s HIS 64 N 1.68 3.09 0.55 3.48 -3.43 -1.26 -5.01 115.29 114.39 2i9y s HIS 64 Ca 0.15 0.67 0.01 0.00 -0.80 0.00 0.00 55.06 55.10 2i9y s HIS 64 Cb -0.15 -3.54 0.03 0.00 -1.43 0.00 0.00 32.58 27.49 2i9y s HIS 64 CO -0.11 -0.79 0.77 -1.21 -2.00 0.00 0.00 174.74 171.40 2i9y s GLU 65 N 3.31 2.55 -1.46 -0.38 2.02 -1.26 -4.98 118.70 118.50 2i9y s GLU 65 Ca 0.35 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.48 2i9y s GLU 65 Cb -0.12 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2i9y s GLU 65 CO 0.18 -0.70 2.68 0.41 0.02 0.00 0.00 175.26 177.85 2i9y n GLY 66 N -2.33 4.73 3.88 -1.39 0.00 -1.26 -4.94 105.19 103.87 2i9y n GLY 66 Ca 0.08 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 2i9y n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i9y s ASP 67 N 1.27 6.34 0.00 1.61 1.01 -1.26 -4.73 116.67 120.90 2i9y s ASP 67 Ca 0.62 1.21 0.22 0.00 0.71 0.00 0.00 52.55 55.31 2i9y s ASP 67 Cb 0.18 -2.37 -0.24 0.00 1.01 0.00 0.00 42.92 41.50 2i9y s ASP 67 CO -0.08 -0.65 0.68 0.79 0.21 0.00 0.00 175.17 176.12 2i9y n TRP 68 N -2.18 0.10 0.00 4.23 7.02 -1.26 -4.98 117.44 120.37 2i9y n TRP 68 Ca 0.03 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 2i9y n TRP 68 Cb 0.54 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 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 1.32 2.01 3.21 6.99 0.00 -1.26 -4.98 105.19 112.48 2i9y n GLY 69 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2i9y n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i9y s THR 70 N -2.56 0.00 0.35 2.61 -4.23 -1.26 -5.12 115.64 105.42 2i9y s THR 70 Ca 0.00 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.24 2i9y s THR 70 Cb 0.00 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.24 2i9y s THR 70 CO 0.00 0.00 1.30 -0.69 -0.54 0.00 0.00 174.62 174.69 2i9y s VAL 71 N -4.12 2.71 0.00 2.29 1.01 -1.26 -2.78 120.40 118.25 2i9y s VAL 71 Ca 0.39 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2i9y s VAL 71 Cb 0.07 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2i9y s VAL 71 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2i9y n GLY 72 N 0.77 0.63 3.75 4.51 0.00 -1.00 -5.02 105.19 108.82 2i9y n GLY 72 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.17 5.14 -0.15 1.61 0.15 -1.12 -4.51 113.70 112.66 2i9y s SER 73 Ca 0.00 2.75 -0.01 0.00 0.70 0.00 0.00 55.95 59.39 2i9y s SER 73 Cb 0.00 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2i9y s SER 73 CO 0.00 -1.66 -0.04 -0.63 1.20 0.00 0.00 173.24 172.11 2i9y s ILE 74 N -1.31 0.96 -0.00 6.45 1.01 -1.26 -0.56 121.20 126.48 2i9y s ILE 74 Ca 0.74 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2i9y s ILE 74 Cb -0.40 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2i9y s ILE 74 CO 0.47 0.16 -0.09 -0.69 0.00 0.00 0.00 174.94 174.78 2i9y s VAL 75 N 1.71 0.74 -0.07 2.92 1.01 -1.26 -4.89 120.40 120.56 2i9y s VAL 75 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2i9y s VAL 75 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2i9y s VAL 75 CO -0.08 0.18 -0.08 -0.36 0.00 0.00 0.00 175.10 174.76 2i9y s PHE 76 N -0.27 2.89 -0.12 5.22 0.08 -1.26 -4.28 117.98 120.24 2i9y s PHE 76 Ca 0.03 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 2i9y s PHE 76 Cb -0.04 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 2i9y s PHE 76 CO -0.00 0.25 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.76 2i9y s TRP 77 N -0.64 3.07 -0.08 0.36 0.51 -1.20 -4.94 118.94 116.02 2i9y s TRP 77 Ca 0.10 -0.06 0.04 0.00 -2.12 0.00 0.00 56.10 54.06 2i9y s TRP 77 Cb -0.11 -1.87 -0.00 0.00 -0.81 0.00 0.00 33.47 30.67 2i9y s TRP 77 CO 0.02 0.20 -0.23 -0.80 -0.51 0.00 0.00 176.95 175.62 2i9y s ASN 78 N -0.22 2.92 0.07 2.95 0.02 -1.26 -0.98 114.94 118.44 2i9y s ASN 78 Ca 0.04 -0.51 0.01 0.00 -1.02 0.00 0.00 52.86 51.38 2i9y s ASN 78 Cb -0.13 -1.15 -0.04 0.00 0.02 0.00 0.00 41.25 39.96 2i9y s ASN 78 CO 0.02 0.17 -0.05 -0.72 0.02 0.00 0.00 177.10 176.54 2i9y s TYR 79 N 0.20 0.69 -0.21 2.20 1.13 -0.52 -4.93 117.35 115.93 2i9y s TYR 79 Ca -0.13 -0.86 -0.05 0.00 -1.41 0.00 0.00 57.07 54.61 2i9y s TYR 79 Cb -0.16 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.24 2i9y s TYR 79 CO 0.07 -0.21 0.01 0.08 -2.51 0.00 0.00 175.55 172.99 2i9y s VAL 80 N -3.15 4.01 -0.05 -3.49 1.01 -1.26 0.62 120.40 118.09 2i9y s VAL 80 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2i9y s VAL 80 Cb 0.02 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2i9y s VAL 80 CO -0.05 0.42 0.10 -2.28 0.00 0.00 0.00 175.10 173.29 2i9y s HIS 81 N 1.09 -0.10 -1.71 5.22 5.04 0.20 -4.81 115.29 120.23 2i9y s HIS 81 Ca 0.03 0.34 0.00 0.00 -1.54 0.00 0.00 55.06 53.89 2i9y s HIS 81 Cb -0.14 -0.11 0.00 0.00 0.04 0.00 0.00 32.58 32.36 2i9y s HIS 81 CO 0.02 -0.13 0.00 -0.25 -2.34 0.00 0.00 174.74 172.04 2i9y n ASP 82 N 4.04 -5.49 0.00 9.88 8.00 -1.26 -1.42 116.55 130.30 2i9y n ASP 82 Ca -0.25 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2i9y n ASP 82 Cb 0.52 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 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 -0.95 1.10 3.90 0.44 0.00 -1.26 -5.00 105.19 103.41 2i9y n GLY 83 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2i9y n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i9y s GLU 84 N -0.14 3.30 -0.26 1.61 2.02 -0.51 -5.07 118.70 119.65 2i9y s GLU 84 Ca 0.00 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.20 2i9y s GLU 84 Cb 0.00 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 2i9y s GLU 84 CO 0.00 0.54 0.53 0.00 0.02 0.00 0.00 175.26 176.36 2i9y s ALA 85 N -1.64 3.59 0.09 5.21 0.00 -1.26 -0.63 121.76 127.12 2i9y s ALA 85 Ca 0.34 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 2i9y s ALA 85 Cb -0.12 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 2i9y s ALA 85 CO 0.27 -0.75 0.39 0.15 0.00 0.00 0.00 175.76 175.82 2i9y s LYS 86 N 2.33 3.71 0.01 0.00 3.01 0.20 -4.89 119.74 124.12 2i9y s LYS 86 Ca 0.22 0.09 0.08 0.00 -1.01 0.00 0.00 55.97 55.35 2i9y s LYS 86 Cb -0.16 -2.95 -0.02 0.00 -1.01 0.00 0.00 37.83 33.69 2i9y s LYS 86 CO 0.09 0.54 -0.25 0.08 0.51 0.00 0.00 175.35 176.32 2i9y s VAL 87 N -1.47 1.97 -0.28 3.17 1.01 -1.26 -1.43 120.40 122.11 2i9y s VAL 87 Ca 0.35 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 2i9y s VAL 87 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2i9y s VAL 87 CO 0.20 0.43 0.07 0.00 0.00 0.00 0.00 175.10 175.80 2i9y s ALA 88 N -0.69 3.08 -0.22 5.51 0.00 -0.15 -4.96 121.76 124.32 2i9y s ALA 88 Ca 0.10 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 2i9y s ALA 88 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2i9y s ALA 88 CO 0.01 -0.81 0.11 0.15 0.00 0.00 0.00 175.76 175.22 2i9y s LYS 89 N 1.52 3.95 0.03 0.00 3.01 -1.26 -3.23 119.74 123.76 2i9y s LYS 89 Ca 0.04 -0.34 -0.15 0.00 -1.01 0.00 0.00 55.97 54.51 2i9y s LYS 89 Cb -0.17 -3.40 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 2i9y s LYS 89 CO 0.02 0.07 0.33 -1.83 0.51 0.00 0.00 175.35 174.45 2i9y s GLU 90 N 0.98 0.80 -0.04 1.68 4.04 -1.26 -4.14 118.70 120.77 2i9y s GLU 90 Ca 0.06 -0.41 -0.01 0.00 0.04 0.00 0.00 54.97 54.65 2i9y s GLU 90 Cb -0.14 0.35 0.03 0.00 0.02 0.00 0.00 34.13 34.39 2i9y s GLU 90 CO 0.03 -0.25 0.03 0.50 -1.84 0.00 0.00 175.26 173.73 2i9y s ARG 91 N -2.26 0.16 -0.01 -4.83 3.00 0.32 -4.01 118.95 111.31 2i9y s ARG 91 Ca -0.07 0.23 -0.30 0.00 -1.00 0.00 0.00 55.73 54.59 2i9y s ARG 91 Cb -0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 34.95 34.30 2i9y s ARG 91 CO -0.01 -0.26 1.63 0.42 0.00 0.00 0.00 175.30 177.07 2i9y s ILE 92 N 1.73 3.44 -0.22 4.11 1.01 0.28 -0.63 121.20 130.92 2i9y s ILE 92 Ca -0.00 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 2i9y s ILE 92 Cb -0.13 -3.44 -0.19 0.00 0.01 0.00 0.00 42.46 38.71 2i9y s ILE 92 CO -0.03 -0.04 -0.05 1.21 0.00 0.00 0.00 174.94 176.04 2i9y n GLU 93 N 6.50 0.67 -3.63 2.79 4.07 0.09 -2.37 120.64 128.76 2i9y n GLU 93 Ca 0.16 0.22 -0.15 0.00 -0.06 0.00 0.00 57.16 57.33 2i9y n GLU 93 Cb 0.42 -1.58 -0.07 0.00 -0.06 0.00 0.00 31.44 30.14 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 -2.52 -1.42 -0.07 4.31 0.00 -1.24 -4.84 121.76 115.98 2i9y s ALA 94 Ca -0.31 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 2i9y s ALA 94 Cb 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2i9y s ALA 94 CO 0.64 -0.31 0.24 0.54 0.00 0.00 0.00 175.76 176.86 2i9y s VAL 95 N -0.78 0.02 -0.28 0.00 0.11 -1.26 -0.19 120.40 118.02 2i9y s VAL 95 Ca -0.08 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2i9y s VAL 95 Cb -0.03 -0.40 0.08 0.00 -1.53 0.00 0.00 36.38 34.51 2i9y s VAL 95 CO 0.06 -0.09 0.00 -0.70 -3.33 0.00 0.00 175.10 171.04 2i9y s GLU 96 N -0.29 1.40 0.40 1.54 2.56 0.63 -4.98 118.70 119.97 2i9y s GLU 96 Ca -0.04 -1.24 0.14 0.00 0.00 0.00 0.00 54.97 53.83 2i9y s GLU 96 Cb -0.03 -2.62 0.84 0.00 2.00 0.00 0.00 34.13 34.31 2i9y s GLU 96 CO 0.01 -0.77 1.88 -1.00 -0.56 0.00 0.00 175.26 174.82 2i9y h PRO 97 N 7.89 0.00 0.10 4.30 0.13 -1.91 -0.55 132.00 141.96 2i9y h PRO 97 Ca -0.13 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.74 2i9y h PRO 97 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2i9y h PRO 97 CO 0.45 0.31 -1.17 0.22 -0.23 0.00 0.00 178.00 177.59 2i9y h ASP 98 N 0.00 0.37 -0.51 1.44 3.58 -1.93 -3.30 116.42 116.07 2i9y h ASP 98 Ca -0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2i9y h ASP 98 Cb 0.57 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2i9y h ASP 98 CO 0.04 1.28 0.00 0.29 -2.88 0.00 0.00 179.24 177.97 2i9y n LYS 99 N -3.54 2.55 -3.63 0.28 5.02 -1.11 -4.94 118.16 112.80 2i9y n LYS 99 Ca -0.07 -2.37 -0.22 0.00 -2.02 0.00 0.00 58.31 53.63 2i9y n LYS 99 Cb 0.99 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 34.53 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 1.50 -3.64 -4.33 4.39 4.13 -0.72 -4.58 115.26 112.02 2i9y n ASN 100 Ca 0.21 -0.67 -0.32 0.00 1.68 0.00 0.00 54.58 55.48 2i9y n ASN 100 Cb 0.60 -4.65 -0.15 0.00 -1.54 0.00 0.00 39.78 34.04 2i9y n ASN 100 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2i9y s LEU 101 N -6.88 2.28 -0.16 3.41 2.96 -0.30 -1.82 118.68 118.17 2i9y s LEU 101 Ca 0.30 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2i9y s LEU 101 Cb -0.14 -1.43 0.07 0.00 0.50 0.00 0.00 46.19 45.19 2i9y s LEU 101 CO 0.77 0.27 0.34 -0.51 -1.32 0.00 0.00 176.35 175.89 2i9y s ILE 102 N -0.28 -0.39 -0.27 6.68 1.10 -0.26 -0.27 121.20 127.52 2i9y s ILE 102 Ca 0.00 0.20 -0.10 0.00 -0.51 0.00 0.00 60.65 60.24 2i9y s ILE 102 Cb -0.13 -0.54 -0.05 0.00 0.15 0.00 0.00 42.46 41.90 2i9y s ILE 102 CO 0.03 0.08 0.16 -0.89 -2.11 0.00 0.00 174.94 172.21 2i9y s THR 103 N 2.18 5.12 -0.18 4.00 2.01 0.73 -0.77 115.64 128.73 2i9y s THR 103 Ca -0.03 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 2i9y s THR 103 Cb -0.11 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2i9y s THR 103 CO -0.11 0.29 0.07 -0.36 -0.69 0.00 0.00 174.62 173.82 2i9y s PHE 104 N 1.59 3.27 -0.21 4.92 0.40 0.16 -0.73 117.98 127.37 2i9y s PHE 104 Ca 0.07 0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2i9y s PHE 104 Cb -0.15 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 2i9y s PHE 104 CO 0.08 0.19 -0.00 0.50 0.70 0.00 0.00 175.22 176.69 2i9y s ARG 105 N 0.28 3.55 -0.13 0.44 3.52 0.20 -0.58 118.95 126.23 2i9y s ARG 105 Ca 0.04 -0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 2i9y s ARG 105 Cb -0.12 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2i9y s ARG 105 CO 0.00 -0.07 1.06 0.08 -0.81 0.00 0.00 175.30 175.55 2i9y s VAL 106 N 1.22 4.66 -0.10 7.11 1.01 -0.86 -0.52 120.40 132.92 2i9y s VAL 106 Ca 0.03 1.95 0.13 0.00 0.00 0.00 0.00 61.98 64.09 2i9y s VAL 106 Cb -0.15 -4.26 -0.18 0.00 0.00 0.00 0.00 36.38 31.80 2i9y s VAL 106 CO 0.01 -0.05 0.13 2.30 0.00 0.00 0.00 175.10 177.48 2i9y n ILE 107 N 4.80 0.64 -4.21 2.22 -0.00 -1.26 -4.67 119.36 116.89 2i9y n ILE 107 Ca 0.10 -0.49 -0.12 0.00 -0.00 0.00 0.00 62.75 62.23 2i9y n ILE 107 Cb 0.47 -0.40 -0.10 0.00 -0.00 0.00 0.00 39.64 39.61 2i9y n ILE 107 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2i9y s GLU 108 N -2.52 1.16 0.00 6.28 2.12 -1.26 -4.97 118.70 119.51 2i9y s GLU 108 Ca -0.06 -1.60 0.00 0.00 0.36 0.00 0.00 54.97 53.67 2i9y s GLU 108 Cb 0.06 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2i9y s GLU 108 CO 0.56 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 2i9y n GLY 109 N -0.26 -3.18 0.32 -1.50 0.00 -1.26 -4.53 105.19 94.77 2i9y n GLY 109 Ca -0.01 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 43.99 2i9y n GLY 109 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2i9y h ASP 110 N 0.00 0.00 0.37 1.61 2.03 -2.00 -1.70 116.42 116.74 2i9y h ASP 110 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 2i9y h ASP 110 Cb 0.00 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2i9y h ASP 110 CO 0.00 0.00 -0.31 -0.07 -1.03 0.00 0.00 179.24 177.83 2i9y h LEU 111 N 0.01 0.00 0.00 0.15 3.38 -1.94 -2.42 115.31 114.49 2i9y h LEU 111 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2i9y h LEU 111 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2i9y h LEU 111 CO -0.00 0.31 -0.07 0.23 0.09 0.00 0.00 178.44 179.00 2i9y n MET 112 N -4.05 0.11 0.00 1.13 2.81 -0.64 -0.93 117.12 115.55 2i9y n MET 112 Ca -0.02 0.08 0.11 0.00 -1.81 0.00 0.00 57.70 56.06 2i9y n MET 112 Cb 0.37 -1.62 0.04 0.00 -0.71 0.00 0.00 33.22 31.30 2i9y n MET 112 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2i9y n LYS 113 N -1.80 1.63 -0.12 0.03 -0.00 -0.93 -4.19 118.16 112.78 2i9y n LYS 113 Ca 0.06 -1.35 -0.21 0.00 -0.00 0.00 0.00 58.31 56.81 2i9y n LYS 113 Cb 0.38 -1.47 -0.10 0.00 -0.00 0.00 0.00 35.03 33.83 2i9y n LYS 113 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2i9y n GLU 114 N 0.49 0.58 -5.29 -1.58 -0.58 -1.11 -4.97 120.64 108.18 2i9y n GLU 114 Ca 0.11 0.18 -0.31 0.00 -0.42 0.00 0.00 57.16 56.72 2i9y n GLU 114 Cb 0.52 -1.45 -0.16 0.00 -0.57 0.00 0.00 31.44 29.78 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2i9y s TYR 115 N -2.48 2.31 -2.24 -0.32 2.02 -0.11 -3.29 117.35 113.26 2i9y s TYR 115 Ca -0.34 -0.47 0.23 0.00 -0.37 0.00 0.00 57.07 56.12 2i9y s TYR 115 Cb 0.11 -1.49 0.99 0.00 -0.40 0.00 0.00 41.96 41.16 2i9y s TYR 115 CO 0.51 -0.06 1.68 0.36 -1.57 0.00 0.00 175.55 176.47 2i9y n LYS 116 N 2.51 1.50 -3.63 -0.62 2.85 0.52 -4.06 118.16 117.23 2i9y n LYS 116 Ca -0.16 -0.74 -0.08 0.00 -1.05 0.00 0.00 58.31 56.28 2i9y n LYS 116 Cb 0.51 -1.40 -0.07 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.70 -0.35 -0.26 -5.58 0.15 -1.22 -4.94 113.70 99.81 2i9y s SER 117 Ca 0.34 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.55 2i9y s SER 117 Cb 0.18 0.63 0.13 0.00 -1.71 0.00 0.00 66.02 65.24 2i9y s SER 117 CO 0.28 -0.14 0.54 0.12 1.20 0.00 0.00 173.24 175.23 2i9y s PHE 118 N -0.00 -1.16 -0.05 3.44 5.36 -1.26 -0.41 117.98 123.89 2i9y s PHE 118 Ca 0.04 1.80 0.01 0.00 -0.96 0.00 0.00 56.93 57.82 2i9y s PHE 118 Cb -0.04 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 2i9y s PHE 118 CO -0.07 -0.65 -0.07 -1.17 -1.46 0.00 0.00 175.22 171.80 2i9y s LEU 119 N 2.76 1.39 -0.04 6.12 2.96 0.97 -2.02 118.68 130.82 2i9y s LEU 119 Ca 0.02 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2i9y s LEU 119 Cb -0.13 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.01 2i9y s LEU 119 CO -0.17 -0.04 -0.06 -1.48 -1.32 0.00 0.00 176.35 173.28 2i9y s LEU 120 N 0.90 1.52 -0.10 -0.68 2.34 0.25 -0.41 118.68 122.50 2i9y s LEU 120 Ca -0.11 -0.15 0.02 0.00 0.06 0.00 0.00 54.13 53.95 2i9y s LEU 120 Cb -0.15 -0.48 -0.01 0.00 -0.56 0.00 0.00 46.19 44.99 2i9y s LEU 120 CO 0.01 -0.01 -0.17 -0.89 -1.06 0.00 0.00 176.35 174.22 2i9y s THR 121 N 0.64 2.71 0.11 5.48 2.01 0.77 0.36 115.64 127.71 2i9y s THR 121 Ca -0.09 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.20 2i9y s THR 121 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2i9y s THR 121 CO 0.01 0.55 -0.24 0.27 -0.69 0.00 0.00 174.62 174.52 2i9y s ILE 122 N 0.14 1.94 -0.07 1.82 -4.36 0.05 -0.09 121.20 120.64 2i9y s ILE 122 Ca -0.09 -1.59 -0.04 0.00 -0.26 0.00 0.00 60.65 58.66 2i9y s ILE 122 Cb -0.15 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 41.85 2i9y s ILE 122 CO 0.06 0.04 0.16 -1.58 0.24 0.00 0.00 174.94 173.86 2i9y s GLN 123 N -1.87 0.15 -0.19 0.37 0.74 -0.78 -1.11 119.66 116.97 2i9y s GLN 123 Ca 0.10 0.31 -0.16 0.00 0.05 0.00 0.00 55.36 55.66 2i9y s GLN 123 Cb -0.10 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2i9y s GLN 123 CO 0.05 -0.09 0.38 0.08 -0.55 0.00 0.00 175.29 175.16 2i9y s VAL 124 N 0.63 5.22 0.01 1.34 1.01 -0.76 -0.36 120.40 127.50 2i9y s VAL 124 Ca -0.05 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2i9y s VAL 124 Cb -0.06 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2i9y s VAL 124 CO -0.03 0.28 -0.09 -0.89 0.00 0.00 0.00 175.10 174.37 2i9y s THR 125 N 1.16 0.68 -0.19 3.92 2.01 0.70 -4.75 115.64 119.16 2i9y s THR 125 Ca 0.19 -0.56 -0.39 0.00 0.31 0.00 0.00 61.69 61.24 2i9y s THR 125 Cb -0.14 -0.61 -0.16 0.00 0.01 0.00 0.00 72.50 71.60 2i9y s THR 125 CO 0.07 0.05 1.65 -2.65 -0.69 0.00 0.00 174.62 173.06 2i9y n PRO 126 N 2.50 1.15 -1.99 4.92 -0.02 -1.26 -0.80 135.00 139.50 2i9y n PRO 126 Ca -0.16 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 2i9y n PRO 126 Cb 0.56 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2i9y n PRO 126 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i9y s LYS 127 N 2.84 4.11 0.47 -0.52 0.00 -1.26 -4.72 119.74 120.65 2i9y s LYS 127 Ca 0.95 2.31 0.25 0.00 0.00 0.00 0.00 55.97 59.48 2i9y s LYS 127 Cb -1.04 -2.91 1.11 0.00 0.00 0.00 0.00 37.83 34.99 2i9y s LYS 127 CO 0.61 -0.43 1.91 -1.35 0.00 0.00 0.00 175.35 176.10 2i9y h PRO 128 N 2.97 0.00 -1.58 1.78 0.11 -1.99 -3.45 132.00 129.83 2i9y h PRO 128 Ca -0.50 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.70 2i9y h PRO 128 Cb 1.24 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.12 2i9y h PRO 128 CO 0.64 0.20 0.56 0.20 -0.21 0.00 0.00 178.00 179.38 2i9y s GLY 129 N -4.26 -0.27 0.00 -0.55 0.00 -1.26 -5.16 107.32 95.82 2i9y s GLY 129 Ca -0.01 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.71 2i9y s GLY 129 CO 0.62 0.99 0.00 0.61 0.00 0.00 0.00 173.10 175.32 2i9y n GLY 130 N 0.66 -0.46 3.98 0.20 0.00 -1.26 -5.01 105.19 103.31 2i9y n GLY 130 Ca -0.10 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 2i9y n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i9y s PRO 131 N -0.00 2.93 3.72 1.61 0.04 -1.26 -4.94 135.00 137.10 2i9y s PRO 131 Ca 0.00 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.21 2i9y s PRO 131 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2i9y s PRO 131 CO 0.00 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2i9y n GLY 132 N -1.96 0.76 3.36 0.56 0.00 -1.22 -4.57 105.19 102.11 2i9y n GLY 132 Ca 0.03 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.00 -0.37 -0.15 1.61 0.01 0.04 -4.65 113.70 106.18 2i9y s SER 133 Ca 0.00 0.00 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 2i9y s SER 133 Cb 0.00 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 66.67 2i9y s SER 133 CO 0.00 -0.77 0.20 -0.63 0.41 0.00 0.00 173.24 172.45 2i9y s ILE 134 N -2.92 5.37 -0.26 1.44 -1.09 0.02 -0.48 121.20 123.28 2i9y s ILE 134 Ca -0.03 0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.67 2i9y s ILE 134 Cb -0.00 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2i9y s ILE 134 CO -0.06 0.49 0.07 0.54 -1.23 0.00 0.00 174.94 174.75 2i9y s VAL 135 N -0.11 4.20 -0.40 2.92 0.11 0.91 -0.21 120.40 127.82 2i9y s VAL 135 Ca 0.14 -0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 58.63 2i9y s VAL 135 Cb -0.12 -3.02 0.01 0.00 -1.53 0.00 0.00 36.38 31.72 2i9y s VAL 135 CO 0.03 0.26 0.71 -1.00 -3.33 0.00 0.00 175.10 171.76 2i9y s HIS 136 N 1.58 3.08 -0.20 1.54 3.76 0.52 -1.54 115.29 124.03 2i9y s HIS 136 Ca 0.05 0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 55.07 2i9y s HIS 136 Cb -0.16 -3.37 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 2i9y s HIS 136 CO 0.03 -0.79 0.40 -1.58 -0.85 0.00 0.00 174.74 171.96 2i9y s TRP 137 N 2.97 3.38 -0.24 1.40 0.52 0.28 -1.87 118.94 125.38 2i9y s TRP 137 Ca 0.27 0.63 0.02 0.00 0.02 0.00 0.00 56.10 57.04 2i9y s TRP 137 Cb -0.13 -2.53 0.05 0.00 -1.15 0.00 0.00 33.47 29.71 2i9y s TRP 137 CO 0.18 -0.01 -0.12 -1.01 0.02 0.00 0.00 176.95 176.01 2i9y s HIS 138 N 1.30 3.08 -0.16 -1.98 3.76 0.87 -2.17 115.29 119.98 2i9y s HIS 138 Ca 0.19 -2.14 -0.02 0.00 -0.15 0.00 0.00 55.06 52.95 2i9y s HIS 138 Cb -0.15 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 2i9y s HIS 138 CO 0.08 -0.85 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.51 2i9y s LEU 139 N 1.17 2.80 -0.08 0.89 1.02 0.11 -0.16 118.68 124.42 2i9y s LEU 139 Ca -0.06 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.76 2i9y s LEU 139 Cb -0.19 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.38 2i9y s LEU 139 CO -0.07 0.10 -0.12 -1.61 0.02 0.00 0.00 176.35 174.67 2i9y s GLU 140 N 0.76 1.80 0.18 1.70 2.02 0.46 -0.17 118.70 125.44 2i9y s GLU 140 Ca -0.04 -0.43 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 2i9y s GLU 140 Cb -0.15 -1.54 0.01 0.00 0.10 0.00 0.00 34.13 32.55 2i9y s GLU 140 CO 0.01 -0.03 0.40 1.52 0.02 0.00 0.00 175.26 177.18 2i9y s TYR 141 N 0.86 0.16 -0.10 1.61 1.13 -0.02 -0.02 117.35 120.97 2i9y s TYR 141 Ca -0.11 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.04 2i9y s TYR 141 Cb -0.15 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2i9y s TYR 141 CO 0.01 -0.81 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.12 2i9y s GLU 142 N -3.93 1.83 0.24 -3.49 2.12 0.45 0.72 118.70 116.65 2i9y s GLU 142 Ca 0.14 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 2i9y s GLU 142 Cb 0.01 -1.67 -0.09 0.00 0.26 0.00 0.00 34.13 32.64 2i9y s GLU 142 CO -0.01 -0.13 1.12 0.15 -0.54 0.00 0.00 175.26 175.85 2i9y s LYS 143 N 1.22 4.60 0.17 4.30 3.01 -0.51 -0.36 119.74 132.18 2i9y s LYS 143 Ca -0.03 1.81 -0.03 0.00 -1.01 0.00 0.00 55.97 56.71 2i9y s LYS 143 Cb -0.14 -3.21 0.05 0.00 -1.01 0.00 0.00 37.83 33.52 2i9y s LYS 143 CO -0.04 0.12 1.44 0.82 0.51 0.00 0.00 175.35 178.21 2i9y h ILE 144 N 3.34 1.35 -2.39 2.17 2.04 -1.88 -3.42 117.51 118.72 2i9y h ILE 144 Ca -0.46 -2.03 0.09 0.00 1.00 0.00 0.00 64.86 63.47 2i9y h ILE 144 Cb 1.21 2.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.15 2i9y h ILE 144 CO 0.69 0.62 0.45 -0.55 0.00 0.00 0.00 178.15 179.36 2i9y s SER 145 N -6.97 -0.38 0.01 1.72 0.15 -1.26 -5.01 113.70 101.95 2i9y s SER 145 Ca -0.07 -0.02 -0.20 0.00 0.70 0.00 0.00 55.95 56.36 2i9y s SER 145 Cb 0.10 0.42 -0.22 0.00 -1.71 0.00 0.00 66.02 64.62 2i9y s SER 145 CO 0.85 -0.69 1.13 -0.33 1.20 0.00 0.00 173.24 175.40 2i9y h GLU 146 N 2.00 0.41 0.00 5.44 5.08 -1.90 -2.55 114.58 123.05 2i9y h GLU 146 Ca -0.24 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2i9y h GLU 146 Cb 1.25 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2i9y h GLU 146 CO 0.32 1.06 -0.00 1.05 -1.00 0.00 0.00 179.01 180.43 2i9y h GLU 147 N -0.10 0.00 0.06 2.33 4.11 -1.99 -2.26 114.58 116.73 2i9y h GLU 147 Ca -0.06 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.07 2i9y h GLU 147 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2i9y h GLU 147 CO 0.10 0.00 -1.63 0.28 0.07 0.00 0.00 179.01 177.83 2i9y h VAL 148 N 0.00 0.99 -2.91 -1.06 2.07 -1.84 -3.46 116.25 110.03 2i9y h VAL 148 Ca -0.00 -2.74 -0.63 0.00 0.82 0.00 0.00 66.70 64.15 2i9y h VAL 148 Cb 0.05 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 2i9y h VAL 148 CO 0.00 0.71 -0.29 0.00 0.02 0.00 0.00 177.57 178.01 2i9y s ALA 149 N -2.61 3.75 -0.40 1.67 0.00 -0.85 -4.81 121.76 118.51 2i9y s ALA 149 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2i9y s ALA 149 Cb 0.08 -2.26 0.14 0.00 0.00 0.00 0.00 23.12 21.07 2i9y s ALA 149 CO 0.82 0.51 0.22 -1.01 0.00 0.00 0.00 175.76 176.30 2i9y s HIS 150 N -1.00 1.45 -0.11 0.00 3.76 -1.26 -4.91 115.29 113.22 2i9y s HIS 150 Ca 0.21 -2.05 0.14 0.00 -0.15 0.00 0.00 55.06 53.20 2i9y s HIS 150 Cb -0.15 -1.48 0.75 0.00 1.11 0.00 0.00 32.58 32.80 2i9y s HIS 150 CO 0.10 -0.81 1.34 -2.30 -0.85 0.00 0.00 174.74 172.22 2i9y n PRO 151 N 3.83 0.09 -0.23 8.40 -0.02 -1.26 -1.99 135.00 143.82 2i9y n PRO 151 Ca 0.09 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 62.16 2i9y n PRO 151 Cb 0.36 -2.01 0.14 0.00 -0.02 0.00 0.00 33.50 31.96 2i9y n PRO 151 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i9y h GLU 152 N 0.00 0.39 -0.04 -0.52 5.08 -2.02 -1.88 114.58 115.59 2i9y h GLU 152 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2i9y h GLU 152 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2i9y h GLU 152 CO 0.00 0.26 -0.40 1.79 -1.00 0.00 0.00 179.01 179.66 2i9y h THR 153 N 0.41 1.30 -0.43 1.13 1.35 -1.84 -2.74 112.91 112.09 2i9y h THR 153 Ca 0.35 -1.43 -0.09 0.00 -0.55 0.00 0.00 66.41 64.69 2i9y h THR 153 Cb 0.49 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 2i9y h THR 153 CO -0.36 0.42 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.14 2i9y h LEU 154 N 0.08 0.75 -0.29 3.87 4.07 -1.52 0.35 115.31 122.63 2i9y h LEU 154 Ca 0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2i9y h LEU 154 Cb 0.75 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 2i9y h LEU 154 CO 0.06 0.89 0.12 -0.07 -1.08 0.00 0.00 178.44 178.36 2i9y h LEU 155 N 0.69 0.39 -0.77 1.67 3.38 -1.46 -1.00 115.31 118.21 2i9y h LEU 155 Ca 0.12 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2i9y h LEU 155 Cb 0.59 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2i9y h LEU 155 CO 0.04 0.43 -0.62 0.06 0.09 0.00 0.00 178.44 178.44 2i9y h GLN 156 N 0.32 0.00 -0.79 1.13 -0.00 -1.47 -2.24 115.11 112.06 2i9y h GLN 156 Ca 0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 2i9y h GLN 156 Cb 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.60 2i9y h GLN 156 CO -0.01 0.62 0.52 0.35 -0.00 0.00 0.00 178.83 180.31 2i9y h PHE 157 N 0.00 1.00 -0.52 0.06 3.57 -0.01 0.73 116.94 121.77 2i9y h PHE 157 Ca -0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2i9y h PHE 157 Cb 1.09 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2i9y h PHE 157 CO 0.00 0.64 0.22 0.00 -2.23 0.00 0.00 178.31 176.94 2i9y h VAL 159 N 0.70 0.92 -0.43 0.00 2.07 -0.72 -0.44 116.25 118.34 2i9y h VAL 159 Ca 0.18 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2i9y h VAL 159 Cb 0.17 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 2i9y h VAL 159 CO -0.02 0.06 -0.09 -0.33 0.02 0.00 0.00 177.57 177.22 2i9y h GLU 160 N 0.33 0.02 -0.14 1.57 4.39 -0.64 -1.35 114.58 118.77 2i9y h GLU 160 Ca 0.18 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 2i9y h GLU 160 Cb 0.13 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2i9y h GLU 160 CO -0.16 0.01 -0.57 0.28 -1.16 0.00 0.00 179.01 177.41 2i9y h VAL 161 N 0.02 1.34 -0.35 3.13 2.07 -1.24 -3.26 116.25 117.96 2i9y h VAL 161 Ca 0.21 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 65.94 2i9y h VAL 161 Cb 0.31 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2i9y h VAL 161 CO -0.42 0.57 -0.10 0.28 0.02 0.00 0.00 177.57 177.91 2i9y h SER 162 N 0.34 -0.36 -0.33 0.57 0.02 0.09 -1.23 113.55 112.65 2i9y h SER 162 Ca 0.00 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2i9y h SER 162 Cb 1.10 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2i9y h SER 162 CO 0.10 -0.13 -0.19 0.11 -1.14 0.00 0.00 176.83 175.59 2i9y h LYS 163 N -0.02 0.81 -0.06 3.45 6.56 -1.57 -0.74 116.57 125.00 2i9y h LYS 163 Ca 0.17 -0.31 0.01 0.00 -1.06 0.00 0.00 60.65 59.46 2i9y h LYS 163 Cb 0.27 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2i9y h LYS 163 CO -0.37 0.93 -0.02 1.49 -2.06 0.00 0.00 179.45 179.43 2i9y h GLU 164 N 0.71 -0.00 -0.01 3.15 4.57 -1.43 -1.25 114.58 120.33 2i9y h GLU 164 Ca 0.10 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 2i9y h GLU 164 Cb 0.70 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2i9y h GLU 164 CO 0.05 -0.00 -0.38 0.97 -1.18 0.00 0.00 179.01 178.47 2i9y h ILE 165 N -0.00 1.49 -0.02 2.32 6.09 -1.20 -2.97 117.51 123.22 2i9y h ILE 165 Ca 0.03 -1.98 0.03 0.00 -1.37 0.00 0.00 64.86 61.57 2i9y h ILE 165 Cb 0.04 2.67 -0.04 0.00 0.47 0.00 0.00 36.82 39.97 2i9y h ILE 165 CO -0.06 0.56 -0.17 -0.78 -3.07 0.00 0.00 178.15 174.63 2i9y h ASP 166 N -0.33 -0.49 0.47 2.19 3.58 -1.04 0.93 116.42 121.72 2i9y h ASP 166 Ca -0.05 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 2i9y h ASP 166 Cb 1.12 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 2i9y h ASP 166 CO 0.08 -0.23 -0.48 -0.33 -2.88 0.00 0.00 179.24 175.40 2i9y h GLU 167 N -0.26 0.01 -0.10 0.28 5.08 -1.38 0.20 114.58 118.41 2i9y h GLU 167 Ca 0.06 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2i9y h GLU 167 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2i9y h GLU 167 CO -0.17 0.48 -0.42 1.25 -1.00 0.00 0.00 179.01 179.15 2i9y h HIS 168 N 0.01 0.27 0.01 4.33 2.76 -1.19 0.30 115.15 121.63 2i9y h HIS 168 Ca -0.00 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 57.96 2i9y h HIS 168 Cb 0.85 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.76 2i9y h HIS 168 CO 0.00 0.62 -0.53 -0.07 -1.30 0.00 0.00 177.93 176.65 2i9y h LEU 169 N 0.19 0.44 -0.34 0.26 3.38 -0.21 -3.32 115.31 115.72 2i9y h LEU 169 Ca 0.02 -0.78 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 2i9y h LEU 169 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2i9y h LEU 169 CO 0.07 1.17 -0.16 -0.07 0.09 0.00 0.00 178.44 179.54 2i9y h LEU 170 N -0.24 0.72 -3.13 1.67 3.38 -0.92 -3.49 115.31 113.31 2i9y h LEU 170 Ca -0.07 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 2i9y h LEU 170 Cb 1.26 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2i9y h LEU 170 CO 0.10 0.97 -0.98 0.00 0.09 0.00 0.00 178.44 178.62 2i9y n ALA 171 N -2.46 -1.99 -2.83 1.53 0.00 0.10 -4.97 120.51 109.90 2i9y n ALA 171 Ca -0.03 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 2i9y n ALA 171 Cb 0.39 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.32 3.56 0.00 0.00 -1.05 -1.26 -4.55 118.70 114.08 2i9y s GLU 172 Ca 0.11 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2i9y s GLU 172 Cb -0.01 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 2i9y s GLU 172 CO 0.25 0.66 0.01 0.39 0.95 0.00 0.00 175.26 177.52