#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9v s VAL 2 N 0.00 3.60 -0.27 2.03 1.01 -0.41 -4.90 120.40 121.46 3i9v s VAL 2 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3i9v s VAL 2 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3i9v s VAL 2 CO 0.00 0.32 0.54 -0.60 0.00 0.00 0.00 175.10 175.36 3i9v s ARG 3 N -1.64 4.02 0.07 2.72 6.06 -1.26 -2.73 118.95 126.20 3i9v s ARG 3 Ca 0.19 0.31 0.09 0.00 -2.50 0.00 0.00 55.73 53.81 3i9v s ARG 3 Cb -0.11 -3.67 -0.03 0.00 0.06 0.00 0.00 34.95 31.19 3i9v s ARG 3 CO 0.10 -0.41 -0.25 0.08 -2.50 0.00 0.00 175.30 172.32 3i9v s VAL 4 N 2.38 2.02 -0.25 7.11 1.01 -0.95 -1.07 120.40 130.65 3i9v s VAL 4 Ca 0.22 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.76 3i9v s VAL 4 Cb -0.15 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.52 3i9v s VAL 4 CO 0.10 0.21 -0.12 -0.75 0.00 0.00 0.00 175.10 174.54 3i9v s LYS 5 N -1.53 2.35 0.00 2.72 2.20 -0.07 -0.60 119.74 124.81 3i9v s LYS 5 Ca 0.11 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.44 3i9v s LYS 5 Cb -0.10 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 3i9v s LYS 5 CO 0.03 -0.53 0.00 0.28 -0.36 0.00 0.00 175.35 174.78 3i9v n VAL 6 N 4.47 0.00 0.00 4.02 0.31 0.18 -1.80 118.33 125.50 3i9v n VAL 6 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3i9v n VAL 6 Cb 0.43 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 3i9v n VAL 6 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i9v n ASN 7 N 0.00 0.00 -0.58 4.52 3.02 -1.23 -3.31 115.26 117.69 3i9v n ASN 7 Ca 0.00 0.10 0.09 0.00 -0.03 0.00 0.00 54.58 54.74 3i9v n ASN 7 Cb 0.00 -0.15 0.21 0.00 -0.61 0.00 0.00 39.78 39.22 3i9v n ASN 7 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3i9v n ASP 8 N -1.26 3.26 -4.01 6.41 5.68 -1.26 -4.96 116.55 120.41 3i9v n ASP 8 Ca 0.00 -2.96 -0.22 0.00 -0.50 0.00 0.00 54.79 51.11 3i9v n ASP 8 Cb 0.00 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.35 3i9v n ASP 8 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3i9v s ARG 9 N -2.70 1.17 0.01 0.11 3.52 -1.26 -5.14 118.95 114.65 3i9v s ARG 9 Ca 0.37 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3i9v s ARG 9 Cb 0.30 -1.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.60 3i9v s ARG 9 CO 0.07 0.10 0.03 0.42 -0.81 0.00 0.00 175.30 175.11 3i9v s ILE 10 N 0.31 4.33 0.01 4.11 1.01 -1.26 -0.65 121.20 129.06 3i9v s ILE 10 Ca -0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3i9v s ILE 10 Cb -0.11 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3i9v s ILE 10 CO 0.01 0.34 0.00 -0.69 0.00 0.00 0.00 174.94 174.60 3i9v s VAL 11 N -1.15 0.09 0.38 2.92 1.01 0.23 -4.98 120.40 118.90 3i9v s VAL 11 Ca 0.21 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 3i9v s VAL 11 Cb -0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 3i9v s VAL 11 CO 0.12 -0.42 0.82 -1.61 0.00 0.00 0.00 175.10 174.01 3i9v s GLU 12 N -1.27 4.04 -0.30 2.72 0.41 -1.26 -2.23 118.70 120.81 3i9v s GLU 12 Ca -0.14 0.80 -0.17 0.00 -0.41 0.00 0.00 54.97 55.05 3i9v s GLU 12 Cb -0.08 -2.33 0.20 0.00 -1.78 0.00 0.00 34.13 30.14 3i9v s GLU 12 CO -0.00 0.05 1.27 0.54 -0.49 0.00 0.00 175.26 176.62 3i9v s VAL 13 N -2.13 0.00 0.70 2.63 0.11 -1.10 -4.97 120.40 115.63 3i9v s VAL 13 Ca 0.57 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.45 3i9v s VAL 13 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3i9v s VAL 13 CO 0.19 0.00 1.03 -0.81 -3.33 0.00 0.00 175.10 172.17 3i9v n PRO 14 N 2.91 0.63 -0.20 1.54 -0.04 -1.26 -1.28 135.00 137.30 3i9v n PRO 14 Ca -0.16 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 3i9v n PRO 14 Cb 0.56 -2.27 -0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3i9v n PRO 14 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3i9v h PRO 15 N -0.08 -0.18 0.00 0.54 0.13 -1.93 -2.60 132.00 127.89 3i9v h PRO 15 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i9v h PRO 15 Cb 1.34 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3i9v h PRO 15 CO 0.48 -0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 3i9v n GLY 16 N -1.43 -0.54 3.73 1.56 0.00 -1.26 -4.28 105.19 102.98 3i9v n GLY 16 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i9v n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9v n THR 17 N -1.27 1.84 -2.35 2.61 -1.04 -0.98 -4.53 114.28 108.55 3i9v n THR 17 Ca 0.04 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 3i9v n THR 17 Cb 0.06 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 3i9v n THR 17 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3i9v s SER 18 N -0.11 7.06 0.56 8.00 0.15 -1.26 -2.26 113.70 125.85 3i9v s SER 18 Ca 0.56 2.26 0.32 0.00 0.70 0.00 0.00 55.95 59.78 3i9v s SER 18 Cb -0.53 -2.61 1.46 0.00 -1.71 0.00 0.00 66.02 62.63 3i9v s SER 18 CO 0.61 -0.39 1.82 0.58 1.20 0.00 0.00 173.24 177.06 3i9v h VAL 19 N 3.75 0.40 -0.40 4.45 2.07 -0.97 0.17 116.25 125.72 3i9v h VAL 19 Ca -0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3i9v h VAL 19 Cb 1.21 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3i9v h VAL 19 CO 0.75 0.00 -0.05 -0.03 0.02 0.00 0.00 177.57 178.26 3i9v h MET 20 N 0.00 0.74 -0.22 1.57 1.85 -1.11 0.38 114.93 118.14 3i9v h MET 20 Ca 0.39 -0.26 -0.18 0.00 -0.61 0.00 0.00 59.70 59.04 3i9v h MET 20 Cb 1.76 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.73 3i9v h MET 20 CO -0.00 0.85 -0.58 -0.44 -0.40 0.00 0.00 176.91 176.34 3i9v h ASP 21 N 0.56 0.78 -0.68 1.39 5.19 -1.03 -1.35 116.42 121.27 3i9v h ASP 21 Ca 0.11 -0.43 -0.07 0.00 -0.62 0.00 0.00 57.03 56.02 3i9v h ASP 21 Cb 0.55 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 3i9v h ASP 21 CO 0.03 1.19 0.17 0.00 -3.12 0.00 0.00 179.24 177.50 3i9v h ALA 22 N 0.82 1.00 0.90 3.45 0.00 -0.85 0.14 119.26 124.72 3i9v h ALA 22 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3i9v h ALA 22 Cb 1.16 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i9v h ALA 22 CO 0.12 0.65 -0.43 0.28 0.00 0.00 0.00 179.25 179.86 3i9v h VAL 23 N 1.04 0.11 -0.30 0.00 2.07 -0.06 -2.59 116.25 116.52 3i9v h VAL 23 Ca 0.22 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3i9v h VAL 23 Cb 0.36 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3i9v h VAL 23 CO 0.00 0.00 0.21 -0.26 0.02 0.00 0.00 177.57 177.54 3i9v h PHE 24 N -1.22 0.18 -0.09 1.57 0.04 -1.20 -2.38 116.94 113.84 3i9v h PHE 24 Ca -0.12 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 3i9v h PHE 24 Cb 0.93 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3i9v h PHE 24 CO -0.01 0.10 -0.16 1.25 -0.60 0.00 0.00 178.31 178.89 3i9v h HIS 25 N 0.18 0.15 -0.00 -0.55 2.76 -0.36 0.17 115.15 117.50 3i9v h HIS 25 Ca 0.13 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3i9v h HIS 25 Cb 0.30 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3i9v h HIS 25 CO -0.00 0.31 -0.02 0.00 -1.30 0.00 0.00 177.93 176.92 3i9v n ALA 26 N -2.49 2.65 -1.51 5.26 0.00 -0.92 -4.73 120.51 118.77 3i9v n ALA 26 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3i9v n ALA 26 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3i9v n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9v n GLY 27 N 1.11 0.92 0.00 0.00 0.00 0.59 -5.03 105.19 102.78 3i9v n GLY 27 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i9v n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i9v n TYR 28 N -2.50 -0.15 -3.66 1.61 4.02 -1.09 -5.02 117.16 110.37 3i9v n TYR 28 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3i9v n TYR 28 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 3i9v n TYR 28 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3i9v s ASP 29 N 0.02 -0.40 -0.29 7.72 -4.77 -1.26 -4.34 116.67 113.35 3i9v s ASP 29 Ca 0.00 -0.33 -0.25 0.00 -3.30 0.00 0.00 52.55 48.67 3i9v s ASP 29 Cb 0.00 0.66 0.18 0.00 -1.09 0.00 0.00 42.92 42.67 3i9v s ASP 29 CO 0.00 -1.16 1.36 0.54 0.70 0.00 0.00 175.17 176.61 3i9v s VAL 30 N -3.84 0.00 0.51 2.11 0.11 -1.26 -5.00 120.40 113.02 3i9v s VAL 30 Ca 0.07 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 3i9v s VAL 30 Cb -0.03 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.73 3i9v s VAL 30 CO -0.03 0.00 0.89 -2.65 -3.33 0.00 0.00 175.10 169.99 3i9v n PRO 31 N 1.78 1.03 -3.10 1.54 -0.02 -1.26 -4.94 135.00 130.02 3i9v n PRO 31 Ca -0.11 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3i9v n PRO 31 Cb 0.57 -2.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3i9v n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i9v s LEU 32 N -0.73 -1.00 -0.04 2.45 1.98 -1.26 -2.64 118.68 117.43 3i9v s LEU 32 Ca 0.68 -0.07 -0.09 0.00 -2.89 0.00 0.00 54.13 51.76 3i9v s LEU 32 Cb -0.49 1.51 -0.03 0.00 0.66 0.00 0.00 46.19 47.84 3i9v s LEU 32 CO 0.53 -0.16 -0.17 0.49 -1.89 0.00 0.00 176.35 175.15 3i9v n PHE 33 N 4.89 0.00 0.22 5.38 3.72 -1.26 -4.85 117.46 125.56 3i9v n PHE 33 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 3i9v n PHE 33 Cb 0.57 -0.25 0.20 0.00 -0.94 0.00 0.00 39.48 39.06 3i9v n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i9v s SER 35 N -6.20 7.02 -0.00 0.00 0.01 -1.26 -4.39 113.70 108.87 3i9v s SER 35 Ca 0.06 1.44 -0.04 0.00 1.31 0.00 0.00 55.95 58.72 3i9v s SER 35 Cb 0.06 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 3i9v s SER 35 CO 0.67 -0.05 0.08 -0.70 0.41 0.00 0.00 173.24 173.64 3i9v s GLU 36 N -2.27 0.35 0.30 12.44 2.56 -1.25 -5.05 118.70 125.78 3i9v s GLU 36 Ca 0.47 -0.36 -0.27 0.00 0.00 0.00 0.00 54.97 54.82 3i9v s GLU 36 Cb -0.15 0.14 -0.14 0.00 2.00 0.00 0.00 34.13 35.98 3i9v s GLU 36 CO 0.20 -0.07 0.85 1.63 -0.56 0.00 0.00 175.26 177.31 3i9v n LYS 37 N 1.82 0.99 -1.07 4.30 5.02 -1.26 -1.93 118.16 126.03 3i9v n LYS 37 Ca -0.21 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 3i9v n LYS 37 Cb 0.56 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 3i9v n LYS 37 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9v n HIS 38 N -0.04 0.00 -4.36 2.13 8.25 -1.26 -4.97 115.22 114.97 3i9v n HIS 38 Ca 0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.32 3i9v n HIS 38 Cb 0.32 -1.56 -0.09 0.00 1.12 0.00 0.00 29.99 29.78 3i9v n HIS 38 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3i9v s LEU 39 N -0.54 2.85 0.14 2.41 1.43 -0.81 -4.98 118.68 119.18 3i9v s LEU 39 Ca 0.00 -0.76 -0.33 0.00 -1.03 0.00 0.00 54.13 52.01 3i9v s LEU 39 Cb 0.00 -1.45 -0.13 0.00 0.03 0.00 0.00 46.19 44.64 3i9v s LEU 39 CO 0.00 0.06 1.68 -1.54 0.23 0.00 0.00 176.35 176.79 3i9v n SER 40 N -0.35 3.48 -4.76 2.29 3.41 -1.26 -4.61 113.62 111.83 3i9v n SER 40 Ca -0.08 1.05 -0.40 0.00 -0.26 0.00 0.00 58.87 59.18 3i9v n SER 40 Cb 0.58 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 3i9v n SER 40 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3i9v s PRO 41 N 1.59 4.58 -0.03 4.33 0.04 -1.25 -4.81 135.00 139.45 3i9v s PRO 41 Ca 0.80 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 3i9v s PRO 41 Cb -0.61 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.63 3i9v s PRO 41 CO 0.38 0.43 0.09 0.96 0.04 0.00 0.00 177.00 178.90 3i9v s ILE 42 N -0.65 0.01 -0.77 0.56 -5.25 -1.26 -4.85 121.20 108.99 3i9v s ILE 42 Ca 0.38 -0.04 -0.27 0.00 -0.99 0.00 0.00 60.65 59.74 3i9v s ILE 42 Cb -0.22 -0.15 0.03 0.00 2.95 0.00 0.00 42.46 45.06 3i9v s ILE 42 CO 0.26 -0.02 1.32 -0.83 -1.79 0.00 0.00 174.94 173.88 3i9v s GLY 43 N -0.03 0.89 0.00 6.27 0.00 -1.26 -4.65 107.32 108.55 3i9v s GLY 43 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.27 3i9v s GLY 43 CO 0.00 2.69 0.00 0.00 0.00 0.00 0.00 173.10 175.79 3i9v n ALA 44 N 9.47 2.28 0.14 3.20 0.00 -1.26 -4.71 120.51 129.62 3i9v n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i9v n ALA 44 Cb 0.49 0.43 0.14 0.00 0.00 0.00 0.00 19.45 20.52 3i9v n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9v n ARG 46 N -3.53 -5.80 -0.11 0.00 1.74 -1.26 -4.95 116.66 102.74 3i9v n ARG 46 Ca -0.00 0.64 -0.15 0.00 -0.77 0.00 0.00 57.85 57.57 3i9v n ARG 46 Cb 0.66 -5.07 -0.12 0.00 -1.02 0.00 0.00 32.46 26.91 3i9v n ARG 46 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3i9v n MET 47 N -3.78 0.68 -0.53 5.56 2.81 -1.26 -4.58 117.12 116.02 3i9v n MET 47 Ca -0.06 0.10 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 3i9v n MET 47 Cb 0.57 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.63 3i9v n MET 47 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i9v s LEU 49 N -0.76 4.46 0.47 0.00 1.43 -1.26 -1.66 118.68 121.36 3i9v s LEU 49 Ca 0.13 2.22 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 3i9v s LEU 49 Cb 0.10 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 3i9v s LEU 49 CO 0.01 -0.35 0.06 0.68 0.23 0.00 0.00 176.35 176.97 3i9v s VAL 50 N -0.11 0.90 -0.12 -1.59 -7.23 0.29 -4.91 120.40 107.64 3i9v s VAL 50 Ca 0.52 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 3i9v s VAL 50 Cb -0.32 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3i9v s VAL 50 CO 0.37 0.00 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.51 3i9v s ARG 51 N -3.80 3.26 -0.12 4.82 3.52 -1.08 -1.32 118.95 124.23 3i9v s ARG 51 Ca 0.12 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 3i9v s ARG 51 Cb 0.02 -2.78 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 3i9v s ARG 51 CO 0.07 0.44 -0.20 0.42 -0.81 0.00 0.00 175.30 175.23 3i9v s ILE 52 N -0.19 1.85 -0.03 4.11 1.01 -1.26 -1.82 121.20 124.86 3i9v s ILE 52 Ca 0.03 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3i9v s ILE 52 Cb -0.13 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3i9v s ILE 52 CO 0.02 0.51 -0.10 -0.83 0.00 0.00 0.00 174.94 174.54 3i9v s GLY 53 N 0.76 1.65 0.00 6.18 0.00 -0.43 -1.28 107.32 114.19 3i9v s GLY 53 Ca -0.10 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.73 3i9v s GLY 53 CO 0.01 -0.79 0.96 -0.10 0.00 0.00 0.00 173.10 173.18 3i9v n LEU 54 N 2.02 0.01 0.00 0.66 7.94 -1.22 -0.96 117.00 125.44 3i9v n LEU 54 Ca -0.17 -1.63 0.00 0.00 -1.11 0.00 0.00 56.01 53.10 3i9v n LEU 54 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3i9v n LEU 54 CO 0.27 0.86 -0.09 -0.81 -1.11 0.00 0.00 177.39 176.51 3i9v n PRO 55 N 0.16 0.00 -2.14 1.96 -0.04 -1.26 -4.90 135.00 128.78 3i9v n PRO 55 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 3i9v n PRO 55 Cb 0.81 -0.20 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 3i9v n PRO 55 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i9v s ILE 73 N -1.83 3.57 -0.48 0.52 1.01 -1.26 -5.10 121.20 117.63 3i9v s ILE 73 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.19 3i9v s ILE 73 Cb 0.00 -3.97 0.15 0.00 0.01 0.00 0.00 42.46 38.65 3i9v s ILE 73 CO 0.00 -0.75 0.31 -1.10 0.00 0.00 0.00 174.94 173.40 3i9v s GLN 74 N 5.90 1.39 0.10 2.79 -0.21 -1.26 -5.10 119.66 123.27 3i9v s GLN 74 Ca 0.68 -2.25 -0.35 0.00 0.02 0.00 0.00 55.36 53.46 3i9v s GLN 74 Cb -0.16 -2.30 -0.15 0.00 1.00 0.00 0.00 33.01 31.40 3i9v s GLN 74 CO 0.28 -1.23 1.53 0.91 -2.12 0.00 0.00 175.29 174.66 3i9v n TRP 75 N 3.12 2.02 -2.01 0.91 5.03 -1.26 -3.43 117.44 121.82 3i9v n TRP 75 Ca 0.15 0.38 -0.34 0.00 3.03 0.00 0.00 57.50 60.72 3i9v n TRP 75 Cb 0.38 -2.48 0.03 0.00 -1.03 0.00 0.00 31.31 28.20 3i9v n TRP 75 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 3i9v s GLN 76 N 1.16 3.05 0.10 -0.99 -1.52 -0.40 -4.97 119.66 116.10 3i9v s GLN 76 Ca 0.83 1.57 -0.14 0.00 -1.95 0.00 0.00 55.36 55.67 3i9v s GLN 76 Cb -0.79 -1.97 -0.10 0.00 -0.22 0.00 0.00 33.01 29.93 3i9v s GLN 76 CO 0.43 -1.08 1.38 -1.35 -0.25 0.00 0.00 175.29 174.42 3i9v h PRO 77 N 0.68 0.76 -6.19 2.91 0.11 -1.92 -3.45 132.00 124.91 3i9v h PRO 77 Ca -0.49 -0.47 -0.51 0.00 0.11 0.00 0.00 66.00 64.64 3i9v h PRO 77 Cb 1.26 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 3i9v h PRO 77 CO 0.55 1.10 -0.53 -1.59 -0.21 0.00 0.00 178.00 177.32 3i9v s LYS 78 N -4.15 2.74 0.23 1.05 -2.85 -1.26 -5.11 119.74 110.40 3i9v s LYS 78 Ca -0.12 -1.20 -0.30 0.00 -1.00 0.00 0.00 55.97 53.36 3i9v s LYS 78 Cb 0.09 -2.45 -0.09 0.00 -2.06 0.00 0.00 37.83 33.32 3i9v s LYS 78 CO 0.86 0.31 1.01 -0.51 0.10 0.00 0.00 175.35 177.12 3i9v s LEU 79 N -3.85 4.58 -0.08 2.77 1.43 -1.26 -4.76 118.68 117.52 3i9v s LEU 79 Ca 0.35 2.05 -0.05 0.00 -1.03 0.00 0.00 54.13 55.45 3i9v s LEU 79 Cb -0.07 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3i9v s LEU 79 CO 0.24 -0.01 0.13 0.00 0.23 0.00 0.00 176.35 176.94 3i9v s ALA 80 N -0.92 3.79 -0.61 4.21 0.00 -0.43 -4.87 121.76 122.92 3i9v s ALA 80 Ca 0.44 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 3i9v s ALA 80 Cb -0.28 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3i9v s ALA 80 CO 0.35 0.65 1.72 0.00 0.00 0.00 0.00 175.76 178.49 3i9v s ALA 81 N -1.09 2.35 0.64 0.00 0.00 -1.26 -0.55 121.76 121.85 3i9v s ALA 81 Ca 0.18 -0.73 0.38 0.00 0.00 0.00 0.00 51.96 51.80 3i9v s ALA 81 Cb -0.12 -4.27 2.16 0.00 0.00 0.00 0.00 23.12 20.89 3i9v s ALA 81 CO 0.08 -3.65 2.29 0.66 0.00 0.00 0.00 175.76 175.14 3i9v h SER 82 N 13.72 0.00 1.38 0.00 4.64 -1.67 -2.11 113.55 129.51 3i9v h SER 82 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3i9v h SER 82 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3i9v h SER 82 CO 1.22 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 176.91 3i9v n VAL 84 N -2.45 0.60 -3.40 0.00 0.24 -0.88 -4.82 118.33 107.62 3i9v n VAL 84 Ca 0.04 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.34 61.29 3i9v n VAL 84 Cb 0.47 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.52 3i9v n VAL 84 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i9v s THR 85 N -0.60 5.22 0.85 3.34 2.01 -0.85 -5.05 115.64 120.57 3i9v s THR 85 Ca 0.00 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 3i9v s THR 85 Cb 0.00 -3.73 0.10 0.00 0.01 0.00 0.00 72.50 68.88 3i9v s THR 85 CO 0.00 0.30 1.10 0.00 -0.69 0.00 0.00 174.62 175.34 3i9v s ALA 86 N 0.91 1.92 -0.17 7.40 0.00 -1.26 -1.34 121.76 129.22 3i9v s ALA 86 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 3i9v s ALA 86 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3i9v s ALA 86 CO 0.08 -2.03 0.08 0.14 0.00 0.00 0.00 175.76 174.02 3i9v s VAL 87 N -3.10 4.97 0.15 0.00 -7.23 -0.96 -4.60 120.40 109.63 3i9v s VAL 87 Ca 0.62 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.85 3i9v s VAL 87 Cb -0.16 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 3i9v s VAL 87 CO 0.55 0.50 0.21 0.00 -0.31 0.00 0.00 175.10 176.05 3i9v s ALA 88 N 0.03 3.80 0.28 1.32 0.00 -1.26 -4.89 121.76 121.05 3i9v s ALA 88 Ca 0.07 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3i9v s ALA 88 Cb -0.12 -1.61 -0.12 0.00 0.00 0.00 0.00 23.12 21.27 3i9v s ALA 88 CO 0.00 0.55 1.48 -3.47 0.00 0.00 0.00 175.76 174.32 3i9v n ASP 89 N -0.38 3.29 -3.32 0.00 -0.08 -1.26 -3.10 116.55 111.69 3i9v n ASP 89 Ca -0.07 1.16 -0.17 0.00 -1.51 0.00 0.00 54.79 54.19 3i9v n ASP 89 Cb 0.54 -1.52 0.07 0.00 2.34 0.00 0.00 41.12 42.55 3i9v n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i9v n GLY 90 N 1.90 -1.04 3.38 0.27 0.00 -0.24 -4.98 105.19 104.48 3i9v n GLY 90 Ca 0.09 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 3i9v n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i9v s MET 91 N -4.69 2.12 -0.01 1.61 0.00 -1.18 -4.58 119.30 112.56 3i9v s MET 91 Ca 0.40 -0.93 -0.00 0.00 0.00 0.00 0.00 55.69 55.15 3i9v s MET 91 Cb -0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 34.83 32.61 3i9v s MET 91 CO 0.75 0.56 0.06 0.08 0.00 0.00 0.00 175.02 176.47 3i9v s VAL 92 N -0.73 4.60 -0.18 10.11 1.01 -0.14 -0.89 120.40 134.19 3i9v s VAL 92 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3i9v s VAL 92 Cb -0.10 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.25 3i9v s VAL 92 CO 0.01 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3i9v s VAL 93 N -1.16 0.42 -0.25 2.92 1.01 -0.74 -1.32 120.40 121.27 3i9v s VAL 93 Ca 0.22 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3i9v s VAL 93 Cb -0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3i9v s VAL 93 CO 0.13 -0.17 0.17 -0.62 0.00 0.00 0.00 175.10 174.60 3i9v s ASP 94 N 1.91 6.06 0.00 3.32 2.15 -0.76 -3.48 116.67 125.88 3i9v s ASP 94 Ca 0.00 0.06 0.08 0.00 0.43 0.00 0.00 52.55 53.12 3i9v s ASP 94 Cb -0.16 -2.10 0.16 0.00 -0.30 0.00 0.00 42.92 40.52 3i9v s ASP 94 CO -0.08 0.03 1.03 0.35 -0.17 0.00 0.00 175.17 176.33 3i9v n THR 95 N 4.54 0.66 0.09 1.71 -2.24 -1.26 -2.63 114.28 115.15 3i9v n THR 95 Ca -0.15 -0.83 0.02 0.00 -2.27 0.00 0.00 64.05 60.82 3i9v n THR 95 Cb 0.52 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 3i9v n THR 95 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i9v n LEU 96 N 0.29 0.09 -4.54 3.22 4.32 -1.26 -4.75 117.00 114.37 3i9v n LEU 96 Ca 0.07 -0.27 -0.39 0.00 -0.02 0.00 0.00 56.01 55.40 3i9v n LEU 96 Cb 0.31 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.14 3i9v n LEU 96 CO 0.05 0.02 0.31 -1.20 -1.22 0.00 0.00 177.39 175.36 3i9v n SER 97 N -1.34 -0.01 0.16 -1.43 7.64 -1.26 -4.58 113.62 112.80 3i9v n SER 97 Ca 0.00 0.86 0.19 0.00 1.01 0.00 0.00 58.87 60.93 3i9v n SER 97 Cb 0.08 -1.26 0.74 0.00 -1.01 0.00 0.00 64.21 62.75 3i9v n SER 97 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i9v h ASP 98 N 0.72 0.00 0.05 6.43 3.32 -1.97 0.19 116.42 125.16 3i9v h ASP 98 Ca -0.45 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 3i9v h ASP 98 Cb 1.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.94 3i9v h ASP 98 CO 0.51 0.00 -0.60 0.58 -1.72 0.00 0.00 179.24 178.01 3i9v h VAL 99 N 0.00 1.50 0.07 -1.35 2.07 -1.99 -1.10 116.25 115.45 3i9v h VAL 99 Ca 0.15 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 3i9v h VAL 99 Cb 1.06 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 3i9v h VAL 99 CO -0.00 0.64 -0.04 0.58 0.02 0.00 0.00 177.57 178.77 3i9v h VAL 100 N -0.31 0.00 -0.94 2.57 2.07 -1.53 -2.83 116.25 115.28 3i9v h VAL 100 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 3i9v h VAL 100 Cb 1.38 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 3i9v h VAL 100 CO 0.12 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.33 3i9v h ARG 101 N -0.10 0.74 -0.58 1.57 3.08 -0.80 0.13 114.38 118.41 3i9v h ARG 101 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3i9v h ARG 101 Cb 0.08 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3i9v h ARG 101 CO 0.01 0.49 0.22 1.49 -1.07 0.00 0.00 179.97 181.11 3i9v h GLU 102 N 0.76 0.88 -0.29 0.04 4.81 -1.31 -1.92 114.58 117.55 3i9v h GLU 102 Ca 0.48 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3i9v h GLU 102 Cb 0.73 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3i9v h GLU 102 CO -0.25 0.76 0.12 0.00 -0.73 0.00 0.00 179.01 178.91 3i9v h ALA 103 N 1.07 0.38 0.13 2.92 0.00 -0.58 -2.44 119.26 120.74 3i9v h ALA 103 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i9v h ALA 103 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i9v h ALA 103 CO -0.01 -0.02 -0.25 1.96 0.00 0.00 0.00 179.25 180.92 3i9v h GLN 104 N 0.32 -0.40 -1.23 0.00 4.20 -0.95 0.14 115.11 117.20 3i9v h GLN 104 Ca 0.10 0.03 0.35 0.00 0.06 0.00 0.00 58.65 59.19 3i9v h GLN 104 Cb 0.18 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3i9v h GLN 104 CO -0.01 -0.26 0.84 0.00 -0.67 0.00 0.00 178.83 178.73 3i9v h ALA 105 N -1.17 2.86 -0.22 3.87 0.00 -1.26 0.63 119.26 123.97 3i9v h ALA 105 Ca -0.01 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3i9v h ALA 105 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i9v h ALA 105 CO -0.10 -1.28 -0.66 0.78 0.00 0.00 0.00 179.25 177.99 3i9v h GLY 106 N 0.13 0.90 2.00 0.00 0.00 -0.90 -2.48 103.07 102.73 3i9v h GLY 106 Ca 0.64 -1.16 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 3i9v h GLY 106 CO -0.16 1.04 -0.28 1.98 0.00 0.00 0.00 176.54 179.13 3i9v h MET 107 N 0.60 0.00 -0.02 4.80 -1.53 0.22 -1.52 114.93 117.48 3i9v h MET 107 Ca -0.02 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 3i9v h MET 107 Cb 1.28 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.32 3i9v h MET 107 CO 0.14 0.28 -0.64 0.28 0.14 0.00 0.00 176.91 177.11 3i9v h VAL 108 N 0.00 1.44 -0.05 -5.77 2.07 -0.97 -2.94 116.25 110.03 3i9v h VAL 108 Ca -0.00 -2.14 -0.24 0.00 0.82 0.00 0.00 66.70 65.13 3i9v h VAL 108 Cb 0.64 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3i9v h VAL 108 CO 0.04 0.62 -0.93 -0.08 0.02 0.00 0.00 177.57 177.24 3i9v h GLU 109 N 0.06 0.67 -0.42 1.57 4.81 -0.92 -2.47 114.58 117.89 3i9v h GLU 109 Ca -0.01 -0.65 -0.05 0.00 -0.13 0.00 0.00 59.36 58.52 3i9v h GLU 109 Cb 1.14 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3i9v h GLU 109 CO 0.09 1.25 0.05 0.74 -0.73 0.00 0.00 179.01 180.42 3i9v h PHE 110 N 0.41 0.67 0.61 0.92 0.04 -1.28 -1.98 116.94 116.32 3i9v h PHE 110 Ca -0.09 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3i9v h PHE 110 Cb 1.57 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 39.53 3i9v h PHE 110 CO 0.09 0.61 -0.29 1.15 -0.60 0.00 0.00 178.31 179.26 3i9v h THR 111 N 0.62 0.00 0.00 -1.55 2.02 -1.45 -3.16 112.91 109.39 3i9v h THR 111 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3i9v h THR 111 Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3i9v h THR 111 CO 0.01 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.08 3i9v n LEU 112 N -4.43 0.00 0.08 2.58 4.77 -0.94 -3.71 117.00 115.36 3i9v n LEU 112 Ca -0.10 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 3i9v n LEU 112 Cb 0.32 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i9v n LEU 112 CO 0.24 -0.17 0.74 0.25 -1.33 0.00 0.00 177.39 177.11 3i9v h LEU 113 N 0.00 -0.55 -2.28 2.23 5.85 -1.32 -3.19 115.31 116.05 3i9v h LEU 113 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i9v h LEU 113 Cb 0.05 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3i9v h LEU 113 CO 0.00 -0.27 0.00 0.59 -0.34 0.00 0.00 178.44 178.42 3i9v n ASN 114 N -5.32 3.18 -4.75 1.25 3.02 -1.24 -4.84 115.26 106.56 3i9v n ASN 114 Ca -0.06 -1.92 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 3i9v n ASN 114 Cb 0.23 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.26 3i9v n ASN 114 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i9v s HIS 115 N -1.35 2.39 0.06 3.10 2.46 -1.21 -3.62 115.29 117.12 3i9v s HIS 115 Ca 0.33 1.57 -0.13 0.00 0.47 0.00 0.00 55.06 57.30 3i9v s HIS 115 Cb 0.19 -3.31 -0.29 0.00 -0.13 0.00 0.00 32.58 29.04 3i9v s HIS 115 CO 0.27 -2.06 1.10 -1.00 -2.47 0.00 0.00 174.74 170.58 3i9v h PRO 116 N 0.05 0.55 -0.64 2.88 0.13 -1.90 -3.47 132.00 129.60 3i9v h PRO 116 Ca -0.48 -0.78 0.00 0.00 -0.87 0.00 0.00 66.00 63.87 3i9v h PRO 116 Cb 1.27 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.67 3i9v h PRO 116 CO 0.53 1.36 0.00 1.28 -0.23 0.00 0.00 178.00 180.93 3i9v n LEU 117 N -3.74 -0.59 -0.24 1.56 4.77 -1.26 -5.04 117.00 112.46 3i9v n LEU 117 Ca -0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3i9v n LEU 117 Cb 1.01 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 3i9v n LEU 117 CO 0.58 0.00 0.26 0.47 -1.33 0.00 0.00 177.39 177.37 3i9v n ASP 118 N -0.32 1.30 -0.33 -1.43 8.00 -1.26 -4.86 116.55 117.65 3i9v n ASP 118 Ca 0.00 -1.15 0.18 0.00 0.71 0.00 0.00 54.79 54.53 3i9v n ASP 118 Cb 0.15 0.33 0.34 0.00 -0.02 0.00 0.00 41.12 41.92 3i9v n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9v h PRO 120 N 0.00 0.67 0.00 0.00 0.11 -2.00 -3.16 132.00 127.63 3i9v h PRO 120 Ca 0.63 -0.22 -0.20 0.00 0.11 0.00 0.00 66.00 66.32 3i9v h PRO 120 Cb 1.40 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3i9v h PRO 120 CO -0.87 0.77 -0.99 0.00 -0.21 0.00 0.00 178.00 176.71 3i9v h THR 121 N 0.50 1.60 -3.31 -1.15 1.03 -0.33 -3.46 112.91 107.80 3i9v h THR 121 Ca 0.11 -3.29 -0.52 0.00 -0.01 0.00 0.00 66.41 62.69 3i9v h THR 121 Cb 0.47 2.79 0.04 0.00 -1.07 0.00 0.00 68.15 70.38 3i9v h THR 121 CO 0.02 0.91 0.69 0.00 -0.01 0.00 0.00 175.52 177.13 3i9v n ASP 123 N 2.83 0.00 -0.14 0.00 2.03 -1.26 -2.72 116.55 117.29 3i9v n ASP 123 Ca 0.07 -0.11 0.06 0.00 0.52 0.00 0.00 54.79 55.33 3i9v n ASP 123 Cb 0.42 -0.27 0.33 0.00 -0.72 0.00 0.00 41.12 40.88 3i9v n ASP 123 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3i9v n LYS 124 N -1.27 1.18 0.00 -0.67 0.00 -1.26 -4.77 118.16 111.37 3i9v n LYS 124 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.16 3i9v n LYS 124 Cb 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.00 3i9v n LYS 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9v n GLY 125 N 0.78 0.00 0.31 3.14 0.00 -1.10 -2.89 105.19 105.43 3i9v n GLY 125 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3i9v n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9v n GLY 126 N 0.00 -0.30 1.94 -0.02 0.00 -1.26 -3.52 105.19 102.03 3i9v n GLY 126 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i9v n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n ALA 127 N -0.19 4.27 -2.91 4.61 0.00 -1.20 -4.94 120.51 120.15 3i9v n ALA 127 Ca 0.17 -2.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.01 3i9v n ALA 127 Cb 0.23 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 3i9v n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9v h GLU 129 N 8.60 0.30 -0.37 0.00 5.08 -1.86 -1.17 114.58 125.16 3i9v h GLU 129 Ca -0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3i9v h GLU 129 Cb 1.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3i9v h GLU 129 CO 0.80 0.20 0.23 1.25 -1.00 0.00 0.00 179.01 180.48 3i9v h LEU 130 N 0.31 0.44 -0.08 1.33 5.85 -1.93 -1.18 115.31 120.04 3i9v h LEU 130 Ca 0.68 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.40 3i9v h LEU 130 Cb 1.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3i9v h LEU 130 CO -0.62 0.35 -0.11 1.56 -0.34 0.00 0.00 178.44 179.28 3i9v h GLN 131 N 0.49 -0.14 -0.67 1.25 4.20 -1.58 -2.23 115.11 116.42 3i9v h GLN 131 Ca 0.13 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3i9v h GLN 131 Cb -0.02 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3i9v h GLN 131 CO -0.03 -0.09 0.15 -0.44 -0.67 0.00 0.00 178.83 177.74 3i9v h ASP 132 N -0.15 1.03 1.08 1.46 5.19 -1.22 -2.74 116.42 121.07 3i9v h ASP 132 Ca 0.07 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 3i9v h ASP 132 Cb 0.25 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3i9v h ASP 132 CO -0.17 1.01 -0.18 0.03 -3.12 0.00 0.00 179.24 176.81 3i9v h ARG 133 N 1.01 0.00 0.05 3.56 -0.00 -1.17 -1.87 114.38 115.96 3i9v h ARG 133 Ca 0.21 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.45 3i9v h ARG 133 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.36 3i9v h ARG 133 CO 0.01 0.18 -1.05 1.15 0.00 0.00 0.00 179.97 180.26 3i9v h THR 134 N 0.00 1.51 0.00 2.04 2.02 -1.11 -2.06 112.91 115.31 3i9v h THR 134 Ca -0.00 -2.86 -0.01 0.00 0.77 0.00 0.00 66.41 64.31 3i9v h THR 134 Cb 0.77 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 3i9v h THR 134 CO 0.02 0.83 -0.86 1.62 0.37 0.00 0.00 175.52 177.51 3i9v h VAL 135 N 0.10 0.05 0.03 3.16 3.04 -1.46 -2.74 116.25 118.44 3i9v h VAL 135 Ca -0.08 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.52 3i9v h VAL 135 Cb 1.73 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 3i9v h VAL 135 CO 0.17 0.03 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.41 3i9v h GLU 136 N 0.00 -0.04 -0.01 4.17 5.08 -1.37 -3.43 114.58 118.98 3i9v h GLU 136 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i9v h GLU 136 Cb 1.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i9v h GLU 136 CO 0.00 0.30 -0.01 0.66 -1.00 0.00 0.00 179.01 178.96 3i9v n TYR 137 N -4.76 0.00 -2.33 4.33 4.02 -0.78 -5.05 117.16 112.60 3i9v n TYR 137 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3i9v n TYR 137 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3i9v n TYR 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9v n GLY 138 N 0.43 1.96 2.82 2.72 0.00 -1.03 -3.03 105.19 109.06 3i9v n GLY 138 Ca 0.04 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3i9v n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9v n LEU 139 N 0.00 -1.71 -4.75 0.99 4.77 -1.26 -4.85 117.00 110.18 3i9v n LEU 139 Ca 0.00 -0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.43 3i9v n LEU 139 Cb 0.00 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 3i9v n LEU 139 CO 0.00 0.02 0.71 -0.47 -1.33 0.00 0.00 177.39 176.32 3i9v s TYR 140 N -1.11 3.81 -0.62 -1.77 5.04 -1.26 -5.01 117.35 116.43 3i9v s TYR 140 Ca 0.26 1.81 -0.21 0.00 -2.44 0.00 0.00 57.07 56.48 3i9v s TYR 140 Cb -0.03 -3.11 0.08 0.00 0.35 0.00 0.00 41.96 39.26 3i9v s TYR 140 CO 0.62 0.03 0.86 -2.00 -1.34 0.00 0.00 175.55 173.73 3i9v s GLU 141 N -0.97 3.10 -0.08 4.97 2.12 -1.26 -5.01 118.70 121.57 3i9v s GLU 141 Ca 0.44 -0.96 -0.25 0.00 0.36 0.00 0.00 54.97 54.56 3i9v s GLU 141 Cb -0.28 -4.22 -0.03 0.00 0.26 0.00 0.00 34.13 29.86 3i9v s GLU 141 CO 0.34 -1.68 0.76 -1.59 -0.54 0.00 0.00 175.26 172.55 3i9v s LYS 142 N 3.53 4.43 -0.21 4.30 -2.85 -1.26 -5.12 119.74 122.57 3i9v s LYS 142 Ca 0.19 0.97 -0.05 0.00 -1.00 0.00 0.00 55.97 56.08 3i9v s LYS 142 Cb -0.19 -3.47 0.07 0.00 -2.06 0.00 0.00 37.83 32.18 3i9v s LYS 142 CO 0.09 -0.02 0.11 0.71 0.10 0.00 0.00 175.35 176.35 3i9v s TYR 143 N 1.06 0.20 0.00 1.78 4.12 -1.26 -5.26 117.35 117.98 3i9v s TYR 143 Ca 0.39 -0.44 0.00 0.00 0.02 0.00 0.00 57.07 57.04 3i9v s TYR 143 Cb -0.18 -0.73 0.00 0.00 -1.52 0.00 0.00 41.96 39.53 3i9v s TYR 143 CO 0.18 -0.61 0.00 -1.91 0.02 0.00 0.00 175.55 173.24 3i9v n GLU 150 N 5.27 0.00 -1.43 -0.62 2.13 -1.26 -5.27 120.64 119.46 3i9v n GLU 150 Ca -0.07 0.00 -0.62 0.00 0.66 0.00 0.00 57.16 57.14 3i9v n GLU 150 Cb 0.47 -0.27 -0.11 0.00 0.27 0.00 0.00 31.44 31.81 3i9v n GLU 150 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i9v n LEU 151 N -2.24 0.93 -4.79 4.31 4.77 -1.26 -4.86 117.00 113.86 3i9v n LEU 151 Ca 0.00 0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 56.50 3i9v n LEU 151 Cb 0.00 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 3i9v n LEU 151 CO 0.00 -0.78 0.72 -2.16 -1.33 0.00 0.00 177.39 173.85 3i9v s PRO 152 N 4.51 4.12 -0.25 3.23 0.04 -1.26 -5.03 135.00 140.35 3i9v s PRO 152 Ca 1.10 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 63.50 3i9v s PRO 152 Cb -1.45 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 3i9v s PRO 152 CO 0.71 -0.17 0.12 0.08 0.04 0.00 0.00 177.00 177.78 3i9v s VAL 153 N -1.74 4.82 -0.15 -0.36 1.01 -1.26 -4.98 120.40 117.74 3i9v s VAL 153 Ca 0.59 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 3i9v s VAL 153 Cb -0.20 -3.26 -0.24 0.00 0.00 0.00 0.00 36.38 32.68 3i9v s VAL 153 CO 0.25 0.32 0.39 1.88 0.00 0.00 0.00 175.10 177.95 3i9v h TYR 154 N 8.04 0.29 -3.36 5.22 0.05 -2.04 -3.46 116.97 121.71 3i9v h TYR 154 Ca -0.37 -0.21 -0.51 0.00 0.05 0.00 0.00 58.73 57.70 3i9v h TYR 154 Cb 1.18 -0.01 -0.34 0.00 1.01 0.00 0.00 36.73 38.56 3i9v h TYR 154 CO 0.69 1.58 -0.81 -0.08 -1.05 0.00 0.00 178.16 178.49 3i9v s THR 155 N -2.45 1.05 -0.19 -2.88 -1.32 -1.26 -5.01 115.64 103.57 3i9v s THR 155 Ca -0.24 -0.39 -0.21 0.00 -1.21 0.00 0.00 61.69 59.64 3i9v s THR 155 Cb 0.05 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.84 3i9v s THR 155 CO 0.70 0.35 0.29 0.03 -2.21 0.00 0.00 174.62 173.78 3i9v h ARG 156 N 7.33 0.03 -6.26 7.08 2.47 -2.00 -3.46 114.38 119.56 3i9v h ARG 156 Ca -0.31 -0.04 -0.55 0.00 -1.26 0.00 0.00 59.98 57.81 3i9v h ARG 156 Cb 1.17 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.52 3i9v h ARG 156 CO 0.46 1.02 1.29 0.34 0.56 0.00 0.00 179.97 183.63 3i9v n PHE 157 N -4.37 2.36 -2.55 3.04 7.35 -1.26 -4.90 117.46 117.12 3i9v n PHE 157 Ca -0.30 -0.28 -0.23 0.00 -0.76 0.00 0.00 57.45 55.88 3i9v n PHE 157 Cb 0.69 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.75 3i9v n PHE 157 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 3i9v n GLU 158 N 7.75 2.89 -1.52 -4.13 0.28 -1.26 -5.06 120.64 119.59 3i9v n GLU 158 Ca 0.23 -4.24 0.00 0.00 -0.16 0.00 0.00 57.16 52.99 3i9v n GLU 158 Cb 0.40 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.25 3i9v n GLU 158 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i9v n PHE 159 N -0.37 0.00 -2.79 -1.84 3.01 -1.26 -5.09 117.46 109.12 3i9v n PHE 159 Ca 0.32 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.35 3i9v n PHE 159 Cb 0.68 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.12 3i9v n PHE 159 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3i9v s THR 160 N -0.53 4.61 1.11 4.37 2.01 -1.26 -5.03 115.64 120.92 3i9v s THR 160 Ca 0.00 1.32 -0.13 0.00 0.31 0.00 0.00 61.69 63.19 3i9v s THR 160 Cb 0.00 -4.32 0.25 0.00 0.01 0.00 0.00 72.50 68.45 3i9v s THR 160 CO 0.00 -0.47 1.05 -0.13 -0.69 0.00 0.00 174.62 174.38 3i9v s ARG 161 N 3.42 -0.51 0.04 4.92 0.52 -1.26 -4.91 118.95 121.17 3i9v s ARG 161 Ca 0.39 0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.02 3i9v s ARG 161 Cb -0.12 -1.61 -0.06 0.00 0.52 0.00 0.00 34.95 33.68 3i9v s ARG 161 CO 0.17 -3.42 1.34 0.50 0.02 0.00 0.00 175.30 173.91 3i9v s ARG 162 N -4.63 4.33 -0.23 3.54 3.52 -1.24 -5.01 118.95 119.23 3i9v s ARG 162 Ca 0.67 1.93 -0.02 0.00 -0.13 0.00 0.00 55.73 58.19 3i9v s ARG 162 Cb -0.23 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3i9v s ARG 162 CO 0.62 -0.47 -0.08 -1.01 -0.81 0.00 0.00 175.30 173.55 3i9v s HIS 163 N 1.80 2.99 0.00 5.12 3.76 -1.26 -4.89 115.29 122.81 3i9v s HIS 163 Ca 0.62 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 3i9v s HIS 163 Cb -0.32 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.33 3i9v s HIS 163 CO 0.28 -0.70 0.00 1.33 -0.85 0.00 0.00 174.74 174.80 3i9v n VAL 164 N 4.69 0.00 -1.68 -0.90 0.24 -1.26 -5.10 118.33 114.33 3i9v n VAL 164 Ca -0.18 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.67 3i9v n VAL 164 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3i9v n VAL 164 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i9v n ASP 165 N -1.34 3.13 -4.18 -1.34 2.03 -1.26 -4.79 116.55 108.80 3i9v n ASP 165 Ca 0.00 1.11 -0.12 0.00 0.52 0.00 0.00 54.79 56.30 3i9v n ASP 165 Cb 0.00 -1.46 -0.10 0.00 -0.72 0.00 0.00 41.12 38.84 3i9v n ASP 165 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3i9v s LYS 166 N 0.36 0.86 -1.17 -0.67 2.20 -1.26 -3.26 119.74 116.80 3i9v s LYS 166 Ca 0.74 -1.32 -0.26 0.00 -0.36 0.00 0.00 55.97 54.76 3i9v s LYS 166 Cb -0.64 -0.30 0.04 0.00 -1.51 0.00 0.00 37.83 35.42 3i9v s LYS 166 CO 0.42 0.01 0.50 -2.39 -0.36 0.00 0.00 175.35 173.53 3i9v n HIS 167 N 0.03 -1.22 -4.03 4.03 1.44 -1.23 -4.95 115.22 109.29 3i9v n HIS 167 Ca -0.12 0.14 -0.34 0.00 -2.01 0.00 0.00 57.72 55.39 3i9v n HIS 167 Cb 0.60 -2.51 -0.15 0.00 0.12 0.00 0.00 29.99 28.06 3i9v n HIS 167 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3i9v s HIS 168 N -3.78 2.93 0.08 -1.40 5.04 -0.84 -4.88 115.29 112.44 3i9v s HIS 168 Ca 0.36 -1.52 -0.31 0.00 -1.54 0.00 0.00 55.06 52.06 3i9v s HIS 168 Cb -0.20 -2.00 -0.07 0.00 0.04 0.00 0.00 32.58 30.35 3i9v s HIS 168 CO 0.89 -0.74 1.28 -1.25 -2.34 0.00 0.00 174.74 172.59 3i9v s PRO 169 N 1.33 4.38 0.11 2.88 0.04 -1.26 0.47 135.00 142.94 3i9v s PRO 169 Ca 0.03 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.06 3i9v s PRO 169 Cb -0.15 -3.31 -0.17 0.00 0.04 0.00 0.00 34.50 30.91 3i9v s PRO 169 CO -0.08 -0.34 1.17 -0.07 0.04 0.00 0.00 177.00 177.72 3i9v h LEU 170 N 6.82 0.00 -8.13 -3.56 3.38 -0.91 -3.47 115.31 109.45 3i9v h LEU 170 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3i9v h LEU 170 Cb 1.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3i9v h LEU 170 CO 0.83 0.92 0.08 -0.94 0.09 0.00 0.00 178.44 179.42 3i9v s SER 171 N -6.52 -0.08 0.00 -0.43 1.04 -1.14 -4.24 113.70 102.33 3i9v s SER 171 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3i9v s SER 171 Cb 0.09 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.90 3i9v s SER 171 CO 0.81 -1.32 0.65 -0.81 0.98 0.00 0.00 173.24 173.55 3i9v n PRO 172 N -0.45 0.67 0.00 4.02 -0.04 -1.26 -3.09 135.00 134.85 3i9v n PRO 172 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3i9v n PRO 172 Cb 0.60 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 3i9v n PRO 172 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i9v n PHE 173 N -0.46 0.00 -3.70 0.54 3.01 -1.26 -4.59 117.46 111.01 3i9v n PHE 173 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 3i9v n PHE 173 Cb 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.32 3i9v n PHE 173 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3i9v s VAL 174 N -0.45 -0.15 -0.07 -4.37 1.01 -1.18 -1.39 120.40 113.80 3i9v s VAL 174 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.33 3i9v s VAL 174 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 3i9v s VAL 174 CO 0.00 0.13 -0.16 -0.51 0.00 0.00 0.00 175.10 174.57 3i9v s ILE 175 N 1.86 2.89 -0.28 2.22 2.07 -0.52 -0.17 121.20 129.27 3i9v s ILE 175 Ca -0.01 -0.76 -0.03 0.00 -1.41 0.00 0.00 60.65 58.44 3i9v s ILE 175 Cb -0.12 -2.15 0.03 0.00 0.13 0.00 0.00 42.46 40.35 3i9v s ILE 175 CO -0.05 0.57 0.00 -0.22 -1.91 0.00 0.00 174.94 173.33 3i9v s LEU 176 N -0.34 3.62 -0.38 8.50 2.96 0.18 -2.41 118.68 130.80 3i9v s LEU 176 Ca 0.03 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 3i9v s LEU 176 Cb -0.13 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3i9v s LEU 176 CO 0.02 -0.19 0.24 -0.62 -1.32 0.00 0.00 176.35 174.48 3i9v s ASP 177 N 1.36 5.88 0.03 3.68 -1.08 0.39 -1.99 116.67 124.95 3i9v s ASP 177 Ca -0.01 -0.92 -0.04 0.00 -0.52 0.00 0.00 52.55 51.06 3i9v s ASP 177 Cb -0.18 -2.08 -0.29 0.00 -1.46 0.00 0.00 42.92 38.92 3i9v s ASP 177 CO -0.01 -0.40 0.98 0.03 0.52 0.00 0.00 175.17 176.29 3i9v h ARG 178 N 8.51 0.28 -0.86 4.34 3.08 -1.85 -3.19 114.38 124.69 3i9v h ARG 178 Ca -0.27 -0.48 0.17 0.00 0.07 0.00 0.00 59.98 59.48 3i9v h ARG 178 Cb 1.11 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.28 3i9v h ARG 178 CO 0.69 1.18 0.56 0.93 -1.07 0.00 0.00 179.97 182.26 3i9v h GLU 179 N 0.08 0.48 0.00 0.04 5.08 -1.87 -2.75 114.58 115.64 3i9v h GLU 179 Ca -0.20 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3i9v h GLU 179 Cb 2.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 3i9v h GLU 179 CO 0.19 0.32 -0.61 0.00 -1.00 0.00 0.00 179.01 177.91 3i9v h ARG 180 N 0.50 0.00 -6.38 2.33 3.08 -1.88 -3.39 114.38 108.63 3i9v h ARG 180 Ca 0.44 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.85 3i9v h ARG 180 Cb 0.94 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.05 3i9v h ARG 180 CO -0.17 0.44 0.60 0.00 -1.07 0.00 0.00 179.97 179.76 3i9v n ILE 182 N 2.85 2.24 -2.21 0.00 -5.35 -1.26 -4.97 119.36 110.66 3i9v n ILE 182 Ca 0.17 -1.39 -0.16 0.00 -0.27 0.00 0.00 62.75 61.10 3i9v n ILE 182 Cb 0.24 -0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.04 3i9v n ILE 182 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3i9v n HIS 183 N 0.62 -1.00 -0.00 4.28 8.25 -1.26 -4.99 115.22 121.12 3i9v n HIS 183 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3i9v n HIS 183 Cb 0.99 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 28.88 3i9v n HIS 183 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9v n LYS 185 N -0.39 0.72 -0.25 0.00 4.81 -1.26 -4.90 118.16 116.89 3i9v n LYS 185 Ca 0.00 -0.71 0.10 0.00 -0.87 0.00 0.00 58.31 56.83 3i9v n LYS 185 Cb 0.00 -0.74 0.20 0.00 0.02 0.00 0.00 35.03 34.50 3i9v n LYS 185 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9v n ARG 186 N -0.15 -0.06 0.10 1.64 1.74 -1.26 -0.81 116.66 117.86 3i9v n ARG 186 Ca 0.00 1.08 -0.05 0.00 -0.77 0.00 0.00 57.85 58.11 3i9v n ARG 186 Cb 0.28 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 3i9v n ARG 186 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9v h VAL 188 N -0.90 1.24 -0.08 0.00 -1.51 -1.64 -0.62 116.25 112.74 3i9v h VAL 188 Ca -0.03 -0.53 0.04 0.00 -1.23 0.00 0.00 66.70 64.95 3i9v h VAL 188 Cb 0.25 0.04 -0.06 0.00 -2.13 0.00 0.00 31.29 29.38 3i9v h VAL 188 CO 0.05 0.25 -0.40 -0.09 -1.23 0.00 0.00 177.57 176.15 3i9v h ARG 189 N 1.18 -0.49 -0.20 5.19 2.43 -1.12 -2.83 114.38 118.54 3i9v h ARG 189 Ca 0.31 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 3i9v h ARG 189 Cb -0.04 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3i9v h ARG 189 CO -0.06 -0.33 -0.10 -0.92 -1.51 0.00 0.00 179.97 177.06 3i9v h TYR 190 N -0.51 -0.23 -0.73 2.20 3.20 -0.84 -1.38 116.97 118.68 3i9v h TYR 190 Ca 0.07 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.10 3i9v h TYR 190 Cb 0.62 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 38.93 3i9v h TYR 190 CO -0.45 -0.15 0.25 0.74 -1.64 0.00 0.00 178.16 176.90 3i9v h PHE 191 N -0.08 0.41 -0.27 -3.82 0.04 -1.15 0.67 116.94 112.74 3i9v h PHE 191 Ca 0.11 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 3i9v h PHE 191 Cb 0.24 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3i9v h PHE 191 CO -0.26 0.01 -0.37 1.05 -0.60 0.00 0.00 178.31 178.14 3i9v h GLU 192 N 0.37 0.61 0.03 1.51 -0.00 -1.08 0.74 114.58 116.76 3i9v h GLU 192 Ca 0.40 -0.30 -0.32 0.00 -0.00 0.00 0.00 59.36 59.14 3i9v h GLU 192 Cb 0.64 -0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.34 3i9v h GLU 192 CO -0.43 0.89 -1.77 0.39 -0.00 0.00 0.00 179.01 178.08 3i9v n GLU 193 N -4.05 0.62 -0.03 1.06 1.02 -0.60 -4.06 120.64 114.60 3i9v n GLU 193 Ca -0.01 0.41 -0.02 0.00 -0.02 0.00 0.00 57.16 57.52 3i9v n GLU 193 Cb 0.50 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3i9v n GLU 193 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i9v n VAL 194 N -4.10 0.68 0.11 2.62 0.31 0.14 -4.57 118.33 113.53 3i9v n VAL 194 Ca -0.38 0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 64.14 3i9v n VAL 194 Cb 0.83 -1.93 -0.14 0.00 -0.91 0.00 0.00 33.84 31.68 3i9v n VAL 194 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i9v h PRO 195 N -0.48 0.34 -0.15 5.55 0.13 -1.71 -3.43 132.00 132.25 3i9v h PRO 195 Ca 0.00 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3i9v h PRO 195 Cb 0.24 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3i9v h PRO 195 CO 0.00 1.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.45 3i9v n GLY 196 N 1.59 0.79 2.61 1.56 0.00 0.04 -5.00 105.19 106.77 3i9v n GLY 196 Ca -0.11 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3i9v n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i9v s ASP 197 N -1.74 3.27 -0.96 1.61 1.01 0.03 -4.93 116.67 114.95 3i9v s ASP 197 Ca 0.00 -2.58 -0.20 0.00 0.71 0.00 0.00 52.55 50.48 3i9v s ASP 197 Cb 0.00 -0.80 -0.10 0.00 1.01 0.00 0.00 42.92 43.03 3i9v s ASP 197 CO 0.00 -0.26 1.99 -0.62 0.21 0.00 0.00 175.17 176.49 3i9v n GLU 198 N 3.58 1.86 -0.73 8.23 1.02 -1.26 -4.60 120.64 128.73 3i9v n GLU 198 Ca 0.12 -2.08 0.04 0.00 -0.02 0.00 0.00 57.16 55.22 3i9v n GLU 198 Cb 0.37 -3.06 0.30 0.00 -0.02 0.00 0.00 31.44 29.03 3i9v n GLU 198 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3i9v n VAL 199 N 5.88 2.59 -3.64 2.62 0.24 -1.26 -4.90 118.33 119.87 3i9v n VAL 199 Ca 0.50 -1.79 -0.08 0.00 -2.04 0.00 0.00 64.34 60.93 3i9v n VAL 199 Cb 0.40 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.41 3i9v n VAL 199 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3i9v s LEU 200 N -2.90 -0.89 0.28 1.34 2.96 -1.26 -4.65 118.68 113.55 3i9v s LEU 200 Ca 0.49 1.46 -0.17 0.00 -0.22 0.00 0.00 54.13 55.69 3i9v s LEU 200 Cb 0.39 2.36 0.01 0.00 0.50 0.00 0.00 46.19 49.45 3i9v s LEU 200 CO 0.11 -0.23 0.62 -0.62 -1.32 0.00 0.00 176.35 174.91 3i9v s ASP 201 N 1.44 -0.15 0.73 3.68 -1.08 -1.00 -4.61 116.67 115.68 3i9v s ASP 201 Ca -0.08 -0.79 -0.12 0.00 -0.52 0.00 0.00 52.55 51.04 3i9v s ASP 201 Cb -0.05 0.68 0.03 0.00 -1.46 0.00 0.00 42.92 42.12 3i9v s ASP 201 CO -0.17 -1.29 1.11 -0.36 0.52 0.00 0.00 175.17 174.99 3i9v s PHE 202 N -3.84 3.21 0.00 -5.34 0.08 -1.26 -1.19 117.98 109.64 3i9v s PHE 202 Ca 0.16 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.22 3i9v s PHE 202 Cb -0.04 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3i9v s PHE 202 CO 0.08 -1.34 0.00 -0.89 -0.10 0.00 0.00 175.22 172.97 3i9v n ILE 203 N -3.11 0.00 0.00 0.64 2.08 0.36 -4.84 119.36 114.49 3i9v n ILE 203 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 3i9v n ILE 203 Cb 0.58 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 3i9v n ILE 203 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i9v n GLU 204 N 0.00 2.52 -2.73 0.38 1.02 -1.26 -4.88 120.64 115.70 3i9v n GLU 204 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3i9v n GLU 204 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3i9v n GLU 204 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i9v n ARG 205 N 0.00 0.30 0.00 3.49 1.85 -1.26 -4.50 116.66 116.54 3i9v n ARG 205 Ca 0.00 -1.31 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 3i9v n ARG 205 Cb 0.00 1.23 0.00 0.00 -1.05 0.00 0.00 32.46 32.64 3i9v n ARG 205 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i9v n GLY 206 N -0.27 1.53 0.00 2.89 0.00 -1.26 -1.78 105.19 106.30 3i9v n GLY 206 Ca 0.01 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.49 3i9v n GLY 206 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9v n VAL 207 N 0.00 0.00 0.54 1.61 0.24 -1.26 -3.94 118.33 115.52 3i9v n VAL 207 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 3i9v n VAL 207 Cb 0.00 -0.46 -0.14 0.00 -1.47 0.00 0.00 33.84 31.77 3i9v n VAL 207 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i9v n HIS 208 N -0.95 0.01 -1.32 6.34 8.25 -0.73 -4.99 115.22 121.83 3i9v n HIS 208 Ca 0.21 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.34 3i9v n HIS 208 Cb 0.10 -0.24 0.10 0.00 1.12 0.00 0.00 29.99 31.07 3i9v n HIS 208 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3i9v s THR 209 N -3.24 2.32 0.21 1.59 -4.23 -1.15 -4.59 115.64 106.55 3i9v s THR 209 Ca 0.01 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.44 3i9v s THR 209 Cb 0.15 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.41 3i9v s THR 209 CO 0.89 -0.09 0.65 0.72 -0.54 0.00 0.00 174.62 176.24 3i9v s PHE 210 N -2.12 -0.39 0.23 3.99 -0.12 -1.26 -4.89 117.98 113.43 3i9v s PHE 210 Ca 0.73 0.07 -0.25 0.00 -0.05 0.00 0.00 56.93 57.43 3i9v s PHE 210 Cb -0.28 0.62 -0.09 0.00 -0.63 0.00 0.00 43.02 42.65 3i9v s PHE 210 CO 0.48 -1.01 0.83 0.42 -0.05 0.00 0.00 175.22 175.88 3i9v s ILE 211 N -3.82 4.34 0.33 -4.49 -1.09 -1.26 -0.49 121.20 114.72 3i9v s ILE 211 Ca 0.05 1.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.97 3i9v s ILE 211 Cb -0.03 -4.05 0.04 0.00 -1.58 0.00 0.00 42.46 36.83 3i9v s ILE 211 CO -0.04 0.33 0.73 -0.83 -1.23 0.00 0.00 174.94 173.90 3i9v s GLY 212 N -1.42 0.22 0.17 6.18 0.00 -0.33 -4.93 107.32 107.22 3i9v s GLY 212 Ca 0.42 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3i9v s GLY 212 CO 0.25 -0.26 0.04 -1.08 0.00 0.00 0.00 173.10 172.05 3i9v s THR 213 N -3.11 0.43 0.00 0.90 -1.32 -1.26 -2.37 115.64 108.91 3i9v s THR 213 Ca 0.14 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 3i9v s THR 213 Cb -0.05 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 3i9v s THR 213 CO 0.10 -0.39 0.00 0.23 -2.21 0.00 0.00 174.62 172.35 3i9v n MET 214 N -0.22 3.02 -2.56 7.08 2.81 -1.26 -4.88 117.12 121.11 3i9v n MET 214 Ca -0.05 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.41 3i9v n MET 214 Cb 0.64 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 3i9v n MET 214 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i9v n ASP 215 N -0.73 5.26 -0.34 7.83 9.92 -1.26 -4.92 116.55 132.30 3i9v n ASP 215 Ca 0.00 -3.11 0.11 0.00 -0.53 0.00 0.00 54.79 51.26 3i9v n ASP 215 Cb 0.00 -1.47 0.23 0.00 -0.64 0.00 0.00 41.12 39.24 3i9v n ASP 215 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 3i9v h PHE 216 N 6.03 -0.22 -0.27 1.24 -1.00 -1.90 -0.63 116.94 120.18 3i9v h PHE 216 Ca 0.35 0.08 0.08 0.00 2.81 0.00 0.00 57.97 61.29 3i9v h PHE 216 Cb 0.68 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 3i9v h PHE 216 CO 1.18 -0.43 0.33 0.78 -1.61 0.00 0.00 178.31 178.57 3i9v h GLY 217 N 0.01 0.00 -4.32 -1.45 0.00 -1.92 -3.41 103.07 91.98 3i9v h GLY 217 Ca 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.74 3i9v h GLY 217 CO -0.95 0.00 -0.47 1.04 0.00 0.00 0.00 176.54 176.16 3i9v n LEU 218 N -3.65 -3.92 0.00 3.11 7.99 -0.24 -4.44 117.00 115.85 3i9v n LEU 218 Ca 0.04 -0.39 0.00 0.00 -0.01 0.00 0.00 56.01 55.65 3i9v n LEU 218 Cb 0.47 -2.01 0.00 0.00 -0.11 0.00 0.00 43.42 41.77 3i9v n LEU 218 CO 0.26 0.08 0.17 -2.65 -1.51 0.00 0.00 177.39 173.74 3i9v n PRO 219 N -2.50 0.00 -0.97 3.23 -0.02 -1.26 -4.82 135.00 128.66 3i9v n PRO 219 Ca -0.06 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 3i9v n PRO 219 Cb 0.57 -0.57 0.05 0.00 -0.02 0.00 0.00 33.50 33.53 3i9v n PRO 219 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i9v n SER 220 N -1.66 -5.34 -1.73 2.55 3.41 -1.26 -4.86 113.62 104.73 3i9v n SER 220 Ca 0.00 0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 3i9v n SER 220 Cb 0.00 -0.84 0.36 0.00 -0.26 0.00 0.00 64.21 63.47 3i9v n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9v n GLY 221 N 3.14 2.80 1.57 5.00 0.00 -1.26 -4.02 105.19 112.42 3i9v n GLY 221 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 3i9v n GLY 221 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9v n PHE 222 N 0.61 0.74 0.77 1.61 3.72 -1.26 -1.96 117.46 121.69 3i9v n PHE 222 Ca 0.25 -1.43 0.13 0.00 -0.05 0.00 0.00 57.45 56.35 3i9v n PHE 222 Cb 1.08 -0.23 0.37 0.00 -0.94 0.00 0.00 39.48 39.76 3i9v n PHE 222 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i9v n SER 223 N -0.42 0.52 0.14 4.37 3.41 -1.26 -3.67 113.62 116.72 3i9v n SER 223 Ca 0.17 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3i9v n SER 223 Cb 0.91 -0.29 0.39 0.00 -0.26 0.00 0.00 64.21 64.96 3i9v n SER 223 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i9v h GLY 224 N 4.72 0.00 1.52 5.00 0.00 -1.89 -3.27 103.07 109.15 3i9v h GLY 224 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3i9v h GLY 224 CO 0.00 0.00 -0.35 3.43 0.00 0.00 0.00 176.54 179.62 3i9v h ASN 225 N 0.00 0.57 -0.24 0.19 2.35 -1.84 -2.07 115.58 114.54 3i9v h ASN 225 Ca 0.00 -0.23 0.07 0.00 -0.55 0.00 0.00 56.30 55.59 3i9v h ASN 225 Cb 0.72 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3i9v h ASN 225 CO 0.00 0.87 0.28 0.16 -1.65 0.00 0.00 177.43 177.09 3i9v h ILE 226 N 0.46 0.40 -0.77 2.81 3.07 -1.81 -1.49 117.51 120.17 3i9v h ILE 226 Ca 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.44 3i9v h ILE 226 Cb 0.82 0.77 -0.04 0.00 -0.27 0.00 0.00 36.82 38.11 3i9v h ILE 226 CO 0.07 0.00 0.41 0.74 -1.05 0.00 0.00 178.15 178.32 3i9v h THR 227 N 0.00 1.23 0.00 0.16 2.02 -1.58 -1.63 112.91 113.12 3i9v h THR 227 Ca 0.11 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3i9v h THR 227 Cb 0.68 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3i9v h THR 227 CO -0.00 0.26 -0.71 0.44 0.37 0.00 0.00 175.52 175.88 3i9v h ASP 228 N 1.08 0.00 0.00 4.18 5.19 -1.41 -3.39 116.42 122.08 3i9v h ASP 228 Ca 0.27 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 3i9v h ASP 228 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3i9v h ASP 228 CO -0.04 0.11 -0.74 0.40 -3.12 0.00 0.00 179.24 175.85 3i9v h ILE 229 N 0.00 0.50 -0.45 0.35 2.04 -1.37 -3.47 117.51 115.11 3i9v h ILE 229 Ca 0.00 -1.57 -0.60 0.00 1.00 0.00 0.00 64.86 63.68 3i9v h ILE 229 Cb 0.76 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3i9v h ILE 229 CO 0.00 0.17 0.66 0.00 0.00 0.00 0.00 178.15 178.98 3i9v h PRO 231 N 4.66 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 131.44 3i9v h PRO 231 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3i9v h PRO 231 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i9v h PRO 231 CO 0.73 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.83 3i9v n VAL 232 N -2.76 0.00 -1.93 1.56 0.24 -1.26 -2.61 118.33 111.57 3i9v n VAL 232 Ca -0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 3i9v n VAL 232 Cb 0.17 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.58 3i9v n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9v n GLY 233 N 3.37 5.57 0.06 7.63 0.00 -1.26 -4.44 105.19 116.12 3i9v n GLY 233 Ca 0.00 -2.49 -0.06 0.00 0.00 0.00 0.00 46.02 43.47 3i9v n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v h ALA 234 N 2.92 0.02 -2.38 4.61 0.00 -1.86 -3.40 119.26 119.17 3i9v h ALA 234 Ca 0.55 -0.30 -0.74 0.00 0.00 0.00 0.00 54.91 54.43 3i9v h ALA 234 Cb 0.12 0.14 -0.25 0.00 0.00 0.00 0.00 17.79 17.80 3i9v h ALA 234 CO 1.41 0.13 -0.33 -0.51 0.00 0.00 0.00 179.25 179.95 3i9v s LEU 235 N -8.36 5.74 0.11 0.00 1.43 -1.26 -0.46 118.68 115.87 3i9v s LEU 235 Ca -0.09 -1.61 0.10 0.00 -1.03 0.00 0.00 54.13 51.50 3i9v s LEU 235 Cb 0.00 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3i9v s LEU 235 CO 0.25 -0.70 -0.25 -0.76 0.23 0.00 0.00 176.35 175.12 3i9v s LEU 236 N 1.54 2.30 -0.49 1.79 1.43 -1.01 -4.49 118.68 119.75 3i9v s LEU 236 Ca 0.04 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 3i9v s LEU 236 Cb -0.26 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3i9v s LEU 236 CO 0.03 0.15 2.08 -0.62 0.23 0.00 0.00 176.35 178.23 3i9v s ASP 237 N -1.92 5.08 0.53 2.29 -1.08 -1.26 -1.44 116.67 118.87 3i9v s ASP 237 Ca 0.12 0.91 0.32 0.00 -0.52 0.00 0.00 52.55 53.37 3i9v s ASP 237 Cb -0.10 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.23 3i9v s ASP 237 CO 0.05 -2.42 2.00 0.25 0.52 0.00 0.00 175.17 175.58 3i9v h LEU 238 N 17.02 0.00 -2.52 -1.34 5.85 -1.56 -2.44 115.31 130.32 3i9v h LEU 238 Ca -0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3i9v h LEU 238 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3i9v h LEU 238 CO 1.14 0.07 -0.02 0.00 -0.34 0.00 0.00 178.44 179.29 3i9v h THR 239 N 0.00 0.26 -0.02 1.05 1.03 -1.81 -2.92 112.91 110.51 3i9v h THR 239 Ca -0.00 -0.14 -0.11 0.00 -0.01 0.00 0.00 66.41 66.15 3i9v h THR 239 Cb 0.49 1.10 -0.22 0.00 -1.07 0.00 0.00 68.15 68.45 3i9v h THR 239 CO 0.01 0.02 -0.81 0.00 -0.01 0.00 0.00 175.52 174.73 3i9v n ALA 240 N -2.19 2.96 -1.78 0.00 0.00 -0.93 -4.96 120.51 113.61 3i9v n ALA 240 Ca -0.02 -2.79 -0.41 0.00 0.00 0.00 0.00 53.44 50.22 3i9v n ALA 240 Cb 0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 3i9v n ALA 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i9v s ARG 241 N -1.50 4.27 -1.09 0.00 3.52 -1.10 -4.06 118.95 118.99 3i9v s ARG 241 Ca 0.36 2.34 -0.20 0.00 -0.13 0.00 0.00 55.73 58.10 3i9v s ARG 241 Cb 0.38 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 3i9v s ARG 241 CO -0.12 -0.31 0.75 1.19 -0.81 0.00 0.00 175.30 175.99 3i9v n PHE 242 N 0.71 -1.89 -0.03 5.12 3.01 -1.26 -4.93 117.46 118.19 3i9v n PHE 242 Ca 0.00 0.46 -0.07 0.00 1.01 0.00 0.00 57.45 58.85 3i9v n PHE 242 Cb 0.41 -3.28 -0.03 0.00 -0.01 0.00 0.00 39.48 36.57 3i9v n PHE 242 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3i9v n ARG 243 N -4.04 0.15 -3.50 -1.08 5.12 -1.26 -5.11 116.66 106.94 3i9v n ARG 243 Ca -0.11 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.77 3i9v n ARG 243 Cb 0.59 -0.81 -0.02 0.00 -1.16 0.00 0.00 32.46 31.06 3i9v n ARG 243 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i9v s ALA 244 N -2.13 -1.69 0.39 7.54 0.00 -1.26 -5.13 121.76 119.48 3i9v s ALA 244 Ca -0.10 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 3i9v s ALA 244 Cb 0.03 0.64 -0.09 0.00 0.00 0.00 0.00 23.12 23.71 3i9v s ALA 244 CO 0.13 -0.76 1.05 1.03 0.00 0.00 0.00 175.76 177.21 3i9v s ARG 245 N -3.42 4.21 0.50 0.00 1.81 -1.26 -4.93 118.95 115.86 3i9v s ARG 245 Ca 0.04 1.53 0.33 0.00 -1.72 0.00 0.00 55.73 55.91 3i9v s ARG 245 Cb -0.01 -2.60 1.45 0.00 -0.45 0.00 0.00 34.95 33.34 3i9v s ARG 245 CO -0.09 -0.11 1.78 -0.91 -0.68 0.00 0.00 175.30 175.29 3i9v h ASN 246 N 2.61 0.12 0.94 0.23 2.35 -1.96 0.10 115.58 119.97 3i9v h ASN 246 Ca -0.48 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.12 3i9v h ASN 246 Cb 1.21 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3i9v h ASN 246 CO 0.63 0.01 -0.83 4.11 -1.65 0.00 0.00 177.43 179.69 3i9v h TRP 247 N 0.10 0.00 0.00 1.19 0.09 -1.96 -3.27 115.95 112.10 3i9v h TRP 247 Ca 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.55 3i9v h TRP 247 Cb 2.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 31.41 3i9v h TRP 247 CO -0.00 0.83 -0.17 0.93 0.09 0.00 0.00 178.44 180.12 3i9v h GLU 248 N 0.00 0.00 -6.57 0.12 5.08 -1.17 -3.43 114.58 108.62 3i9v h GLU 248 Ca -0.01 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 3i9v h GLU 248 Cb 1.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.80 3i9v h GLU 248 CO 0.11 0.17 0.67 -1.64 -1.00 0.00 0.00 179.01 177.32 3i9v s MET 249 N -4.45 4.36 0.02 2.33 -1.94 -1.22 -4.85 119.30 113.55 3i9v s MET 249 Ca -0.03 2.01 -0.27 0.00 -1.71 0.00 0.00 55.69 55.68 3i9v s MET 249 Cb 0.15 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.69 3i9v s MET 249 CO 0.66 -0.35 0.85 -2.00 -0.01 0.00 0.00 175.02 174.16 3i9v s GLU 250 N 0.76 4.54 -0.23 2.03 2.12 -0.85 -4.91 118.70 122.16 3i9v s GLU 250 Ca 0.61 1.19 -0.06 0.00 0.36 0.00 0.00 54.97 57.07 3i9v s GLU 250 Cb -0.35 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 3i9v s GLU 250 CO 0.32 0.14 0.03 -1.21 -0.54 0.00 0.00 175.26 174.00 3i9v s GLU 251 N 0.41 3.59 -0.40 4.30 2.02 -1.26 -1.72 118.70 125.64 3i9v s GLU 251 Ca 0.43 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 3i9v s GLU 251 Cb -0.21 -3.21 0.10 0.00 0.10 0.00 0.00 34.13 30.92 3i9v s GLU 251 CO 0.25 -0.14 0.18 0.99 0.02 0.00 0.00 175.26 176.56 3i9v s THR 252 N 1.45 3.25 0.08 3.63 2.01 -0.05 -4.93 115.64 121.09 3i9v s THR 252 Ca 0.05 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.75 3i9v s THR 252 Cb -0.15 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 3i9v s THR 252 CO 0.02 -0.64 1.33 -2.16 -0.69 0.00 0.00 174.62 172.48 3i9v s PRO 253 N 1.15 4.35 0.00 4.92 0.04 -1.26 -0.69 135.00 143.51 3i9v s PRO 253 Ca 0.07 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3i9v s PRO 253 Cb -0.22 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3i9v s PRO 253 CO -0.04 -0.39 0.00 -2.37 0.04 0.00 0.00 177.00 174.24 3i9v n THR 254 N 4.03 0.00 -4.24 1.26 5.66 -0.43 -4.12 114.28 116.44 3i9v n THR 254 Ca 0.11 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.90 3i9v n THR 254 Cb 0.44 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.10 3i9v n THR 254 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3i9v s THR 255 N -0.12 1.46 -0.27 1.09 2.01 -1.20 -1.92 115.64 116.68 3i9v s THR 255 Ca 0.00 -1.53 -0.15 0.00 0.31 0.00 0.00 61.69 60.32 3i9v s THR 255 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3i9v s THR 255 CO 0.00 -0.20 0.37 0.00 -0.69 0.00 0.00 174.62 174.10 3i9v n ALA 257 N 5.33 2.38 0.46 0.00 0.00 -1.26 -3.74 120.51 123.68 3i9v n ALA 257 Ca -0.09 -1.15 0.04 0.00 0.00 0.00 0.00 53.44 52.24 3i9v n ALA 257 Cb 0.51 -0.86 0.23 0.00 0.00 0.00 0.00 19.45 19.32 3i9v n ALA 257 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9v n LEU 258 N 1.51 0.00 -3.95 0.00 4.77 -1.26 -4.70 117.00 113.37 3i9v n LEU 258 Ca 0.21 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3i9v n LEU 258 Cb 0.60 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3i9v n LEU 258 CO 0.16 -0.05 0.99 0.00 -1.33 0.00 0.00 177.39 177.16 3i9v h PRO 260 N 2.00 0.00 -0.51 0.00 0.11 -1.79 -3.30 132.00 128.51 3i9v h PRO 260 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 3i9v h PRO 260 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3i9v h PRO 260 CO 0.33 0.21 0.09 -0.39 -0.21 0.00 0.00 178.00 178.03 3i9v h VAL 261 N 0.00 1.25 -4.50 3.15 -1.51 -1.90 -1.82 116.25 110.92 3i9v h VAL 261 Ca -0.00 -0.93 -0.15 0.00 -1.23 0.00 0.00 66.70 64.38 3i9v h VAL 261 Cb 0.58 0.87 0.12 0.00 -2.13 0.00 0.00 31.29 30.72 3i9v h VAL 261 CO 0.03 0.33 -0.53 0.61 -1.23 0.00 0.00 177.57 176.78 3i9v n GLY 262 N -0.54 -0.36 3.75 5.19 0.00 -1.25 -4.72 105.19 107.27 3i9v n GLY 262 Ca 0.01 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3i9v n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v s GLY 264 N -0.58 1.43 0.26 0.00 0.00 -1.26 -0.73 107.32 106.44 3i9v s GLY 264 Ca 0.47 1.45 0.02 0.00 0.00 0.00 0.00 44.72 46.66 3i9v s GLY 264 CO 0.41 2.72 0.07 -0.26 0.00 0.00 0.00 173.10 176.04 3i9v s ILE 265 N 1.16 0.78 -0.11 0.90 -4.36 -0.81 -1.51 121.20 117.25 3i9v s ILE 265 Ca 0.72 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 3i9v s ILE 265 Cb -0.46 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.66 3i9v s ILE 265 CO 0.31 -0.08 -0.20 -0.89 0.24 0.00 0.00 174.94 174.32 3i9v s THR 266 N -3.60 1.82 -0.30 8.37 2.01 -0.95 -1.32 115.64 121.67 3i9v s THR 266 Ca 0.35 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 3i9v s THR 266 Cb 0.08 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 3i9v s THR 266 CO 0.13 0.50 0.13 0.00 -0.69 0.00 0.00 174.62 174.69 3i9v s ALA 267 N 0.64 3.21 -0.26 7.40 0.00 0.13 -2.37 121.76 130.51 3i9v s ALA 267 Ca -0.13 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 3i9v s ALA 267 Cb -0.16 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3i9v s ALA 267 CO 0.03 -0.89 0.22 -0.51 0.00 0.00 0.00 175.76 174.61 3i9v s ASP 268 N 1.58 6.11 0.00 0.00 1.01 -0.80 -0.87 116.67 123.71 3i9v s ASP 268 Ca 0.04 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.41 3i9v s ASP 268 Cb -0.17 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 3i9v s ASP 268 CO 0.05 -0.03 -0.02 0.42 0.21 0.00 0.00 175.17 175.80 3i9v s THR 269 N 1.54 0.12 -0.21 -1.27 -4.23 -0.70 -1.56 115.64 109.32 3i9v s THR 269 Ca 0.09 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 3i9v s THR 269 Cb -0.15 -0.13 0.07 0.00 1.34 0.00 0.00 72.50 73.63 3i9v s THR 269 CO 0.08 -0.04 0.09 -0.60 -0.54 0.00 0.00 174.62 173.61 3i9v s ARG 270 N -0.23 0.29 -0.30 3.99 3.52 -1.21 -2.01 118.95 123.00 3i9v s ARG 270 Ca -0.02 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3i9v s ARG 270 Cb -0.02 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 3i9v s ARG 270 CO -0.00 -0.76 0.25 0.43 -0.81 0.00 0.00 175.30 174.41 3i9v n SER 271 N 5.18 -2.40 0.00 -2.12 7.64 -1.26 -3.98 113.62 116.67 3i9v n SER 271 Ca -0.07 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3i9v n SER 271 Cb 0.46 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3i9v n SER 271 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i9v n GLY 272 N -0.96 2.84 3.89 0.23 0.00 -1.19 -4.95 105.19 105.05 3i9v n GLY 272 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3i9v n GLY 272 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i9v s GLU 273 N -0.10 3.68 -0.40 1.61 -1.05 -1.26 -0.76 118.70 120.42 3i9v s GLU 273 Ca 0.00 0.02 -0.24 0.00 -0.15 0.00 0.00 54.97 54.61 3i9v s GLU 273 Cb 0.00 -2.84 0.02 0.00 -0.44 0.00 0.00 34.13 30.86 3i9v s GLU 273 CO 0.00 0.46 0.81 -1.17 0.95 0.00 0.00 175.26 176.31 3i9v s LEU 274 N -2.53 4.14 -0.15 1.83 2.96 -1.26 -3.31 118.68 120.35 3i9v s LEU 274 Ca 0.40 0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 3i9v s LEU 274 Cb -0.12 -3.05 -0.11 0.00 0.50 0.00 0.00 46.19 43.41 3i9v s LEU 274 CO 0.23 -0.84 0.17 -0.07 -1.32 0.00 0.00 176.35 174.51 3i9v h LEU 275 N 10.00 0.00 -7.01 -0.68 -0.00 -1.68 -3.48 115.31 112.46 3i9v h LEU 275 Ca -0.25 -0.34 -0.05 0.00 -0.00 0.00 0.00 57.88 57.25 3i9v h LEU 275 Cb 1.09 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.54 3i9v h LEU 275 CO 0.95 0.91 0.12 -0.60 -0.00 0.00 0.00 178.44 179.82 3i9v s ARG 276 N -2.08 0.85 -0.04 1.13 3.52 -1.17 -4.44 118.95 116.72 3i9v s ARG 276 Ca -0.15 0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 3i9v s ARG 276 Cb 0.01 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 3i9v s ARG 276 CO 0.35 -0.12 0.10 0.42 -0.81 0.00 0.00 175.30 175.24 3i9v s ILE 277 N 0.19 4.97 0.29 4.11 -1.09 -1.26 -1.90 121.20 126.52 3i9v s ILE 277 Ca -0.01 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 3i9v s ILE 277 Cb -0.04 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 3i9v s ILE 277 CO 0.02 0.44 0.16 -0.13 -1.23 0.00 0.00 174.94 174.21 3i9v s ARG 278 N -1.49 1.55 -0.04 2.79 0.52 -1.00 -4.94 118.95 116.34 3i9v s ARG 278 Ca 0.21 -1.88 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 3i9v s ARG 278 Cb -0.12 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 3i9v s ARG 278 CO 0.11 -0.45 0.33 0.00 0.02 0.00 0.00 175.30 175.30 3i9v s ALA 279 N -3.67 3.75 -0.23 2.13 0.00 -1.26 -2.23 121.76 120.25 3i9v s ALA 279 Ca 0.37 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 3i9v s ALA 279 Cb 0.05 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3i9v s ALA 279 CO 0.17 0.52 0.02 0.50 0.00 0.00 0.00 175.76 176.97 3i9v s ARG 280 N -1.03 3.53 0.28 0.00 3.52 -0.57 -4.64 118.95 120.05 3i9v s ARG 280 Ca 0.21 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 3i9v s ARG 280 Cb -0.15 -3.17 -0.13 0.00 -1.56 0.00 0.00 34.95 29.93 3i9v s ARG 280 CO 0.10 -0.17 1.26 -1.91 -0.81 0.00 0.00 175.30 173.77 3i9v n GLU 281 N 4.81 1.84 -2.72 5.12 2.13 -1.26 -4.29 120.64 126.27 3i9v n GLU 281 Ca -0.17 0.65 -0.06 0.00 0.66 0.00 0.00 57.16 58.24 3i9v n GLU 281 Cb 0.51 -2.20 0.05 0.00 0.27 0.00 0.00 31.44 30.07 3i9v n GLU 281 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3i9v n VAL 282 N 0.95 0.00 -0.23 6.31 3.14 -0.47 -4.96 118.33 123.08 3i9v n VAL 282 Ca 0.09 -1.11 0.30 0.00 -2.96 0.00 0.00 64.34 60.67 3i9v n VAL 282 Cb 0.33 1.24 0.73 0.00 -1.06 0.00 0.00 33.84 35.07 3i9v n VAL 282 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3i9v h PRO 283 N 3.98 0.01 -0.37 1.45 0.13 -1.72 -1.29 132.00 134.20 3i9v h PRO 283 Ca -0.12 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.04 3i9v h PRO 283 Cb 1.10 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 3i9v h PRO 283 CO 0.11 0.01 0.15 0.93 -0.23 0.00 0.00 178.00 178.97 3i9v h GLU 284 N 0.01 0.31 0.00 0.86 4.39 -1.97 -3.42 114.58 114.76 3i9v h GLU 284 Ca 0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3i9v h GLU 284 Cb 1.87 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 3i9v h GLU 284 CO -0.01 0.20 0.00 1.55 -1.16 0.00 0.00 179.01 179.59 3i9v n VAL 285 N -4.99 0.00 -2.20 3.13 3.14 -0.48 -4.53 118.33 112.39 3i9v n VAL 285 Ca 0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.03 3i9v n VAL 285 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 3i9v n VAL 285 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i9v s ASN 286 N -1.00 5.84 0.00 6.55 4.22 -1.25 -5.01 114.94 124.29 3i9v s ASN 286 Ca 0.00 2.29 0.00 0.00 -2.14 0.00 0.00 52.86 53.01 3i9v s ASN 286 Cb 0.00 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.93 3i9v s ASN 286 CO 0.00 -1.14 0.00 -0.62 -2.04 0.00 0.00 177.10 173.30 3i9v n GLU 287 N -0.95 0.00 -0.79 3.55 1.02 -1.26 -3.69 120.64 118.52 3i9v n GLU 287 Ca 0.10 0.11 0.04 0.00 -0.02 0.00 0.00 57.16 57.38 3i9v n GLU 287 Cb 0.49 -0.50 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 3i9v n GLU 287 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3i9v n ILE 288 N -1.28 0.54 -4.98 -3.67 -5.35 -1.26 -1.37 119.36 101.97 3i9v n ILE 288 Ca 0.00 -1.06 -0.32 0.00 -0.27 0.00 0.00 62.75 61.10 3i9v n ILE 288 Cb 0.00 0.48 -0.14 0.00 -1.74 0.00 0.00 39.64 38.24 3i9v n ILE 288 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 3i9v s TRP 289 N -0.80 2.59 0.21 4.28 0.52 -1.26 -4.86 118.94 119.61 3i9v s TRP 289 Ca 0.21 -0.24 0.11 0.00 0.02 0.00 0.00 56.10 56.19 3i9v s TRP 289 Cb 0.22 -1.58 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 3i9v s TRP 289 CO -0.06 0.13 -0.21 0.42 0.02 0.00 0.00 176.95 177.25 3i9v s ILE 290 N -0.72 2.24 0.22 2.03 -1.09 -1.26 -4.90 121.20 117.71 3i9v s ILE 290 Ca 0.11 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 3i9v s ILE 290 Cb -0.10 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 3i9v s ILE 290 CO 0.01 -0.25 0.39 0.00 -1.23 0.00 0.00 174.94 173.86 3i9v h ASP 292 N 1.79 0.88 -0.42 0.00 3.32 -1.77 0.17 116.42 120.38 3i9v h ASP 292 Ca -0.49 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 3i9v h ASP 292 Cb 1.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3i9v h ASP 292 CO 0.67 0.57 -0.27 0.00 -1.72 0.00 0.00 179.24 178.48 3i9v h ALA 293 N 1.52 0.60 -0.77 3.45 0.00 -1.93 0.24 119.26 122.37 3i9v h ALA 293 Ca 0.38 -0.41 0.22 0.00 0.00 0.00 0.00 54.91 55.10 3i9v h ALA 293 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3i9v h ALA 293 CO -0.14 0.62 0.55 0.78 0.00 0.00 0.00 179.25 181.07 3i9v h GLY 294 N 0.76 0.05 0.00 0.00 0.00 -1.12 -3.16 103.07 99.60 3i9v h GLY 294 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3i9v h GLY 294 CO 0.07 0.00 -1.20 -2.13 0.00 0.00 0.00 176.54 173.28 3i9v n ARG 295 N -4.32 3.07 -0.02 4.80 0.63 -0.37 -4.74 116.66 115.72 3i9v n ARG 295 Ca 0.16 -0.01 0.05 0.00 -0.92 0.00 0.00 57.85 57.13 3i9v n ARG 295 Cb 0.83 -1.08 0.06 0.00 0.45 0.00 0.00 32.46 32.72 3i9v n ARG 295 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i9v n PHE 296 N -2.05 0.06 -3.07 -0.14 3.72 0.79 -4.17 117.46 112.60 3i9v n PHE 296 Ca -0.04 -0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 56.89 3i9v n PHE 296 Cb 0.53 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 3i9v n PHE 296 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9v n GLY 297 N 0.56 5.17 0.00 1.37 0.00 -1.19 -4.36 105.19 106.73 3i9v n GLY 297 Ca 0.07 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.40 3i9v n GLY 297 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i9v n HIS 298 N 1.12 0.00 -0.23 1.61 1.44 -1.26 -4.78 115.22 113.12 3i9v n HIS 298 Ca 0.28 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.12 3i9v n HIS 298 Cb 0.34 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.70 3i9v n HIS 298 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3i9v n GLU 299 N -0.80 -0.05 0.12 -1.40 -0.58 -1.26 -1.71 120.64 114.96 3i9v n GLU 299 Ca 0.00 0.99 0.08 0.00 -0.42 0.00 0.00 57.16 57.81 3i9v n GLU 299 Cb 0.00 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 29.28 3i9v n GLU 299 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 3i9v h TRP 300 N 0.00 0.00 -0.00 -0.32 5.08 -1.85 -3.27 115.95 115.58 3i9v h TRP 300 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.42 3i9v h TRP 300 Cb 1.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 3i9v h TRP 300 CO -0.26 0.18 -0.09 0.00 -1.28 0.00 0.00 178.44 176.99 3i9v n ALA 301 N -2.21 2.62 -0.27 0.11 0.00 -0.69 -3.57 120.51 116.50 3i9v n ALA 301 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i9v n ALA 301 Cb 0.63 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3i9v n ALA 301 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i9v n ASP 302 N -1.34 0.89 -0.00 0.00 3.85 -1.25 -4.94 116.55 113.77 3i9v n ASP 302 Ca 0.10 -1.16 -0.00 0.00 -0.71 0.00 0.00 54.79 53.01 3i9v n ASP 302 Cb 0.30 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.07 3i9v n ASP 302 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 3i9v n GLN 303 N -0.08 0.01 -4.07 0.11 -0.06 -1.23 -4.89 117.38 107.16 3i9v n GLN 303 Ca 0.00 0.06 -0.33 0.00 -2.00 0.00 0.00 57.00 54.72 3i9v n GLN 303 Cb 0.12 -0.57 -0.15 0.00 -4.06 0.00 0.00 30.24 25.58 3i9v n GLN 303 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3i9v s ASN 304 N -3.93 3.56 -0.05 1.69 0.01 -1.26 -5.10 114.94 109.87 3i9v s ASN 304 Ca -0.00 -0.73 -0.18 0.00 -0.71 0.00 0.00 52.86 51.24 3i9v s ASN 304 Cb 0.00 -1.54 0.03 0.00 0.41 0.00 0.00 41.25 40.15 3i9v s ASN 304 CO 0.01 -0.04 0.40 -0.60 -1.51 0.00 0.00 177.10 175.35 3i9v s ARG 305 N 1.29 0.70 -0.23 -0.60 3.52 -1.26 -4.81 118.95 117.56 3i9v s ARG 305 Ca 0.03 0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.38 3i9v s ARG 305 Cb -0.14 0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 3i9v s ARG 305 CO -0.10 -0.18 1.21 -1.17 -0.81 0.00 0.00 175.30 174.25 3i9v s LEU 306 N -1.00 4.05 -0.01 -0.88 2.96 -0.92 -4.95 118.68 117.94 3i9v s LEU 306 Ca -0.10 1.42 0.15 0.00 -0.22 0.00 0.00 54.13 55.38 3i9v s LEU 306 Cb -0.04 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.91 3i9v s LEU 306 CO 0.05 -0.85 0.47 0.29 -1.32 0.00 0.00 176.35 174.98 3i9v n LYS 307 N 6.79 1.24 -4.31 1.98 5.02 -1.26 -4.73 118.16 122.89 3i9v n LYS 307 Ca 0.14 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 3i9v n LYS 307 Cb 0.46 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 3i9v n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i9v s THR 308 N -2.74 1.20 0.10 -0.18 -4.23 -1.26 -1.06 115.64 107.46 3i9v s THR 308 Ca -0.00 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 3i9v s THR 308 Cb 0.10 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 3i9v s THR 308 CO 0.62 -0.49 1.20 -2.16 -0.54 0.00 0.00 174.62 173.25 3i9v s PRO 309 N -3.79 4.45 0.13 3.99 0.04 -1.26 -4.17 135.00 134.38 3i9v s PRO 309 Ca 0.24 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3i9v s PRO 309 Cb 0.04 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3i9v s PRO 309 CO 0.06 -0.21 0.22 -0.51 0.04 0.00 0.00 177.00 176.59 3i9v s LEU 310 N 0.72 4.17 0.01 -3.56 1.43 0.06 -2.30 118.68 119.21 3i9v s LEU 310 Ca 0.57 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 3i9v s LEU 310 Cb -0.31 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.15 3i9v s LEU 310 CO 0.31 0.09 0.18 0.54 0.23 0.00 0.00 176.35 177.70 3i9v s VAL 311 N -1.66 0.09 -0.05 -1.59 0.11 -0.99 -2.21 120.40 114.10 3i9v s VAL 311 Ca 0.33 -0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 58.43 3i9v s VAL 311 Cb -0.11 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3i9v s VAL 311 CO 0.27 -0.39 0.76 -0.60 -3.33 0.00 0.00 175.10 171.81 3i9v s ARG 312 N -1.64 4.46 0.00 1.54 3.52 -0.98 -0.49 118.95 125.36 3i9v s ARG 312 Ca -0.12 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 3i9v s ARG 312 Cb -0.06 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3i9v s ARG 312 CO 0.01 0.04 0.00 1.17 -0.81 0.00 0.00 175.30 175.71 3i9v n LYS 313 N 3.81 0.00 -3.15 5.12 3.00 0.47 -4.94 118.16 122.46 3i9v n LYS 313 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3i9v n LYS 313 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.54 3i9v n LYS 313 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i9v n GLU 314 N -0.32 4.00 -0.87 1.64 -0.58 -1.26 -4.65 120.64 118.60 3i9v n GLU 314 Ca 0.00 -4.55 0.00 0.00 -0.42 0.00 0.00 57.16 52.19 3i9v n GLU 314 Cb 0.00 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.38 3i9v n GLU 314 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i9v n GLY 315 N 1.61 0.19 3.23 0.62 0.00 -1.26 -4.91 105.19 104.65 3i9v n GLY 315 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 3i9v n GLY 315 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i9v s ARG 316 N -1.20 1.10 0.11 1.61 1.70 -1.26 -5.03 118.95 115.99 3i9v s ARG 316 Ca 0.00 -1.46 -0.01 0.00 -0.47 0.00 0.00 55.73 53.79 3i9v s ARG 316 Cb 0.00 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 3i9v s ARG 316 CO 0.00 -0.36 0.29 -0.51 -1.08 0.00 0.00 175.30 173.64 3i9v s LEU 317 N -3.08 4.32 0.10 -1.89 2.01 -1.26 -0.40 118.68 118.48 3i9v s LEU 317 Ca 0.28 0.37 -0.05 0.00 0.01 0.00 0.00 54.13 54.74 3i9v s LEU 317 Cb 0.06 -3.08 -0.02 0.00 0.01 0.00 0.00 46.19 43.16 3i9v s LEU 317 CO 0.06 0.10 0.12 -0.69 1.01 0.00 0.00 176.35 176.94 3i9v s VAL 318 N -1.62 0.14 0.20 -1.59 1.01 0.35 -4.89 120.40 114.00 3i9v s VAL 318 Ca 0.37 -1.55 -0.33 0.00 0.00 0.00 0.00 61.98 60.47 3i9v s VAL 318 Cb -0.12 -1.63 -0.13 0.00 0.00 0.00 0.00 36.38 34.49 3i9v s VAL 318 CO 0.27 -0.65 1.59 -0.62 0.00 0.00 0.00 175.10 175.70 3i9v n GLU 319 N -0.05 2.35 -3.83 2.72 1.02 -1.26 -2.34 120.64 119.25 3i9v n GLU 319 Ca -0.11 0.85 -0.12 0.00 -0.02 0.00 0.00 57.16 57.75 3i9v n GLU 319 Cb 0.62 -2.62 -0.12 0.00 -0.02 0.00 0.00 31.44 29.30 3i9v n GLU 319 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9v s ALA 320 N 0.74 -0.35 1.05 0.62 0.00 -0.97 -4.91 121.76 117.93 3i9v s ALA 320 Ca 0.75 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 3i9v s ALA 320 Cb -0.61 -0.19 0.22 0.00 0.00 0.00 0.00 23.12 22.54 3i9v s ALA 320 CO 0.39 -0.09 1.07 0.99 0.00 0.00 0.00 175.76 178.12 3i9v s THR 321 N -0.15 2.16 -0.14 0.00 2.01 -1.26 -4.01 115.64 114.25 3i9v s THR 321 Ca -0.02 0.05 0.27 0.00 0.31 0.00 0.00 61.69 62.30 3i9v s THR 321 Cb -0.02 -2.29 0.28 0.00 0.01 0.00 0.00 72.50 70.49 3i9v s THR 321 CO 0.00 -0.07 1.82 -0.50 -0.69 0.00 0.00 174.62 175.19 3i9v h TRP 322 N -2.17 0.00 0.11 4.92 4.06 -1.97 -1.79 115.95 119.11 3i9v h TRP 322 Ca -0.56 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.39 3i9v h TRP 322 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.48 3i9v h TRP 322 CO 0.33 0.00 -0.05 0.93 -3.56 0.00 0.00 178.44 176.08 3i9v h GLU 323 N 0.00 -0.15 0.00 0.49 4.39 -1.99 -1.83 114.58 115.49 3i9v h GLU 323 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3i9v h GLU 323 Cb 0.20 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3i9v h GLU 323 CO 0.00 0.22 -0.04 0.93 -1.16 0.00 0.00 179.01 178.96 3i9v h GLU 324 N -0.97 0.00 0.00 2.33 5.08 -1.86 -2.23 114.58 116.93 3i9v h GLU 324 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3i9v h GLU 324 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3i9v h GLU 324 CO 0.03 0.04 -1.37 0.00 -1.00 0.00 0.00 179.01 176.70 3i9v n ALA 325 N -2.25 2.22 0.08 3.43 0.00 -0.69 -2.25 120.51 121.05 3i9v n ALA 325 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 3i9v n ALA 325 Cb 0.14 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.65 3i9v n ALA 325 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i9v h PHE 326 N 0.00 0.36 0.33 0.00 3.57 -0.72 -2.63 116.94 117.84 3i9v h PHE 326 Ca -0.10 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 3i9v h PHE 326 Cb 1.34 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.04 3i9v h PHE 326 CO 0.00 0.97 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.82 3i9v h LEU 327 N 0.15 -0.37 -1.54 0.59 3.38 -1.58 -2.36 115.31 113.58 3i9v h LEU 327 Ca -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i9v h LEU 327 Cb 1.42 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 3i9v h LEU 327 CO 0.13 0.09 0.49 0.00 0.09 0.00 0.00 178.44 179.24 3i9v h ALA 328 N -0.69 1.50 0.00 1.53 0.00 -1.54 0.89 119.26 120.95 3i9v h ALA 328 Ca -0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3i9v h ALA 328 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3i9v h ALA 328 CO 0.07 -0.49 -1.50 1.25 0.00 0.00 0.00 179.25 178.58 3i9v h LEU 329 N 0.00 0.00 -1.13 0.00 5.85 -1.43 -3.22 115.31 115.38 3i9v h LEU 329 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3i9v h LEU 329 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3i9v h LEU 329 CO -0.00 0.90 -0.43 0.11 -0.34 0.00 0.00 178.44 178.68 3i9v h LYS 330 N 0.00 0.00 0.35 1.25 1.57 0.13 -3.28 116.57 116.59 3i9v h LYS 330 Ca -0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3i9v h LYS 330 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3i9v h LYS 330 CO 0.08 0.43 -0.17 1.49 -0.57 0.00 0.00 179.45 180.71 3i9v h GLU 331 N 0.00 -0.45 0.00 3.15 4.57 -1.32 -1.81 114.58 118.72 3i9v h GLU 331 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i9v h GLU 331 Cb 0.78 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3i9v h GLU 331 CO 0.06 -0.30 0.09 0.41 -1.18 0.00 0.00 179.01 178.09 3i9v n GLY 332 N 0.06 -0.39 0.00 1.92 0.00 -1.22 -2.18 105.19 103.38 3i9v n GLY 332 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i9v n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9v n LEU 333 N -1.39 0.20 -0.01 0.99 4.77 -1.22 -4.59 117.00 115.75 3i9v n LEU 333 Ca 0.00 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.43 3i9v n LEU 333 Cb 0.09 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.61 3i9v n LEU 333 CO 0.00 0.05 1.17 0.50 -1.33 0.00 0.00 177.39 177.78 3i9v h LYS 334 N 0.00 0.54 -2.16 3.23 3.64 -0.82 -2.87 116.57 118.13 3i9v h LYS 334 Ca 0.00 -0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.68 3i9v h LYS 334 Cb 0.00 -0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 31.50 3i9v h LYS 334 CO 0.00 0.35 1.06 0.39 -2.27 0.00 0.00 179.45 178.98 3i9v n GLU 335 N -4.47 3.37 -3.78 1.90 -0.58 -1.26 -4.92 120.64 110.90 3i9v n GLU 335 Ca 0.04 -3.21 -0.13 0.00 -0.42 0.00 0.00 57.16 53.43 3i9v n GLU 335 Cb 0.08 -2.32 -0.14 0.00 -0.57 0.00 0.00 31.44 28.49 3i9v n GLU 335 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9v s ALA 336 N -2.62 -0.30 0.13 0.62 0.00 -1.08 -5.12 121.76 113.38 3i9v s ALA 336 Ca 0.53 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 3i9v s ALA 336 Cb 0.33 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3i9v s ALA 336 CO -0.24 -0.12 0.63 -0.98 0.00 0.00 0.00 175.76 175.05 3i9v s ARG 337 N 0.74 4.25 0.00 0.00 3.03 -1.26 -4.96 118.95 120.74 3i9v s ARG 337 Ca -0.06 0.80 0.04 0.00 2.03 0.00 0.00 55.73 58.55 3i9v s ARG 337 Cb -0.07 -3.14 0.26 0.00 -1.03 0.00 0.00 34.95 30.98 3i9v s ARG 337 CO -0.04 0.56 0.71 0.41 -1.13 0.00 0.00 175.30 175.82 3i9v n GLY 338 N 1.39 -0.15 0.30 3.88 0.00 -1.26 -1.23 105.19 108.12 3i9v n GLY 338 Ca -0.07 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3i9v n GLY 338 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i9v n GLU 339 N -0.96 1.87 -0.41 1.61 0.00 -1.25 -4.09 120.64 117.41 3i9v n GLU 339 Ca 0.03 -0.69 0.09 0.00 0.00 0.00 0.00 57.16 56.59 3i9v n GLU 339 Cb 0.02 -1.20 0.29 0.00 0.00 0.00 0.00 31.44 30.55 3i9v n GLU 339 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3i9v n GLU 340 N -0.23 2.82 -3.43 5.31 -0.58 -0.36 -4.58 120.64 119.59 3i9v n GLU 340 Ca 0.06 -2.35 -0.38 0.00 -0.42 0.00 0.00 57.16 54.07 3i9v n GLU 340 Cb 0.29 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.48 3i9v n GLU 340 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3i9v s VAL 341 N -1.41 5.13 -0.08 2.62 1.01 -1.25 -1.90 120.40 124.52 3i9v s VAL 341 Ca 0.43 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3i9v s VAL 341 Cb 0.25 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3i9v s VAL 341 CO 0.26 0.45 -0.06 -0.83 0.00 0.00 0.00 175.10 174.92 3i9v s GLY 342 N -0.15 1.71 -0.34 4.51 0.00 0.13 -4.59 107.32 108.59 3i9v s GLY 342 Ca 0.23 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3i9v s GLY 342 CO 0.11 -0.60 0.10 1.08 0.00 0.00 0.00 173.10 173.78 3i9v s LEU 343 N -0.70 3.12 -0.20 0.66 1.43 -1.18 -0.36 118.68 121.46 3i9v s LEU 343 Ca 0.11 -1.92 0.01 0.00 -1.03 0.00 0.00 54.13 51.30 3i9v s LEU 343 Cb -0.11 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.99 3i9v s LEU 343 CO 0.02 -0.39 -0.17 -0.31 0.23 0.00 0.00 176.35 175.73 3i9v s TYR 344 N 1.24 2.87 0.41 0.29 4.12 -0.19 -0.80 117.35 125.29 3i9v s TYR 344 Ca 0.11 -1.68 0.08 0.00 0.02 0.00 0.00 57.07 55.60 3i9v s TYR 344 Cb -0.19 -1.94 0.01 0.00 -1.52 0.00 0.00 41.96 38.32 3i9v s TYR 344 CO -0.17 -0.80 0.56 -0.51 0.02 0.00 0.00 175.55 174.65 3i9v s LEU 345 N 1.28 3.69 0.72 -1.29 1.43 -0.73 -0.13 118.68 123.65 3i9v s LEU 345 Ca 0.03 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 3i9v s LEU 345 Cb -0.14 -2.66 0.09 0.00 0.03 0.00 0.00 46.19 43.50 3i9v s LEU 345 CO -0.11 -0.73 1.02 0.00 0.23 0.00 0.00 176.35 176.76 3i9v s ALA 346 N -2.34 3.23 0.35 4.21 0.00 -1.26 -0.17 121.76 125.79 3i9v s ALA 346 Ca 0.54 -1.17 0.21 0.00 0.00 0.00 0.00 51.96 51.54 3i9v s ALA 346 Cb -0.10 -2.45 1.06 0.00 0.00 0.00 0.00 23.12 21.64 3i9v s ALA 346 CO 0.33 -1.42 1.93 1.12 0.00 0.00 0.00 175.76 177.72 3i9v h HIS 347 N -0.64 0.00 -0.68 0.00 2.07 -1.90 -2.99 115.15 111.00 3i9v h HIS 347 Ca -0.43 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 56.80 3i9v h HIS 347 Cb 1.29 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 31.10 3i9v h HIS 347 CO 0.04 0.24 0.29 -0.40 -3.07 0.00 0.00 177.93 175.02 3i9v n ASP 348 N -3.78 3.73 -4.76 3.10 5.68 -1.26 -1.37 116.55 117.88 3i9v n ASP 348 Ca -0.01 -3.49 -0.36 0.00 -0.50 0.00 0.00 54.79 50.42 3i9v n ASP 348 Cb 0.34 -0.73 0.02 0.00 -1.14 0.00 0.00 41.12 39.60 3i9v n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i9v s ALA 349 N -3.16 2.64 0.66 2.12 0.00 -1.13 -4.92 121.76 117.97 3i9v s ALA 349 Ca 0.52 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 3i9v s ALA 349 Cb 0.44 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3i9v s ALA 349 CO 0.08 -0.99 1.05 0.95 0.00 0.00 0.00 175.76 176.85 3i9v s THR 350 N -1.64 4.37 0.56 0.00 -4.23 -1.26 -4.77 115.64 108.67 3i9v s THR 350 Ca 0.75 0.77 0.41 0.00 -1.18 0.00 0.00 61.69 62.43 3i9v s THR 350 Cb -0.28 -3.65 0.42 0.00 1.34 0.00 0.00 72.50 70.33 3i9v s THR 350 CO 0.31 -1.00 2.29 0.25 -0.54 0.00 0.00 174.62 175.93 3i9v h LEU 351 N -0.51 0.00 0.14 4.79 5.85 -1.32 -1.82 115.31 122.44 3i9v h LEU 351 Ca -0.44 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 57.97 3i9v h LEU 351 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3i9v h LEU 351 CO 0.60 0.01 -1.57 -0.33 -0.34 0.00 0.00 178.44 176.80 3i9v h GLU 352 N 0.00 0.29 0.00 1.25 3.07 -1.92 -3.20 114.58 114.08 3i9v h GLU 352 Ca -0.00 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3i9v h GLU 352 Cb 0.10 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3i9v h GLU 352 CO 0.00 1.24 -0.02 0.93 -1.40 0.00 0.00 179.01 179.76 3i9v h GLU 353 N -0.16 0.00 0.00 2.33 5.08 -1.72 -2.09 114.58 118.03 3i9v h GLU 353 Ca -0.33 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 3i9v h GLU 353 Cb 1.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.11 3i9v h GLU 353 CO 0.09 0.02 -1.38 0.41 -1.00 0.00 0.00 179.01 177.15 3i9v n GLY 354 N -1.08 -1.22 0.16 -3.84 0.00 -0.83 -3.32 105.19 95.06 3i9v n GLY 354 Ca -0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3i9v n GLY 354 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9v h LEU 355 N 0.00 0.78 -0.32 0.99 5.85 -1.38 -2.27 115.31 118.95 3i9v h LEU 355 Ca -0.15 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.72 3i9v h LEU 355 Cb 1.52 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3i9v h LEU 355 CO 0.04 1.53 0.10 0.25 -0.34 0.00 0.00 178.44 180.02 3i9v h LEU 356 N 0.13 0.46 -1.72 2.25 5.85 -1.59 -1.78 115.31 118.91 3i9v h LEU 356 Ca -0.17 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3i9v h LEU 356 Cb 1.79 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 3i9v h LEU 356 CO 0.21 0.54 -0.15 0.00 -0.34 0.00 0.00 178.44 178.70 3i9v h ALA 357 N 0.94 1.74 -0.33 1.25 0.00 -1.62 0.63 119.26 121.87 3i9v h ALA 357 Ca 0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3i9v h ALA 357 Cb 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i9v h ALA 357 CO -0.00 0.18 -0.43 1.03 0.00 0.00 0.00 179.25 180.02 3i9v h SER 358 N 0.00 0.96 0.05 0.00 0.87 -1.07 -2.59 113.55 111.76 3i9v h SER 358 Ca -0.00 -0.49 -0.26 0.00 -1.23 0.00 0.00 61.79 59.80 3i9v h SER 358 Cb 0.26 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3i9v h SER 358 CO 0.02 1.26 -1.06 -0.33 -0.53 0.00 0.00 176.83 176.20 3i9v h GLU 359 N 0.68 0.64 -0.97 2.24 4.39 -0.32 -1.19 114.58 120.04 3i9v h GLU 359 Ca 0.04 -0.74 0.09 0.00 0.34 0.00 0.00 59.36 59.08 3i9v h GLU 359 Cb 1.03 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 3i9v h GLU 359 CO 0.10 1.32 0.62 1.25 -1.16 0.00 0.00 179.01 181.14 3i9v h LEU 360 N 0.27 0.95 0.00 1.33 5.85 0.11 -0.42 115.31 123.40 3i9v h LEU 360 Ca -0.14 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3i9v h LEU 360 Cb 1.73 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3i9v h LEU 360 CO 0.21 0.56 -0.33 0.00 -0.34 0.00 0.00 178.44 178.54 3i9v n ALA 361 N -2.36 2.79 -0.05 1.25 0.00 -0.98 -1.93 120.51 119.22 3i9v n ALA 361 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3i9v n ALA 361 Cb 0.25 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 3i9v n ALA 361 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i9v h LYS 362 N 0.00 0.00 0.22 0.00 3.64 -0.35 -2.84 116.57 117.24 3i9v h LYS 362 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3i9v h LYS 362 Cb 0.64 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3i9v h LYS 362 CO 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 179.45 176.76 3i9v h ALA 363 N -1.08 -0.81 -0.11 5.00 0.00 -1.25 -2.98 119.26 118.04 3i9v h ALA 363 Ca 0.00 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 3i9v h ALA 363 Cb 0.15 0.67 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i9v h ALA 363 CO 0.00 -1.01 2.29 -0.11 0.00 0.00 0.00 179.25 180.42 3i9v n LEU 364 N -5.48 4.53 -4.40 0.00 7.94 -0.82 -4.91 117.00 113.87 3i9v n LEU 364 Ca -0.08 -3.23 -0.39 0.00 -1.11 0.00 0.00 56.01 51.20 3i9v n LEU 364 Cb 0.39 -1.34 -0.15 0.00 0.53 0.00 0.00 43.42 42.85 3i9v n LEU 364 CO 0.22 -0.25 2.17 0.29 -1.11 0.00 0.00 177.39 178.71 3i9v n LYS 365 N 7.08 0.00 -4.19 1.96 5.02 -1.13 -4.56 118.16 122.34 3i9v n LYS 365 Ca 0.49 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.62 3i9v n LYS 365 Cb 0.41 -1.44 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 3i9v n LYS 365 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3i9v s THR 366 N 8.26 1.11 -0.11 -0.18 -1.32 -1.07 -3.79 115.64 118.54 3i9v s THR 366 Ca 1.33 -1.55 0.14 0.00 -1.21 0.00 0.00 61.69 60.40 3i9v s THR 366 Cb -1.21 -1.31 -0.24 0.00 -1.51 0.00 0.00 72.50 68.23 3i9v s THR 366 CO 0.48 -0.41 0.42 -0.81 -2.21 0.00 0.00 174.62 172.09 3i9v n PRO 367 N 0.78 0.66 -3.45 7.08 -0.04 -1.26 -4.84 135.00 133.93 3i9v n PRO 367 Ca -0.18 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 3i9v n PRO 367 Cb 0.56 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3i9v n PRO 367 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3i9v s HIS 368 N -2.55 3.42 -0.04 0.54 -3.43 -1.26 0.21 115.29 112.17 3i9v s HIS 368 Ca -0.07 -1.76 -0.00 0.00 -0.80 0.00 0.00 55.06 52.43 3i9v s HIS 368 Cb 0.07 -3.63 0.03 0.00 -1.43 0.00 0.00 32.58 27.62 3i9v s HIS 368 CO 0.82 -0.99 0.00 -0.48 -2.00 0.00 0.00 174.74 172.10 3i9v s LEU 369 N 1.15 0.90 0.29 5.38 2.34 -1.26 -3.10 118.68 124.38 3i9v s LEU 369 Ca 0.07 -0.04 -0.04 0.00 0.06 0.00 0.00 54.13 54.19 3i9v s LEU 369 Cb -0.25 -0.29 -0.01 0.00 -0.56 0.00 0.00 46.19 45.08 3i9v s LEU 369 CO -0.01 -0.14 0.38 -0.62 -1.06 0.00 0.00 176.35 174.91 3i9v s ASP 370 N 1.40 0.57 0.03 1.48 2.15 0.02 -1.45 116.67 120.87 3i9v s ASP 370 Ca -0.04 -1.35 0.04 0.00 0.43 0.00 0.00 52.55 51.63 3i9v s ASP 370 Cb -0.13 0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 43.04 3i9v s ASP 370 CO -0.03 -1.14 -0.13 0.72 -0.17 0.00 0.00 175.17 174.43 3i9v s PHE 371 N -3.57 1.15 0.42 -5.34 -0.71 -1.26 -1.78 117.98 106.89 3i9v s PHE 371 Ca 0.31 -0.32 0.35 0.00 -1.04 0.00 0.00 56.93 56.23 3i9v s PHE 371 Cb 0.01 -0.70 1.36 0.00 -1.21 0.00 0.00 43.02 42.49 3i9v s PHE 371 CO 0.16 0.02 1.33 0.94 -1.34 0.00 0.00 175.22 176.33 3i9v n GLN 372 N 2.12 -0.02 0.00 1.99 7.27 0.76 -1.13 117.38 128.38 3i9v n GLN 372 Ca -0.17 1.00 0.05 0.00 0.07 0.00 0.00 57.00 57.95 3i9v n GLN 372 Cb 0.55 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.09 3i9v n GLN 372 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i9v n GLY 373 N -1.59 -0.17 2.89 1.69 0.00 -1.26 -4.80 105.19 101.94 3i9v n GLY 373 Ca 0.36 -0.29 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 3i9v n GLY 373 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9v n ARG 374 N -0.21 0.00 -3.89 1.61 0.63 -0.28 -4.27 116.66 110.26 3i9v n ARG 374 Ca 0.04 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.62 3i9v n ARG 374 Cb 0.21 -1.14 -0.06 0.00 0.45 0.00 0.00 32.46 31.93 3i9v n ARG 374 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3i9v s THR 375 N -0.22 5.48 0.21 5.15 -4.23 -1.26 -5.01 115.64 115.76 3i9v s THR 375 Ca 0.70 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 61.10 3i9v s THR 375 Cb -0.98 -3.46 0.19 0.00 1.34 0.00 0.00 72.50 69.59 3i9v s THR 375 CO 0.47 0.50 1.59 0.00 -0.54 0.00 0.00 174.62 176.64 3i9v h ALA 376 N 4.52 0.15 -2.67 3.99 0.00 -1.76 -3.31 119.26 120.17 3i9v h ALA 376 Ca -0.53 0.22 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 3i9v h ALA 376 Cb 1.21 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 19.58 3i9v h ALA 376 CO 0.62 -0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.02 3i9v s ALA 377 N -6.07 3.53 0.16 0.00 0.00 -0.68 -3.56 121.76 115.14 3i9v s ALA 377 Ca -0.14 -1.00 -0.33 0.00 0.00 0.00 0.00 51.96 50.48 3i9v s ALA 377 Cb 0.18 -2.75 -0.13 0.00 0.00 0.00 0.00 23.12 20.42 3i9v s ALA 377 CO 0.71 -0.84 1.62 -2.30 0.00 0.00 0.00 175.76 174.95 3i9v n PRO 378 N 5.35 2.28 0.30 0.00 -0.02 -1.25 -4.74 135.00 136.93 3i9v n PRO 378 Ca -0.09 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.40 3i9v n PRO 378 Cb 0.50 -2.61 0.93 0.00 -0.02 0.00 0.00 33.50 32.30 3i9v n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9v h ALA 379 N 6.28 1.07 0.00 3.55 0.00 -1.93 -1.17 119.26 127.06 3i9v h ALA 379 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i9v h ALA 379 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i9v h ALA 379 CO 0.90 0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.62 3i9v n SER 380 N -3.22 0.00 -0.19 0.00 7.64 -1.26 -3.02 113.62 113.57 3i9v n SER 380 Ca -0.02 0.49 -0.01 0.00 1.01 0.00 0.00 58.87 60.34 3i9v n SER 380 Cb 0.19 -0.49 0.09 0.00 -1.01 0.00 0.00 64.21 62.98 3i9v n SER 380 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i9v h LEU 381 N 0.00 0.22-10.07 -3.43 -0.00 -1.30 -2.93 115.31 97.79 3i9v h LEU 381 Ca 0.00 0.07 -0.53 0.00 -0.00 0.00 0.00 57.88 57.42 3i9v h LEU 381 Cb 0.27 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 3i9v h LEU 381 CO 0.00 0.14 -0.29 -0.36 -0.00 0.00 0.00 178.44 177.93 3i9v s PHE 382 N -6.11 3.48 -0.26 1.13 0.40 -1.17 -4.57 117.98 110.89 3i9v s PHE 382 Ca -0.13 0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 56.32 3i9v s PHE 382 Cb 0.16 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 3i9v s PHE 382 CO 0.74 0.33 1.40 -1.25 0.70 0.00 0.00 175.22 177.14 3i9v s PRO 383 N -3.37 3.91 0.38 0.24 0.04 -1.26 -4.92 135.00 130.02 3i9v s PRO 383 Ca 0.40 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 3i9v s PRO 383 Cb -0.11 -3.92 -0.11 0.00 0.04 0.00 0.00 34.50 30.40 3i9v s PRO 383 CO 0.29 -1.13 1.41 -2.30 0.04 0.00 0.00 177.00 175.31 3i9v n PRO 384 N 7.35 2.43 -4.69 0.56 -0.02 -1.26 -1.21 135.00 138.16 3i9v n PRO 384 Ca 0.16 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3i9v n PRO 384 Cb 0.46 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 3i9v n PRO 384 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9v s ALA 385 N -1.12 2.85 0.27 3.55 0.00 -0.93 -4.69 121.76 121.69 3i9v s ALA 385 Ca 0.55 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 3i9v s ALA 385 Cb -0.50 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 3i9v s ALA 385 CO 0.63 0.48 0.88 0.45 0.00 0.00 0.00 175.76 178.19 3i9v s SER 386 N -0.48 7.34 0.41 0.00 0.15 -1.26 -4.53 113.70 115.34 3i9v s SER 386 Ca 0.07 1.75 0.19 0.00 0.70 0.00 0.00 55.95 58.66 3i9v s SER 386 Cb -0.12 -2.54 1.12 0.00 -1.71 0.00 0.00 66.02 62.77 3i9v s SER 386 CO 0.02 0.02 1.80 -0.07 1.20 0.00 0.00 173.24 176.21 3i9v h LEU 387 N 3.51 0.41 -0.25 3.45 4.07 -1.94 0.62 115.31 125.19 3i9v h LEU 387 Ca -0.47 0.07 0.06 0.00 0.08 0.00 0.00 57.88 57.62 3i9v h LEU 387 Cb 1.19 -0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.86 3i9v h LEU 387 CO 0.66 0.10 -0.28 -0.08 -1.08 0.00 0.00 178.44 177.76 3i9v h GLU 388 N 0.38 -0.28 -0.97 1.13 4.57 -1.92 -1.67 114.58 115.82 3i9v h GLU 388 Ca 0.56 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.93 3i9v h GLU 388 Cb 1.46 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 30.02 3i9v h GLU 388 CO -0.24 -0.18 0.61 -0.44 -1.18 0.00 0.00 179.01 177.57 3i9v h ASP 389 N -0.29 0.71 -0.61 1.04 3.32 -0.13 -2.05 116.42 118.42 3i9v h ASP 389 Ca 0.13 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3i9v h ASP 389 Cb 0.50 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3i9v h ASP 389 CO -0.41 0.29 0.37 0.25 -1.72 0.00 0.00 179.24 178.03 3i9v h LEU 390 N 0.71 0.73 -1.13 1.55 5.85 -0.76 0.40 115.31 122.67 3i9v h LEU 390 Ca 0.53 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 59.13 3i9v h LEU 390 Cb 0.88 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3i9v h LEU 390 CO -0.29 0.57 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.23 3i9v h LEU 391 N 0.83 0.49 0.00 2.25 3.38 -1.20 -3.05 115.31 118.01 3i9v h LEU 391 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i9v h LEU 391 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3i9v h LEU 391 CO -0.04 0.62 -0.33 0.00 0.09 0.00 0.00 178.44 178.78 3i9v n GLN 392 N -4.23 0.23 -0.94 1.13 6.02 -0.74 -4.86 117.38 113.98 3i9v n GLN 392 Ca 0.01 0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 3i9v n GLN 392 Cb 0.30 -1.69 0.21 0.00 1.02 0.00 0.00 30.24 30.07 3i9v n GLN 392 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9v s ALA 393 N -3.11 0.33 -0.21 -1.58 0.00 0.13 -5.02 121.76 112.30 3i9v s ALA 393 Ca 0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 3i9v s ALA 393 Cb 0.14 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 3i9v s ALA 393 CO 0.66 -3.28 -0.29 -0.25 0.00 0.00 0.00 175.76 172.60 3i9v n ASP 394 N -4.50 1.59 -4.35 0.00 8.00 -0.83 -5.01 116.55 111.45 3i9v n ASP 394 Ca 0.04 0.27 -0.28 0.00 0.71 0.00 0.00 54.79 55.53 3i9v n ASP 394 Cb 0.56 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.87 3i9v n ASP 394 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i9v s PHE 395 N -2.44 2.20 -0.33 1.24 5.36 -1.26 -4.86 117.98 117.89 3i9v s PHE 395 Ca -0.30 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.31 3i9v s PHE 395 Cb 0.11 -1.23 0.10 0.00 -0.34 0.00 0.00 43.02 41.66 3i9v s PHE 395 CO 0.39 0.26 0.04 0.00 -1.46 0.00 0.00 175.22 174.44 3i9v s ALA 396 N -1.00 2.73 -0.36 11.12 0.00 -0.55 -1.81 121.76 131.88 3i9v s ALA 396 Ca 0.12 -2.37 -0.17 0.00 0.00 0.00 0.00 51.96 49.54 3i9v s ALA 396 Cb -0.10 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 3i9v s ALA 396 CO 0.05 -1.63 0.47 -1.17 0.00 0.00 0.00 175.76 173.47 3i9v s LEU 397 N 0.99 4.46 -0.09 0.00 2.96 -1.02 -0.75 118.68 125.23 3i9v s LEU 397 Ca 0.09 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3i9v s LEU 397 Cb -0.19 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.01 3i9v s LEU 397 CO -0.09 -0.48 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.61 3i9v s VAL 398 N 2.28 1.46 -0.26 1.68 1.01 0.69 -1.31 120.40 125.95 3i9v s VAL 398 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3i9v s VAL 398 Cb -0.16 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.98 3i9v s VAL 398 CO 0.13 0.43 0.01 -0.76 0.00 0.00 0.00 175.10 174.91 3i9v s LEU 399 N 0.70 2.62 0.00 3.92 1.02 -0.50 -0.24 118.68 126.21 3i9v s LEU 399 Ca -0.13 -1.38 0.00 0.00 0.02 0.00 0.00 54.13 52.65 3i9v s LEU 399 Cb -0.16 -1.10 0.00 0.00 0.02 0.00 0.00 46.19 44.95 3i9v s LEU 399 CO 0.03 -0.31 0.00 0.61 0.02 0.00 0.00 176.35 176.71 3i9v n GLY 400 N 4.70 2.44 3.16 -3.19 0.00 0.36 -2.92 105.19 109.74 3i9v n GLY 400 Ca -0.07 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 3i9v n GLY 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i9v s ASP 401 N 0.00 5.51 0.35 1.61 2.15 -1.26 -4.68 116.67 120.34 3i9v s ASP 401 Ca 0.00 -2.32 0.15 0.00 0.43 0.00 0.00 52.55 50.81 3i9v s ASP 401 Cb 0.00 -1.92 1.12 0.00 -0.30 0.00 0.00 42.92 41.81 3i9v s ASP 401 CO 0.00 -0.53 1.66 -0.65 -0.17 0.00 0.00 175.17 175.47 3i9v h PRO 402 N 7.81 0.28 -0.89 4.34 0.11 -1.95 0.37 132.00 142.07 3i9v h PRO 402 Ca -0.10 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.22 3i9v h PRO 402 Cb 1.02 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 3i9v h PRO 402 CO 0.76 0.19 0.37 1.15 -0.21 0.00 0.00 178.00 180.26 3i9v h THR 403 N 0.29 0.45 0.00 -1.15 2.02 -1.82 -1.83 112.91 110.88 3i9v h THR 403 Ca 0.75 -0.13 -0.36 0.00 0.77 0.00 0.00 66.41 67.44 3i9v h THR 403 Cb 1.74 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 3i9v h THR 403 CO -0.62 0.07 -2.35 -0.62 0.37 0.00 0.00 175.52 172.37 3i9v n GLU 404 N -5.07 0.70 0.00 6.66 -0.58 -0.00 -3.70 120.64 118.65 3i9v n GLU 404 Ca 0.22 0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 57.04 3i9v n GLU 404 Cb 0.66 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.04 3i9v n GLU 404 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3i9v h GLU 405 N 0.00 -0.10 -2.59 3.49 5.08 -1.24 -3.15 114.58 116.07 3i9v h GLU 405 Ca -0.53 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.23 3i9v h GLU 405 Cb 1.94 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 30.80 3i9v h GLU 405 CO -0.05 -0.07 -0.73 0.00 -1.00 0.00 0.00 179.01 177.17 3i9v n ALA 406 N -2.66 3.34 -0.27 3.43 0.00 -0.76 -4.71 120.51 118.88 3i9v n ALA 406 Ca -0.01 -4.15 0.08 0.00 0.00 0.00 0.00 53.44 49.36 3i9v n ALA 406 Cb 0.04 -0.91 0.21 0.00 0.00 0.00 0.00 19.45 18.79 3i9v n ALA 406 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i9v h PRO 407 N 4.99 0.15 -0.02 0.00 0.11 -1.44 0.12 132.00 135.91 3i9v h PRO 407 Ca 0.18 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3i9v h PRO 407 Cb 0.78 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3i9v h PRO 407 CO 0.64 0.10 0.02 0.82 -0.21 0.00 0.00 178.00 179.37 3i9v h ILE 408 N 0.15 0.74 -0.27 4.15 5.03 -1.87 0.14 117.51 125.58 3i9v h ILE 408 Ca 0.47 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.29 3i9v h ILE 408 Cb 0.88 0.99 -0.01 0.00 -3.03 0.00 0.00 36.82 35.65 3i9v h ILE 408 CO -0.66 0.00 0.24 -0.07 -0.68 0.00 0.00 178.15 176.98 3i9v h LEU 409 N 0.00 0.00 -0.86 1.44 3.38 -1.03 0.40 115.31 118.64 3i9v h LEU 409 Ca 0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3i9v h LEU 409 Cb 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3i9v h LEU 409 CO -0.00 0.00 0.50 -0.74 0.09 0.00 0.00 178.44 178.29 3i9v h HIS 410 N 0.00 0.91 0.00 1.13 2.76 -0.84 -1.63 115.15 117.48 3i9v h HIS 410 Ca 0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3i9v h HIS 410 Cb 0.61 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.29 3i9v h HIS 410 CO 0.00 0.36 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.58 3i9v h LEU 411 N 0.83 0.00 0.00 0.26 3.38 -0.33 -2.16 115.31 117.29 3i9v h LEU 411 Ca 0.42 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.26 3i9v h LEU 411 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i9v h LEU 411 CO -0.26 0.00 -1.04 0.03 0.09 0.00 0.00 178.44 177.26 3i9v h ARG 412 N 0.00 0.00 0.00 1.13 2.47 -1.22 -3.22 114.38 113.54 3i9v h ARG 412 Ca 0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 3i9v h ARG 412 Cb 0.99 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 3i9v h ARG 412 CO 0.00 0.34 -0.66 -0.07 0.56 0.00 0.00 179.97 180.14 3i9v h LEU 413 N 0.00 0.00 -1.29 3.04 3.38 -1.18 -0.72 115.31 118.54 3i9v h LEU 413 Ca -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3i9v h LEU 413 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3i9v h LEU 413 CO 0.05 0.66 -0.17 -1.28 0.09 0.00 0.00 178.44 177.79 3i9v h SER 414 N 0.00 0.26 0.40 -0.43 0.87 -1.44 0.82 113.55 114.03 3i9v h SER 414 Ca -0.01 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.18 3i9v h SER 414 Cb 1.39 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3i9v h SER 414 CO 0.09 0.45 -1.46 -0.33 -0.53 0.00 0.00 176.83 175.05 3i9v h GLU 415 N 0.25 0.38 -0.38 2.24 5.08 -1.54 -3.21 114.58 117.41 3i9v h GLU 415 Ca 0.05 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.65 3i9v h GLU 415 Cb 0.46 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3i9v h GLU 415 CO 0.03 1.29 -0.16 0.35 -1.00 0.00 0.00 179.01 179.52 3i9v h PHE 416 N 0.10 0.89 -0.73 4.33 3.57 -0.93 -1.95 116.94 122.22 3i9v h PHE 416 Ca -0.23 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.11 3i9v h PHE 416 Cb 2.07 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.56 3i9v h PHE 416 CO 0.09 0.95 0.48 0.28 -2.23 0.00 0.00 178.31 177.89 3i9v h VAL 417 N 0.58 1.06 -0.00 1.41 2.07 -0.96 -2.22 116.25 118.18 3i9v h VAL 417 Ca 0.09 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3i9v h VAL 417 Cb 0.71 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3i9v h VAL 417 CO 0.05 0.15 -0.02 0.54 0.02 0.00 0.00 177.57 178.31 3i9v n ARG 418 N -4.47 0.93 -0.93 1.57 1.74 -1.10 -2.63 116.66 111.77 3i9v n ARG 418 Ca 0.10 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i9v n ARG 418 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3i9v n ARG 418 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i9v n ASP 419 N -0.89 -1.70 -4.67 0.55 9.92 -0.83 -5.00 116.55 113.93 3i9v n ASP 419 Ca 0.20 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.04 3i9v n ASP 419 Cb 0.19 -0.92 0.01 0.00 -0.64 0.00 0.00 41.12 39.76 3i9v n ASP 419 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3i9v n LEU 420 N 0.00 3.36 -4.15 0.64 4.77 -0.75 -5.01 117.00 115.86 3i9v n LEU 420 Ca 0.00 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.95 3i9v n LEU 420 Cb 0.06 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 39.60 3i9v n LEU 420 CO 0.00 -0.92 -0.42 -0.54 -1.33 0.00 0.00 177.39 174.19 3i9v s LYS 421 N -2.04 0.78 -0.46 3.23 1.02 -1.26 -4.61 119.74 116.40 3i9v s LYS 421 Ca 0.60 -1.07 -0.44 0.00 0.02 0.00 0.00 55.97 55.08 3i9v s LYS 421 Cb -0.55 -0.49 -0.19 0.00 -0.52 0.00 0.00 37.83 36.09 3i9v s LYS 421 CO 0.59 0.08 1.81 -2.30 -0.92 0.00 0.00 175.35 174.60 3i9v n PRO 422 N 0.77 0.23 -0.81 -1.68 -0.02 -1.26 -4.91 135.00 127.32 3i9v n PRO 422 Ca -0.18 0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 3i9v n PRO 422 Cb 0.57 -1.64 0.20 0.00 -0.02 0.00 0.00 33.50 32.61 3i9v n PRO 422 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i9v s PRO 423 N 4.13 0.05 0.56 0.52 0.04 -1.26 -5.01 135.00 134.03 3i9v s PRO 423 Ca 1.09 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3i9v s PRO 423 Cb -1.40 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 3i9v s PRO 423 CO 0.73 -3.09 1.02 -1.01 0.04 0.00 0.00 177.00 174.69 3i9v s HIS 424 N -2.67 3.29 -0.29 0.56 3.76 -1.26 -5.04 115.29 113.64 3i9v s HIS 424 Ca 0.67 1.47 -0.07 0.00 -0.15 0.00 0.00 55.06 56.97 3i9v s HIS 424 Cb -0.22 -2.86 -0.00 0.00 1.11 0.00 0.00 32.58 30.60 3i9v s HIS 424 CO 0.61 -0.69 0.09 1.03 -0.85 0.00 0.00 174.74 174.92 3i9v s ARG 425 N -4.21 3.26 0.30 1.40 0.52 -1.26 -4.53 118.95 114.43 3i9v s ARG 425 Ca 0.60 -0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3i9v s ARG 425 Cb -0.12 -3.39 0.07 0.00 0.52 0.00 0.00 34.95 32.02 3i9v s ARG 425 CO 0.36 -0.38 0.41 0.66 0.02 0.00 0.00 175.30 176.37 3i9v n TYR 426 N 4.90 -3.62 0.03 -0.53 4.02 -1.01 -4.90 117.16 116.05 3i9v n TYR 426 Ca -0.15 -0.52 -0.02 0.00 -0.01 0.00 0.00 57.90 57.21 3i9v n TYR 426 Cb 0.49 -0.31 0.24 0.00 -0.02 0.00 0.00 39.34 39.74 3i9v n TYR 426 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3i9v h ASN 427 N -0.42 0.44 -0.47 7.72 4.21 -1.93 -2.51 115.58 122.63 3i9v h ASN 427 Ca -0.13 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.24 3i9v h ASN 427 Cb 0.42 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3i9v h ASN 427 CO 0.12 0.65 0.00 0.00 -1.29 0.00 0.00 177.43 176.91 3i9v n HIS 428 N -4.16 1.21 -3.06 1.19 1.44 -1.26 -5.05 115.22 105.52 3i9v n HIS 428 Ca -0.00 -0.46 0.00 0.00 -2.01 0.00 0.00 57.72 55.25 3i9v n HIS 428 Cb 0.36 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.23 3i9v n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i9v n GLY 429 N 0.82 0.45 3.65 -1.39 0.00 -0.95 -4.87 105.19 102.90 3i9v n GLY 429 Ca 0.19 -1.02 -0.46 0.00 0.00 0.00 0.00 46.02 44.73 3i9v n GLY 429 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9v n THR 430 N 0.00 0.47 -1.59 2.61 -1.04 -1.26 -2.41 114.28 111.05 3i9v n THR 430 Ca 0.00 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.05 61.50 3i9v n THR 430 Cb 0.00 -1.36 0.04 0.00 -1.82 0.00 0.00 70.33 67.18 3i9v n THR 430 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i9v n PRO 431 N 2.59 1.01 -0.01 -2.82 -0.04 -1.26 -4.95 135.00 129.52 3i9v n PRO 431 Ca 0.15 0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3i9v n PRO 431 Cb 0.28 -2.07 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 3i9v n PRO 431 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3i9v h PHE 432 N 0.81 0.08 -2.59 0.54 -1.00 -1.91 -3.40 116.94 109.47 3i9v h PHE 432 Ca -0.47 -0.06 -0.60 0.00 2.81 0.00 0.00 57.97 59.66 3i9v h PHE 432 Cb 1.36 -0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.53 3i9v h PHE 432 CO 0.38 1.11 -0.86 0.00 -1.61 0.00 0.00 178.31 177.33 3i9v s ALA 433 N -2.60 1.83 -0.50 2.45 0.00 -1.26 -3.88 121.76 117.80 3i9v s ALA 433 Ca -0.06 -2.62 -0.29 0.00 0.00 0.00 0.00 51.96 48.99 3i9v s ALA 433 Cb 0.08 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3i9v s ALA 433 CO 0.82 -2.02 1.28 0.34 0.00 0.00 0.00 175.76 176.17 3i9v s ASP 434 N -0.02 6.42 0.53 0.00 -1.08 -1.26 -4.10 116.67 117.15 3i9v s ASP 434 Ca 0.28 0.45 0.36 0.00 -0.52 0.00 0.00 52.55 53.11 3i9v s ASP 434 Cb -0.05 -2.55 1.87 0.00 -1.46 0.00 0.00 42.92 40.73 3i9v s ASP 434 CO -0.14 -1.44 2.08 -0.07 0.52 0.00 0.00 175.17 176.13 3i9v h LEU 435 N 11.99 0.00 -1.21 -1.34 -0.00 -1.90 -2.44 115.31 120.41 3i9v h LEU 435 Ca -0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 3i9v h LEU 435 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 3i9v h LEU 435 CO 1.14 0.00 -0.33 -0.61 -0.00 0.00 0.00 178.44 178.64 3i9v h GLN 436 N 0.00 0.10 -6.00 1.13 4.15 -1.89 -3.40 115.11 109.20 3i9v h GLN 436 Ca 0.00 -0.04 -0.61 0.00 0.77 0.00 0.00 58.65 58.77 3i9v h GLN 436 Cb 0.07 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.64 3i9v h GLN 436 CO 0.00 0.43 0.52 0.42 -1.93 0.00 0.00 178.83 178.27 3i9v s ILE 437 N -4.29 4.50 0.13 2.39 1.01 -0.92 -5.02 121.20 119.00 3i9v s ILE 437 Ca -0.04 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 3i9v s ILE 437 Cb 0.14 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3i9v s ILE 437 CO 0.74 -0.87 0.40 -0.54 0.00 0.00 0.00 174.94 174.67 3i9v s LYS 438 N 3.69 3.69 0.14 2.79 -0.14 -1.26 -3.85 119.74 124.79 3i9v s LYS 438 Ca 0.34 0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.70 3i9v s LYS 438 Cb -0.11 -2.88 -0.07 0.00 -1.68 0.00 0.00 37.83 33.09 3i9v s LYS 438 CO 0.24 0.48 1.06 -2.00 -0.76 0.00 0.00 175.35 174.38 3i9v s GLU 439 N -2.40 4.61 -0.81 1.68 2.12 -1.26 -3.55 118.70 119.09 3i9v s GLU 439 Ca 0.39 1.63 -0.01 0.00 0.36 0.00 0.00 54.97 57.33 3i9v s GLU 439 Cb -0.13 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3i9v s GLU 439 CO 0.22 0.08 0.14 -2.13 -0.54 0.00 0.00 175.26 173.03 3i9v n ARG 440 N 2.72 -1.55 -1.61 4.30 3.00 -1.26 -4.98 116.66 117.29 3i9v n ARG 440 Ca 0.03 0.47 -0.40 0.00 -0.00 0.00 0.00 57.85 57.95 3i9v n ARG 440 Cb 0.47 -4.45 0.02 0.00 0.00 0.00 0.00 32.46 28.51 3i9v n ARG 440 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3i9v n MET 441 N -2.14 1.20 -2.20 -0.14 2.81 -1.23 -4.97 117.12 110.44 3i9v n MET 441 Ca -0.09 0.44 -0.37 0.00 -1.81 0.00 0.00 57.70 55.87 3i9v n MET 441 Cb 0.58 -2.07 -0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3i9v n MET 441 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3i9v s PRO 442 N -2.23 3.66 -0.14 0.03 0.04 -1.26 -5.04 135.00 130.07 3i9v s PRO 442 Ca 0.67 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.50 3i9v s PRO 442 Cb -0.51 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 3i9v s PRO 442 CO 0.54 -0.64 -0.06 1.03 0.04 0.00 0.00 177.00 177.90 3i9v s ARG 443 N -2.75 3.47 -0.34 4.56 0.52 -1.26 -4.66 118.95 118.49 3i9v s ARG 443 Ca 0.65 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 55.07 3i9v s ARG 443 Cb -0.30 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.37 3i9v s ARG 443 CO 0.36 0.30 0.76 1.03 0.02 0.00 0.00 175.30 177.77 3i9v s ARG 444 N 0.18 3.82 0.00 3.54 0.52 -1.08 -4.93 118.95 121.01 3i9v s ARG 444 Ca -0.03 0.38 0.28 0.00 -0.52 0.00 0.00 55.73 55.83 3i9v s ARG 444 Cb -0.14 -3.78 1.03 0.00 0.52 0.00 0.00 34.95 32.58 3i9v s ARG 444 CO 0.03 -0.76 1.73 0.25 0.02 0.00 0.00 175.30 176.57 3i9v n THR 445 N 5.66 0.00 1.11 0.02 -2.24 -1.26 -3.72 114.28 113.85 3i9v n THR 445 Ca 0.03 -0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3i9v n THR 445 Cb 0.48 0.48 0.17 0.00 -2.10 0.00 0.00 70.33 69.36 3i9v n THR 445 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i9v n ASP 446 N 0.08 1.48 0.08 3.42 5.75 -1.26 -1.35 116.55 124.74 3i9v n ASP 446 Ca 0.18 -1.17 0.12 0.00 -0.01 0.00 0.00 54.79 53.92 3i9v n ASP 446 Cb 0.35 0.35 0.12 0.00 -1.03 0.00 0.00 41.12 40.91 3i9v n ASP 446 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3i9v h LYS 447 N 1.67 0.00 -4.09 0.11 3.64 -1.88 -3.49 116.57 112.54 3i9v h LYS 447 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3i9v h LYS 447 Cb 0.62 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.31 3i9v h LYS 447 CO 0.00 0.00 -0.47 1.41 -2.27 0.00 0.00 179.45 178.12 3i9v s MET 448 N -3.22 0.99 -0.02 1.90 0.00 -1.26 -1.48 119.30 116.21 3i9v s MET 448 Ca 0.04 -1.24 -0.00 0.00 0.00 0.00 0.00 55.69 54.50 3i9v s MET 448 Cb 0.12 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.29 3i9v s MET 448 CO 0.74 -0.32 0.03 0.00 0.00 0.00 0.00 175.02 175.47 3i9v s ALA 449 N -3.98 0.05 -0.05 4.11 0.00 0.07 -3.96 121.76 118.01 3i9v s ALA 449 Ca 0.17 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.44 3i9v s ALA 449 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3i9v s ALA 449 CO -0.02 -0.09 -0.22 -1.17 0.00 0.00 0.00 175.76 174.26 3i9v s LEU 450 N 0.83 2.25 -0.09 0.00 1.98 -0.90 -0.22 118.68 122.53 3i9v s LEU 450 Ca -0.07 -0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 50.74 3i9v s LEU 450 Cb -0.10 -1.42 0.03 0.00 0.66 0.00 0.00 46.19 45.37 3i9v s LEU 450 CO -0.02 0.29 0.01 -0.36 -1.89 0.00 0.00 176.35 174.38 3i9v s PHE 451 N -0.43 0.66 -0.06 5.38 0.08 0.67 -2.88 117.98 121.39 3i9v s PHE 451 Ca 0.04 -0.22 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 3i9v s PHE 451 Cb -0.12 -0.80 0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3i9v s PHE 451 CO 0.01 -0.36 0.45 0.00 -0.10 0.00 0.00 175.22 175.23 3i9v s ALA 452 N 1.98 -1.16 -1.67 5.36 0.00 -1.25 -0.49 121.76 124.54 3i9v s ALA 452 Ca 0.04 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3i9v s ALA 452 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3i9v s ALA 452 CO -0.06 -0.29 0.32 -0.35 0.00 0.00 0.00 175.76 175.39 3i9v n PRO 453 N 1.49 0.00 -3.82 0.00 -0.04 -1.26 -2.43 135.00 128.94 3i9v n PRO 453 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 3i9v n PRO 453 Cb 0.56 -1.38 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3i9v n PRO 453 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3i9v s TYR 454 N -1.79 0.07 -1.11 0.54 -0.85 -1.26 -4.61 117.35 108.33 3i9v s TYR 454 Ca 0.00 -0.66 -0.24 0.00 -0.52 0.00 0.00 57.07 55.65 3i9v s TYR 454 Cb 0.00 0.80 -0.11 0.00 0.38 0.00 0.00 41.96 43.03 3i9v s TYR 454 CO 0.00 -1.39 1.98 0.50 -1.52 0.00 0.00 175.55 175.12 3i9v s ARG 455 N -2.50 2.24 0.37 -3.49 3.52 -1.26 -4.82 118.95 113.01 3i9v s ARG 455 Ca 0.16 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.64 3i9v s ARG 455 Cb -0.05 -5.15 -0.09 0.00 -1.56 0.00 0.00 34.95 28.10 3i9v s ARG 455 CO 0.09 -4.17 1.25 0.00 -0.81 0.00 0.00 175.30 171.67 3i9v s ALA 456 N 12.05 3.33 0.00 6.12 0.00 -1.26 -4.96 121.76 137.05 3i9v s ALA 456 Ca 0.72 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3i9v s ALA 456 Cb -0.03 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3i9v s ALA 456 CO 0.12 -0.63 0.68 -2.30 0.00 0.00 0.00 175.76 173.62 3i9v n PRO 457 N 0.44 0.00 0.00 0.00 -0.02 -1.26 -1.18 135.00 132.99 3i9v n PRO 457 Ca 0.02 0.68 0.05 0.00 -2.02 0.00 0.00 63.50 62.23 3i9v n PRO 457 Cb 0.44 -1.05 0.31 0.00 -0.02 0.00 0.00 33.50 33.18 3i9v n PRO 457 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i9v n LEU 458 N -2.40 0.00 0.26 2.45 4.32 -1.26 -2.23 117.00 118.13 3i9v n LEU 458 Ca 0.00 0.08 0.17 0.00 -0.02 0.00 0.00 56.01 56.24 3i9v n LEU 458 Cb 0.00 -0.08 0.90 0.00 -1.62 0.00 0.00 43.42 42.62 3i9v n LEU 458 CO 0.00 -0.05 1.02 -0.03 -1.22 0.00 0.00 177.39 177.11 3i9v h MET 459 N 0.00 0.00 0.26 3.23 4.05 -1.50 -1.83 114.93 119.15 3i9v h MET 459 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3i9v h MET 459 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3i9v h MET 459 CO 0.00 0.00 -0.13 -0.22 0.23 0.00 0.00 176.91 176.79 3i9v h LYS 460 N 0.00 -0.34 -0.95 0.39 1.63 -1.62 -2.90 116.57 112.78 3i9v h LYS 460 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3i9v h LYS 460 Cb 0.07 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3i9v h LYS 460 CO 0.00 -0.10 0.00 0.91 -3.45 0.00 0.00 179.45 176.81 3i9v n TRP 461 N -5.16 0.00 -3.91 1.91 8.01 -0.69 -4.64 117.44 112.96 3i9v n TRP 461 Ca -0.10 -0.03 -0.28 0.00 -1.31 0.00 0.00 57.50 55.79 3i9v n TRP 461 Cb 0.22 -0.10 -0.17 0.00 -2.01 0.00 0.00 31.31 29.25 3i9v n TRP 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3i9v s ALA 462 N -0.93 1.46 0.01 6.99 0.00 -1.10 -4.41 121.76 123.79 3i9v s ALA 462 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3i9v s ALA 462 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 3i9v s ALA 462 CO 0.00 -0.58 1.00 0.00 0.00 0.00 0.00 175.76 176.17 3i9v h ALA 463 N 8.14 -0.94 -0.63 0.00 0.00 -1.34 -3.38 119.26 121.11 3i9v h ALA 463 Ca -0.28 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 3i9v h ALA 463 Cb 1.12 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3i9v h ALA 463 CO 0.42 -0.91 0.52 0.42 0.00 0.00 0.00 179.25 179.69 3i9v s ILE 464 N -3.53 3.28 -0.02 0.00 -1.09 -1.26 -4.91 121.20 113.67 3i9v s ILE 464 Ca -0.06 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 3i9v s ILE 464 Cb 0.01 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3i9v s ILE 464 CO 0.17 -0.59 -0.07 -1.38 -1.23 0.00 0.00 174.94 171.83 3i9v s HIS 465 N 11.81 0.77 -0.12 3.97 -3.43 -1.26 -2.12 115.29 124.91 3i9v s HIS 465 Ca 0.79 -0.18 -0.06 0.00 -0.80 0.00 0.00 55.06 54.82 3i9v s HIS 465 Cb -0.09 -0.56 0.05 0.00 -1.43 0.00 0.00 32.58 30.55 3i9v s HIS 465 CO 0.04 -0.08 0.26 -2.00 -2.00 0.00 0.00 174.74 170.96 3i9v s GLU 466 N 0.18 0.21 -0.64 -0.38 2.12 -1.14 -4.92 118.70 114.13 3i9v s GLU 466 Ca -0.02 0.59 -0.25 0.00 0.36 0.00 0.00 54.97 55.65 3i9v s GLU 466 Cb -0.07 -0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.27 3i9v s GLU 466 CO 0.00 -0.18 1.06 0.08 -0.54 0.00 0.00 175.26 175.68 3i9v s VAL 467 N 1.47 4.15 0.52 3.70 1.01 -1.26 -3.78 120.40 126.22 3i9v s VAL 467 Ca -0.08 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3i9v s VAL 467 Cb -0.10 -4.70 0.10 0.00 0.00 0.00 0.00 36.38 31.67 3i9v s VAL 467 CO -0.09 -1.44 0.71 0.00 0.00 0.00 0.00 175.10 174.28 3i9v n HIS 468 N 8.14 -2.98 -3.97 5.22 1.44 -1.02 -4.94 115.22 117.12 3i9v n HIS 468 Ca 0.01 -1.33 -0.22 0.00 -2.01 0.00 0.00 57.72 54.18 3i9v n HIS 468 Cb 0.47 -0.52 -0.05 0.00 0.12 0.00 0.00 29.99 30.02 3i9v n HIS 468 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3i9v s ARG 469 N -4.31 2.67 0.71 -1.40 1.70 -1.26 -3.99 118.95 113.06 3i9v s ARG 469 Ca 0.48 -1.30 -0.17 0.00 -0.47 0.00 0.00 55.73 54.27 3i9v s ARG 469 Cb -0.03 -2.41 -0.09 0.00 -0.57 0.00 0.00 34.95 31.85 3i9v s ARG 469 CO 0.32 0.18 0.08 -2.30 -1.08 0.00 0.00 175.30 172.50 3i9v n PRO 470 N -1.25 0.15 -3.88 3.89 -0.02 -1.26 -3.24 135.00 129.38 3i9v n PRO 470 Ca -0.04 0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.23 3i9v n PRO 470 Cb 0.60 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 3i9v n PRO 470 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9v n GLY 471 N 2.25 -0.35 0.00 -1.23 0.00 -1.26 -4.76 105.19 99.84 3i9v n GLY 471 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3i9v n GLY 471 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i9v n GLU 472 N -3.67 2.27 -0.13 1.61 2.13 -1.20 -4.67 120.64 116.98 3i9v n GLU 472 Ca -0.14 -0.11 0.06 0.00 0.66 0.00 0.00 57.16 57.62 3i9v n GLU 472 Cb 0.43 -0.48 0.38 0.00 0.27 0.00 0.00 31.44 32.03 3i9v n GLU 472 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3i9v h GLU 473 N 0.00 0.67 -0.99 5.31 9.09 -1.85 -0.48 114.58 126.33 3i9v h GLU 473 Ca 0.00 -0.04 0.34 0.00 0.05 0.00 0.00 59.36 59.71 3i9v h GLU 473 Cb 0.08 -0.15 -0.18 0.00 -1.65 0.00 0.00 28.75 26.85 3i9v h GLU 473 CO 0.00 0.45 0.28 0.07 0.05 0.00 0.00 179.01 179.85 3i9v h ARG 474 N 0.69 0.02 0.12 1.06 0.11 -1.91 0.42 114.38 114.89 3i9v h ARG 474 Ca 0.27 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.15 3i9v h ARG 474 Cb 0.18 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.27 3i9v h ARG 474 CO -0.08 0.01 -0.90 0.93 0.10 0.00 0.00 179.97 180.04 3i9v h GLU 475 N 0.02 0.26 -0.76 0.08 5.08 -1.45 -3.03 114.58 114.79 3i9v h GLU 475 Ca 0.72 -0.44 0.12 0.00 -1.00 0.00 0.00 59.36 58.75 3i9v h GLU 475 Cb 1.70 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 31.04 3i9v h GLU 475 CO -0.84 1.21 0.36 0.82 -1.00 0.00 0.00 179.01 179.56 3i9v h ILE 476 N -0.42 0.78 -0.30 3.13 5.03 -0.90 -1.75 117.51 123.09 3i9v h ILE 476 Ca -0.17 -0.20 -0.07 0.00 -0.12 0.00 0.00 64.86 64.30 3i9v h ILE 476 Cb 1.61 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 3i9v h ILE 476 CO 0.11 0.11 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.49 3i9v h LEU 477 N 0.58 0.50 -0.29 1.44 4.07 -0.33 -1.89 115.31 119.38 3i9v h LEU 477 Ca 0.39 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 3i9v h LEU 477 Cb 0.49 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3i9v h LEU 477 CO -0.32 0.66 0.12 0.25 -1.08 0.00 0.00 178.44 178.06 3i9v h LEU 478 N 0.47 0.40 -0.54 1.67 6.46 -1.24 -2.61 115.31 119.91 3i9v h LEU 478 Ca 0.09 -0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 3i9v h LEU 478 Cb 0.51 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3i9v h LEU 478 CO 0.03 0.45 0.23 0.00 -0.62 0.00 0.00 178.44 178.53 3i9v h ALA 479 N 0.96 0.69 -0.41 1.25 0.00 -0.86 -2.48 119.26 118.40 3i9v h ALA 479 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i9v h ALA 479 Cb 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i9v h ALA 479 CO -0.01 -0.15 0.12 -0.07 0.00 0.00 0.00 179.25 179.14 3i9v h LEU 480 N 0.44 0.55 0.05 0.00 3.38 -1.15 -2.16 115.31 116.42 3i9v h LEU 480 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3i9v h LEU 480 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i9v h LEU 480 CO -0.23 0.54 -0.05 -0.07 0.09 0.00 0.00 178.44 178.73 3i9v h LEU 481 N 0.60 -0.12 0.00 1.67 3.38 -1.07 -3.47 115.31 116.28 3i9v h LEU 481 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i9v h LEU 481 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i9v h LEU 481 CO -0.01 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.06 3i9v n GLY 482 N -1.15 0.76 0.00 0.83 0.00 -0.81 -5.06 105.19 99.76 3i9v n GLY 482 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i9v n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i9v n ASP 483 N 0.00 1.37 -0.42 1.61 8.00 -1.20 -5.07 116.55 120.84 3i9v n ASP 483 Ca 0.00 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.91 3i9v n ASP 483 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i9v n ASP 483 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i9v n LYS 484 N -0.30 0.00 -3.90 -1.24 4.76 -1.26 -4.95 118.16 111.27 3i9v n LYS 484 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 3i9v n LYS 484 Cb 0.24 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.28 3i9v n LYS 484 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i9v s GLU 485 N -0.27 1.40 0.60 1.97 2.12 -1.26 -4.85 118.70 118.41 3i9v s GLU 485 Ca 0.00 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.35 3i9v s GLU 485 Cb 0.00 -2.51 0.06 0.00 0.26 0.00 0.00 34.13 31.94 3i9v s GLU 485 CO 0.00 -0.67 0.84 0.20 -0.54 0.00 0.00 175.26 175.09 3i9v s GLY 486 N 1.44 1.80 1.27 -1.50 0.00 -1.26 -5.05 107.32 104.02 3i9v s GLY 486 Ca -0.03 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 3i9v s GLY 486 CO -0.08 -1.12 0.65 -1.14 0.00 0.00 0.00 173.10 171.41 3i9v n SER 487 N -2.48 -3.41 -0.01 1.64 3.41 -1.26 -4.56 113.62 106.96 3i9v n SER 487 Ca 0.10 -0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 58.04 3i9v n SER 487 Cb 0.60 -0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 3i9v n SER 487 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i9v h GLU 488 N -3.13 -0.17 -0.80 4.33 5.08 -2.00 -1.72 114.58 116.17 3i9v h GLU 488 Ca -0.38 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3i9v h GLU 488 Cb 1.14 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 3i9v h GLU 488 CO 0.25 -0.11 0.42 0.52 -1.00 0.00 0.00 179.01 179.08 3i9v h MET 489 N -0.17 0.63 0.00 2.33 2.86 -1.91 -0.45 114.93 118.22 3i9v h MET 489 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3i9v h MET 489 Cb 0.31 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3i9v h MET 489 CO -0.24 0.42 0.00 0.28 1.06 0.00 0.00 176.91 178.43 3i9v h VAL 490 N 0.65 0.00 0.08 -2.22 2.07 -1.64 0.19 116.25 115.37 3i9v h VAL 490 Ca 0.42 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 3i9v h VAL 490 Cb 0.51 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3i9v h VAL 490 CO -0.31 0.00 -0.66 0.00 0.02 0.00 0.00 177.57 176.61 3i9v h ALA 491 N 2.06 0.01 -0.42 1.67 0.00 -0.32 -2.46 119.26 119.80 3i9v h ALA 491 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.24 3i9v h ALA 491 Cb 0.55 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3i9v h ALA 491 CO 0.00 0.34 0.28 0.87 0.00 0.00 0.00 179.25 180.75 3i9v h LYS 492 N -0.64 0.28 -0.02 0.00 1.57 -0.85 -1.79 116.57 115.12 3i9v h LYS 492 Ca -0.14 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.40 3i9v h LYS 492 Cb 1.41 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.67 3i9v h LYS 492 CO 0.05 0.19 -0.86 0.00 -0.57 0.00 0.00 179.45 178.26 3i9v h ALA 493 N 1.78 0.14 -0.08 3.86 0.00 -1.05 -2.37 119.26 121.53 3i9v h ALA 493 Ca 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3i9v h ALA 493 Cb 0.36 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i9v h ALA 493 CO -0.04 0.57 -0.04 -0.22 0.00 0.00 0.00 179.25 179.53 3i9v h LYS 494 N 0.26 -0.03 -0.02 0.00 3.64 -1.01 -2.03 116.57 117.38 3i9v h LYS 494 Ca -0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3i9v h LYS 494 Cb 1.53 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3i9v h LYS 494 CO 0.17 -0.02 -0.00 1.49 -2.27 0.00 0.00 179.45 178.82 3i9v h GLU 495 N -0.03 0.03 -0.00 1.90 4.81 -1.37 0.16 114.58 120.09 3i9v h GLU 495 Ca 0.04 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3i9v h GLU 495 Cb 0.09 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.48 3i9v h GLU 495 CO -0.10 0.04 -0.41 0.00 -0.73 0.00 0.00 179.01 177.81 3i9v h ALA 496 N 1.97 0.05 -0.03 2.92 0.00 -1.06 -1.75 119.26 121.36 3i9v h ALA 496 Ca 0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3i9v h ALA 496 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i9v h ALA 496 CO 0.00 0.21 -0.25 2.35 0.00 0.00 0.00 179.25 181.56 3i9v h TRP 497 N -0.32 0.05 0.14 0.00 2.91 -1.19 -0.86 115.95 116.67 3i9v h TRP 497 Ca -0.05 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 3i9v h TRP 497 Cb 1.15 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.77 3i9v h TRP 497 CO 0.16 0.29 -0.16 0.93 -1.03 0.00 0.00 178.44 178.64 3i9v h GLU 498 N 0.04 -0.29 0.00 2.65 4.39 -0.53 -2.86 114.58 117.98 3i9v h GLU 498 Ca 0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i9v h GLU 498 Cb 0.47 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3i9v h GLU 498 CO 0.03 -0.19 0.00 1.63 -1.16 0.00 0.00 179.01 179.32 3i9v n LYS 499 N -3.28 0.14 -1.88 2.33 5.02 -0.67 -4.79 118.16 115.02 3i9v n LYS 499 Ca -0.04 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3i9v n LYS 499 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3i9v n LYS 499 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9v s ALA 500 N -2.68 3.75 -0.14 7.82 0.00 -0.34 -4.94 121.76 125.23 3i9v s ALA 500 Ca 0.11 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 3i9v s ALA 500 Cb 0.09 -3.62 -0.25 0.00 0.00 0.00 0.00 23.12 19.34 3i9v s ALA 500 CO 0.21 -0.85 0.27 1.63 0.00 0.00 0.00 175.76 177.03 3i9v n LYS 501 N 3.02 0.74 -2.85 0.00 4.01 -1.26 -4.69 118.16 117.14 3i9v n LYS 501 Ca 0.11 0.24 -0.11 0.00 -0.51 0.00 0.00 58.31 58.05 3i9v n LYS 501 Cb 0.38 -1.68 0.02 0.00 -0.51 0.00 0.00 35.03 33.24 3i9v n LYS 501 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3i9v n ASN 502 N -3.45 -2.45 -4.90 4.39 3.02 -1.26 -5.06 115.26 105.55 3i9v n ASN 502 Ca -0.34 -3.09 -0.27 0.00 -0.03 0.00 0.00 54.58 50.85 3i9v n ASN 502 Cb 1.04 1.33 0.08 0.00 -0.61 0.00 0.00 39.78 41.62 3i9v n ASN 502 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i9v s PRO 503 N 0.43 2.07 0.01 3.52 0.04 -1.26 -1.97 135.00 137.84 3i9v s PRO 503 Ca 0.32 -0.12 0.02 0.00 0.04 0.00 0.00 61.00 61.25 3i9v s PRO 503 Cb 0.16 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3i9v s PRO 503 CO -0.18 -1.40 -0.06 0.08 0.04 0.00 0.00 177.00 175.48 3i9v s VAL 504 N -3.39 0.40 -0.16 -0.36 1.01 -0.75 -4.33 120.40 112.82 3i9v s VAL 504 Ca 0.61 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3i9v s VAL 504 Cb -0.11 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3i9v s VAL 504 CO 0.46 -0.12 0.02 -0.22 0.00 0.00 0.00 175.10 175.24 3i9v s LEU 505 N -0.73 3.57 -0.06 3.92 2.96 -0.76 -2.44 118.68 125.13 3i9v s LEU 505 Ca -0.04 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3i9v s LEU 505 Cb -0.05 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 3i9v s LEU 505 CO -0.00 0.19 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.41 3i9v s ILE 506 N 0.24 1.55 -0.13 6.68 1.01 -0.43 0.32 121.20 130.44 3i9v s ILE 506 Ca 0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3i9v s ILE 506 Cb -0.13 -1.34 0.09 0.00 0.01 0.00 0.00 42.46 41.09 3i9v s ILE 506 CO 0.01 0.44 0.79 -1.48 0.00 0.00 0.00 174.94 174.71 3i9v s LEU 507 N 0.15 -0.59 0.00 2.97 0.05 -0.79 -1.41 118.68 119.06 3i9v s LEU 507 Ca -0.07 0.76 0.00 0.00 0.05 0.00 0.00 54.13 54.86 3i9v s LEU 507 Cb -0.13 2.31 0.00 0.00 -2.05 0.00 0.00 46.19 46.32 3i9v s LEU 507 CO 0.03 -0.46 0.00 0.61 -0.55 0.00 0.00 176.35 175.99 3i9v n GLY 508 N 1.22 -0.06 0.00 -3.48 0.00 -1.15 -0.73 105.19 101.00 3i9v n GLY 508 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i9v n GLY 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n ALA 509 N -2.02 0.00 -0.21 4.61 0.00 -1.26 -3.77 120.51 117.86 3i9v n ALA 509 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3i9v n ALA 509 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 3i9v n ALA 509 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i9v h GLY 510 N 0.00 0.91 0.87 0.00 0.00 -1.92 0.32 103.07 103.25 3i9v h GLY 510 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3i9v h GLY 510 CO 0.00 0.06 0.05 -2.08 0.00 0.00 0.00 176.54 174.57 3i9v h VAL 511 N 0.51 1.22 -0.00 4.60 2.07 -1.88 -2.22 116.25 120.55 3i9v h VAL 511 Ca 0.41 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3i9v h VAL 511 Cb 0.85 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3i9v h VAL 511 CO -0.16 0.23 -0.27 -0.11 0.02 0.00 0.00 177.57 177.28 3i9v n LEU 512 N -4.72 0.39 -0.02 2.57 7.94 -0.52 -2.22 117.00 120.41 3i9v n LEU 512 Ca -0.03 0.13 0.08 0.00 -1.11 0.00 0.00 56.01 55.08 3i9v n LEU 512 Cb 0.18 -0.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.74 3i9v n LEU 512 CO 0.37 0.09 -0.03 1.67 -1.11 0.00 0.00 177.39 178.38 3i9v n GLN 513 N -1.35 1.16 -3.93 1.96 -0.06 0.10 -1.68 117.38 113.57 3i9v n GLN 513 Ca 0.08 -0.05 -0.31 0.00 -2.00 0.00 0.00 57.00 54.73 3i9v n GLN 513 Cb 0.33 -1.34 -0.15 0.00 -4.06 0.00 0.00 30.24 25.02 3i9v n GLN 513 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3i9v s ASP 514 N -2.65 4.22 0.29 1.69 3.68 -0.84 -4.39 116.67 118.66 3i9v s ASP 514 Ca 0.07 -1.59 0.03 0.00 2.13 0.00 0.00 52.55 53.19 3i9v s ASP 514 Cb 0.13 -1.28 0.70 0.00 -1.45 0.00 0.00 42.92 41.02 3i9v s ASP 514 CO 0.72 -0.31 1.68 0.74 0.13 0.00 0.00 175.17 178.13 3i9v h THR 515 N 6.62 0.44 0.02 1.71 2.02 -1.88 -1.71 112.91 120.13 3i9v h THR 515 Ca -0.13 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3i9v h THR 515 Cb 1.04 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3i9v h THR 515 CO 0.46 0.06 -0.13 0.58 0.37 0.00 0.00 175.52 176.86 3i9v h VAL 516 N 0.34 0.00 0.21 3.16 2.07 -1.95 -0.93 116.25 119.14 3i9v h VAL 516 Ca 0.54 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.06 3i9v h VAL 516 Cb 1.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3i9v h VAL 516 CO -0.56 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 176.69 3i9v h ALA 517 N -1.28 -0.94 -1.30 1.67 0.00 -1.71 -2.69 119.26 113.00 3i9v h ALA 517 Ca -0.00 -0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.18 3i9v h ALA 517 Cb 0.19 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3i9v h ALA 517 CO -0.08 -0.99 0.91 0.00 0.00 0.00 0.00 179.25 179.09 3i9v h ALA 518 N -1.04 3.02 -0.07 0.00 0.00 -0.85 0.50 119.26 120.82 3i9v h ALA 518 Ca -0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3i9v h ALA 518 Cb 0.54 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i9v h ALA 518 CO -0.12 -1.44 -0.45 1.49 0.00 0.00 0.00 179.25 178.73 3i9v h GLU 519 N 0.09 0.42 -0.68 0.00 4.57 -0.90 -2.04 114.58 116.04 3i9v h GLU 519 Ca 0.66 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 3i9v h GLU 519 Cb 2.40 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 31.04 3i9v h GLU 519 CO -0.12 1.01 0.17 0.00 -1.18 0.00 0.00 179.01 178.90 3i9v h ARG 520 N -0.04 1.07 0.13 1.92 3.08 -0.40 -2.74 114.38 117.40 3i9v h ARG 520 Ca -0.04 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.78 3i9v h ARG 520 Cb 1.12 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 3i9v h ARG 520 CO 0.09 0.94 -0.52 0.00 -1.07 0.00 0.00 179.97 179.41 3i9v h ALA 521 N 1.16 -0.97 0.00 0.04 0.00 -0.12 -1.68 119.26 117.69 3i9v h ALA 521 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i9v h ALA 521 Cb 0.34 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i9v h ALA 521 CO -0.00 -1.12 -0.01 -0.09 0.00 0.00 0.00 179.25 178.03 3i9v h ARG 522 N -0.76 0.00 0.28 0.00 2.43 -1.30 -2.83 114.38 112.20 3i9v h ARG 522 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3i9v h ARG 522 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3i9v h ARG 522 CO -0.28 0.01 -0.13 1.25 -1.51 0.00 0.00 179.97 179.31 3i9v h LEU 523 N 0.00 -0.32 -0.81 3.80 6.46 -1.04 -2.06 115.31 121.34 3i9v h LEU 523 Ca -0.00 -0.14 0.20 0.00 -0.12 0.00 0.00 57.88 57.81 3i9v h LEU 523 Cb 0.04 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 39.91 3i9v h LEU 523 CO 0.00 0.17 0.08 0.25 -0.62 0.00 0.00 178.44 178.32 3i9v h LEU 524 N -1.01 -0.24 -0.07 2.25 5.85 -1.11 0.40 115.31 121.38 3i9v h LEU 524 Ca -0.04 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3i9v h LEU 524 Cb 0.44 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3i9v h LEU 524 CO 0.06 -0.18 -0.03 0.00 -0.34 0.00 0.00 178.44 177.96 3i9v n ALA 525 N -2.88 2.59 -0.07 1.25 0.00 -1.09 -2.73 120.51 117.58 3i9v n ALA 525 Ca 0.16 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 3i9v n ALA 525 Cb 0.55 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 3i9v n ALA 525 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9v h GLU 526 N 0.17 0.06 0.21 0.00 5.08 0.50 -3.18 114.58 117.43 3i9v h GLU 526 Ca 0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3i9v h GLU 526 Cb 0.27 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3i9v h GLU 526 CO 0.00 1.05 -0.35 0.00 -1.00 0.00 0.00 179.01 178.71 3i9v h ARG 527 N -0.80 -0.62 -5.89 2.33 3.08 -1.17 -3.35 114.38 107.96 3i9v h ARG 527 Ca -0.30 0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.21 3i9v h ARG 527 Cb 1.40 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.51 3i9v h ARG 527 CO -0.11 -0.41 0.28 0.21 -1.07 0.00 0.00 179.97 178.86 3i9v s LYS 528 N -5.99 4.29 -0.80 0.04 2.20 -1.11 -4.96 119.74 113.43 3i9v s LYS 528 Ca -0.16 0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 56.10 3i9v s LYS 528 Cb 0.07 -3.56 -0.20 0.00 -1.51 0.00 0.00 37.83 32.63 3i9v s LYS 528 CO 0.64 -0.25 1.90 0.41 -0.36 0.00 0.00 175.35 177.68 3i9v n GLY 529 N 3.50 1.04 3.18 5.54 0.00 -1.26 -4.54 105.19 112.65 3i9v n GLY 529 Ca 0.02 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 3i9v n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v s ALA 530 N 9.82 1.35 0.60 4.61 0.00 -1.20 -4.93 121.76 132.01 3i9v s ALA 530 Ca 0.68 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3i9v s ALA 530 Cb 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.99 3i9v s ALA 530 CO 0.19 0.27 0.85 0.15 0.00 0.00 0.00 175.76 177.22 3i9v s LYS 531 N -1.15 2.49 0.08 0.00 1.02 -1.26 -4.75 119.74 116.16 3i9v s LYS 531 Ca 0.03 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.54 3i9v s LYS 531 Cb -0.08 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3i9v s LYS 531 CO 0.01 -0.85 -0.19 0.08 -0.92 0.00 0.00 175.35 173.49 3i9v s VAL 532 N -2.92 1.50 -0.39 3.17 1.01 -0.35 -1.83 120.40 120.58 3i9v s VAL 532 Ca 0.57 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3i9v s VAL 532 Cb -0.10 -1.36 0.10 0.00 0.00 0.00 0.00 36.38 35.01 3i9v s VAL 532 CO 0.41 -0.04 0.17 -0.76 0.00 0.00 0.00 175.10 174.88 3i9v s LEU 533 N -1.64 5.03 -0.61 3.92 1.43 0.15 -2.18 118.68 124.78 3i9v s LEU 533 Ca 0.04 -1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.03 3i9v s LEU 533 Cb -0.09 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.36 3i9v s LEU 533 CO 0.03 -0.50 0.95 0.00 0.23 0.00 0.00 176.35 177.07 3i9v s ALA 534 N 1.17 3.13 -1.24 4.21 0.00 -1.26 -1.88 121.76 125.90 3i9v s ALA 534 Ca 0.06 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.37 3i9v s ALA 534 Cb -0.22 -3.80 -0.07 0.00 0.00 0.00 0.00 23.12 19.03 3i9v s ALA 534 CO -0.03 -2.60 2.47 -1.33 0.00 0.00 0.00 175.76 174.27 3i9v n MET 535 N 7.61 2.78 -1.63 0.00 0.00 0.10 -4.87 117.12 121.10 3i9v n MET 535 Ca -0.01 -1.86 -0.47 0.00 0.00 0.00 0.00 57.70 55.37 3i9v n MET 535 Cb 0.46 -2.67 -0.03 0.00 0.00 0.00 0.00 33.22 30.98 3i9v n MET 535 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3i9v n THR 536 N 4.09 0.92 0.53 2.03 -2.24 -1.26 -4.53 114.28 113.83 3i9v n THR 536 Ca 0.60 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 62.21 3i9v n THR 536 Cb 0.20 -1.19 0.30 0.00 -2.10 0.00 0.00 70.33 67.54 3i9v n THR 536 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3i9v n PRO 537 N 1.91 0.10 -3.95 -0.78 -0.04 -1.26 -4.49 135.00 126.49 3i9v n PRO 537 Ca 0.13 0.22 -0.35 0.00 -0.04 0.00 0.00 63.50 63.46 3i9v n PRO 537 Cb 0.28 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 3i9v n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9v s ALA 538 N -2.78 3.37 0.04 0.55 0.00 -1.26 -4.55 121.76 117.12 3i9v s ALA 538 Ca 0.09 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 3i9v s ALA 538 Cb 0.09 -1.98 -0.14 0.00 0.00 0.00 0.00 23.12 21.09 3i9v s ALA 538 CO 0.22 0.02 1.39 0.00 0.00 0.00 0.00 175.76 177.39 3i9v h ALA 539 N 7.06 -1.23 -0.11 0.00 0.00 -1.80 -2.55 119.26 120.64 3i9v h ALA 539 Ca -0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3i9v h ALA 539 Cb 1.17 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3i9v h ALA 539 CO 0.67 -1.17 0.03 -1.71 0.00 0.00 0.00 179.25 177.07 3i9v n ASN 540 N -4.55 2.17 -0.14 0.00 5.15 -0.47 -4.26 115.26 113.16 3i9v n ASN 540 Ca -0.11 -2.17 -0.10 0.00 -0.60 0.00 0.00 54.58 51.59 3i9v n ASN 540 Cb 0.37 -0.54 -0.08 0.00 -0.53 0.00 0.00 39.78 39.01 3i9v n ASN 540 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9v h ALA 541 N 2.15 -0.64 -0.14 5.20 0.00 -1.65 0.58 119.26 124.76 3i9v h ALA 541 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i9v h ALA 541 Cb 0.91 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3i9v h ALA 541 CO 0.10 -0.86 0.17 -0.09 0.00 0.00 0.00 179.25 178.57 3i9v h ARG 542 N -0.27 0.00 0.05 0.00 9.65 -1.81 -2.29 114.38 119.72 3i9v h ARG 542 Ca 0.07 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.63 3i9v h ARG 542 Cb 0.44 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 3i9v h ARG 542 CO -0.50 0.00 -1.74 0.41 2.80 0.00 0.00 179.97 180.94 3i9v n GLY 543 N -1.37 -0.67 0.20 2.80 0.00 -0.52 -2.79 105.19 102.84 3i9v n GLY 543 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 3i9v n GLY 543 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9v h LEU 544 N -0.52 0.32 -1.22 0.99 3.38 -0.81 0.48 115.31 117.93 3i9v h LEU 544 Ca -0.42 0.04 0.13 0.00 0.09 0.00 0.00 57.88 57.71 3i9v h LEU 544 Cb 1.65 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.31 3i9v h LEU 544 CO -0.11 0.22 0.58 -0.33 0.09 0.00 0.00 178.44 178.90 3i9v h GLU 545 N 0.46 0.76 0.00 1.13 5.08 -1.58 0.82 114.58 121.25 3i9v h GLU 545 Ca 0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3i9v h GLU 545 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3i9v h GLU 545 CO -0.17 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 3i9v n ALA 546 N -2.41 1.62 0.99 3.43 0.00 0.07 -2.24 120.51 121.96 3i9v n ALA 546 Ca 0.17 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.79 3i9v n ALA 546 Cb 0.42 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 3i9v n ALA 546 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i9v n MET 547 N -2.15 0.54 -1.42 0.00 2.81 0.24 -4.97 117.12 112.17 3i9v n MET 547 Ca 0.02 -0.39 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 3i9v n MET 547 Cb 0.21 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3i9v n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i9v n GLY 548 N 1.46 0.71 2.30 3.03 0.00 -0.95 -4.76 105.19 106.98 3i9v n GLY 548 Ca 0.06 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 3i9v n GLY 548 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9v n VAL 549 N -3.22 3.16 -4.87 1.61 0.31 -0.97 -4.84 118.33 109.52 3i9v n VAL 549 Ca 0.00 -2.50 -0.33 0.00 -0.01 0.00 0.00 64.34 61.50 3i9v n VAL 549 Cb 0.33 -1.62 -0.13 0.00 -0.91 0.00 0.00 33.84 31.50 3i9v n VAL 549 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i9v s LEU 550 N -1.72 2.73 0.92 7.52 1.02 -1.25 -4.11 118.68 123.79 3i9v s LEU 550 Ca 0.55 -0.23 -0.11 0.00 0.02 0.00 0.00 54.13 54.36 3i9v s LEU 550 Cb 0.34 -1.57 0.09 0.00 0.02 0.00 0.00 46.19 45.08 3i9v s LEU 550 CO -0.15 0.30 0.82 -0.81 0.02 0.00 0.00 176.35 176.53 3i9v n PRO 551 N 2.61 -0.34 -0.41 1.29 -0.04 -0.53 -4.70 135.00 132.87 3i9v n PRO 551 Ca -0.17 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 3i9v n PRO 551 Cb 0.52 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3i9v n PRO 551 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9v n GLY 552 N 0.85 1.65 0.21 0.55 0.00 0.56 -4.94 105.19 104.06 3i9v n GLY 552 Ca 0.10 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 3i9v n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v h ALA 553 N -0.48 0.34 -0.35 4.61 0.00 -1.96 -3.14 119.26 118.29 3i9v h ALA 553 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3i9v h ALA 553 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3i9v h ALA 553 CO 0.00 -0.44 -0.21 1.17 0.00 0.00 0.00 179.25 179.77 3i9v n LYS 554 N -5.37 -0.15 0.00 0.00 3.00 -1.26 -4.91 118.16 109.46 3i9v n LYS 554 Ca 0.05 1.08 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 3i9v n LYS 554 Cb 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.70 3i9v n LYS 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9v n GLY 555 N -1.09 2.37 3.41 3.14 0.00 -1.19 -5.09 105.19 106.75 3i9v n GLY 555 Ca 0.01 -0.31 -0.49 0.00 0.00 0.00 0.00 46.02 45.23 3i9v n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n ALA 556 N 0.00 0.56 -2.14 4.61 0.00 -1.26 -4.92 120.51 117.35 3i9v n ALA 556 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 3i9v n ALA 556 Cb 0.00 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.07 3i9v n ALA 556 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i9v s SER 557 N 7.87 5.11 0.36 0.00 1.04 -1.24 -4.49 113.70 122.34 3i9v s SER 557 Ca 1.19 -0.81 0.18 0.00 0.48 0.00 0.00 55.95 56.98 3i9v s SER 557 Cb -1.10 -0.08 0.97 0.00 0.10 0.00 0.00 66.02 65.91 3i9v s SER 557 CO 0.52 -1.02 1.49 4.11 0.98 0.00 0.00 173.24 179.32 3i9v h TRP 558 N 0.58 0.00 0.00 5.02 5.08 -1.91 -1.34 115.95 123.38 3i9v h TRP 558 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.61 3i9v h TRP 558 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 3i9v h TRP 558 CO 0.55 0.00 -0.71 -0.40 -1.28 0.00 0.00 178.44 176.60 3i9v n ASP 559 N -2.21 3.00 -4.53 0.11 5.75 -1.26 -4.62 116.55 112.80 3i9v n ASP 559 Ca -0.01 -0.19 -0.43 0.00 -0.01 0.00 0.00 54.79 54.15 3i9v n ASP 559 Cb 0.23 1.05 -0.05 0.00 -1.03 0.00 0.00 41.12 41.32 3i9v n ASP 559 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i9v s GLU 560 N -1.76 3.36 -0.52 0.11 2.02 -0.50 -4.50 118.70 116.90 3i9v s GLU 560 Ca -0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 3i9v s GLU 560 Cb 0.01 -3.99 -0.08 0.00 0.10 0.00 0.00 34.13 30.17 3i9v s GLU 560 CO 0.06 -1.26 2.43 -0.35 0.02 0.00 0.00 175.26 176.16 3i9v n PRO 561 N 6.95 0.98 0.00 0.39 -0.04 -1.26 -3.72 135.00 138.29 3i9v n PRO 561 Ca 0.01 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3i9v n PRO 561 Cb 0.48 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 3i9v n PRO 561 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9v n GLY 562 N 6.07 0.11 1.90 0.55 0.00 -1.26 -4.99 105.19 107.56 3i9v n GLY 562 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 3i9v n GLY 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n ALA 563 N -2.28 -2.61 0.00 4.61 0.00 -1.26 -5.02 120.51 113.94 3i9v n ALA 563 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3i9v n ALA 563 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3i9v n ALA 563 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i9v n LEU 564 N 0.00 1.27 -4.09 0.00 7.94 -1.02 -4.78 117.00 116.32 3i9v n LEU 564 Ca 0.07 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 3i9v n LEU 564 Cb 0.30 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.08 3i9v n LEU 564 CO 0.20 0.21 -0.51 -0.31 -1.11 0.00 0.00 177.39 175.87 3i9v s TYR 565 N -1.92 2.23 0.02 1.96 2.02 -0.80 -0.75 117.35 120.12 3i9v s TYR 565 Ca 0.00 -1.11 -0.09 0.00 -0.37 0.00 0.00 57.07 55.50 3i9v s TYR 565 Cb 0.00 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3i9v s TYR 565 CO 0.00 -0.55 0.18 0.00 -1.57 0.00 0.00 175.55 173.61 3i9v s ALA 566 N 1.01 -0.37 -0.12 3.71 0.00 -0.85 0.18 121.76 125.32 3i9v s ALA 566 Ca -0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 3i9v s ALA 566 Cb -0.15 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3i9v s ALA 566 CO -0.03 -0.31 0.23 -0.47 0.00 0.00 0.00 175.76 175.18 3i9v s TYR 567 N -2.14 3.56 -0.08 0.00 5.04 0.52 -1.76 117.35 122.49 3i9v s TYR 567 Ca -0.08 0.61 0.04 0.00 -2.44 0.00 0.00 57.07 55.19 3i9v s TYR 567 Cb -0.03 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.13 3i9v s TYR 567 CO -0.02 0.52 -0.21 0.71 -1.34 0.00 0.00 175.55 175.22 3i9v s TYR 568 N -0.43 2.18 -0.69 4.97 2.02 0.12 -1.02 117.35 124.50 3i9v s TYR 568 Ca 0.16 -0.80 0.15 0.00 -0.37 0.00 0.00 57.07 56.21 3i9v s TYR 568 Cb -0.13 -1.47 0.74 0.00 -0.40 0.00 0.00 41.96 40.70 3i9v s TYR 568 CO 0.05 -0.31 1.64 0.41 -1.57 0.00 0.00 175.55 175.77 3i9v n GLY 569 N 3.41 2.76 0.00 0.71 0.00 0.82 0.10 105.19 112.99 3i9v n GLY 569 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3i9v n GLY 569 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i9v n PHE 570 N 0.82 -0.25 -3.81 1.61 -1.74 -1.26 -3.98 117.46 108.84 3i9v n PHE 570 Ca 0.26 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.78 3i9v n PHE 570 Cb 1.02 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.89 3i9v n PHE 570 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3i9v s VAL 571 N -2.74 3.37 0.98 1.97 1.01 -1.26 -4.75 120.40 118.98 3i9v s VAL 571 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.35 3i9v s VAL 571 Cb 0.00 -3.02 0.22 0.00 0.00 0.00 0.00 36.38 33.58 3i9v s VAL 571 CO 0.00 -0.29 1.34 -2.84 0.00 0.00 0.00 175.10 173.31 3i9v s PRO 572 N 1.28 0.40 0.32 2.72 0.02 -1.26 -5.01 135.00 133.46 3i9v s PRO 572 Ca -0.01 -0.57 -0.29 0.00 0.02 0.00 0.00 61.00 60.15 3i9v s PRO 572 Cb -0.21 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3i9v s PRO 572 CO -0.00 -2.55 1.58 -1.25 -0.33 0.00 0.00 177.00 174.44 3i9v s PRO 573 N -5.92 4.11 0.63 5.54 0.04 -1.26 -4.85 135.00 133.28 3i9v s PRO 573 Ca 0.76 2.60 0.27 0.00 0.04 0.00 0.00 61.00 64.67 3i9v s PRO 573 Cb -0.02 -3.00 1.43 0.00 0.04 0.00 0.00 34.50 32.95 3i9v s PRO 573 CO 0.53 -0.62 1.83 1.49 0.04 0.00 0.00 177.00 180.27 3i9v h GLU 574 N 4.39 0.00 0.00 4.56 4.81 -1.89 0.06 114.58 126.52 3i9v h GLU 574 Ca -0.48 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3i9v h GLU 574 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3i9v h GLU 574 CO 0.76 0.00 -0.12 1.49 -0.73 0.00 0.00 179.01 180.41 3i9v h GLU 575 N 0.00 0.00 0.00 1.92 4.57 -1.89 -2.85 114.58 116.33 3i9v h GLU 575 Ca 0.12 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3i9v h GLU 575 Cb 1.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 3i9v h GLU 575 CO -0.00 0.12 -1.54 0.00 -1.18 0.00 0.00 179.01 176.41 3i9v n ALA 576 N -2.16 2.34 0.03 2.92 0.00 0.01 -4.42 120.51 119.22 3i9v n ALA 576 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 3i9v n ALA 576 Cb 0.40 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3i9v n ALA 576 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9v h LEU 577 N 0.00 -0.11 -8.51 0.00 -0.00 -1.59 -3.42 115.31 101.67 3i9v h LEU 577 Ca -0.10 0.00 -0.81 0.00 -0.00 0.00 0.00 57.88 56.97 3i9v h LEU 577 Cb 1.29 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 3i9v h LEU 577 CO 0.02 0.15 1.04 1.17 -0.00 0.00 0.00 178.44 180.81 3i9v n LYS 578 N -3.63 0.13 0.00 1.13 4.81 -1.08 -2.21 118.16 117.29 3i9v n LYS 578 Ca -0.02 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3i9v n LYS 578 Cb 0.05 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.52 3i9v n LYS 578 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9v n GLY 579 N 5.79 2.29 1.44 3.14 0.00 -1.26 -4.98 105.19 111.61 3i9v n GLY 579 Ca 0.43 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 3i9v n GLY 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9v n LYS 580 N 0.00 0.00 0.01 1.61 5.02 -0.94 -4.93 118.16 118.94 3i9v n LYS 580 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3i9v n LYS 580 Cb 0.00 -0.44 -0.14 0.00 -0.02 0.00 0.00 35.03 34.43 3i9v n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9v h ARG 581 N 0.08 0.22 -4.56 1.97 3.08 -1.28 -3.46 114.38 110.45 3i9v h ARG 581 Ca -0.17 -0.38 -0.50 0.00 0.07 0.00 0.00 59.98 59.00 3i9v h ARG 581 Cb 0.64 0.14 -0.33 0.00 0.08 0.00 0.00 29.97 30.50 3i9v h ARG 581 CO 0.20 1.18 -0.81 0.12 -1.07 0.00 0.00 179.97 179.59 3i9v s PHE 582 N -2.41 1.34 -0.07 3.04 5.36 -0.92 -5.03 117.98 119.30 3i9v s PHE 582 Ca -0.17 -0.46 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 3i9v s PHE 582 Cb 0.01 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 3i9v s PHE 582 CO 0.78 -0.24 -0.18 0.14 -1.46 0.00 0.00 175.22 174.26 3i9v s VAL 583 N 0.58 1.57 -0.25 3.12 -7.23 -1.26 -2.02 120.40 114.90 3i9v s VAL 583 Ca -0.12 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3i9v s VAL 583 Cb -0.14 -1.37 0.07 0.00 0.56 0.00 0.00 36.38 35.49 3i9v s VAL 583 CO 0.03 0.45 -0.02 0.68 -0.31 0.00 0.00 175.10 175.92 3i9v s VAL 584 N 0.36 1.53 -0.23 1.32 -7.23 -0.72 -2.46 120.40 112.98 3i9v s VAL 584 Ca -0.13 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 3i9v s VAL 584 Cb -0.15 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3i9v s VAL 584 CO 0.05 -0.22 0.46 -0.04 -0.31 0.00 0.00 175.10 175.04 3i9v s MET 585 N 1.37 4.12 -1.01 4.82 -1.94 -1.10 0.16 119.30 125.72 3i9v s MET 585 Ca -0.02 0.26 -0.02 0.00 -1.71 0.00 0.00 55.69 54.20 3i9v s MET 585 Cb -0.19 -3.60 0.30 0.00 2.01 0.00 0.00 34.83 33.36 3i9v s MET 585 CO -0.08 -0.20 1.43 1.58 -0.01 0.00 0.00 175.02 177.73 3i9v n HIS 586 N 5.01 2.50 -1.75 -0.03 -0.00 0.28 -1.06 115.22 120.17 3i9v n HIS 586 Ca -0.06 -2.79 -0.16 0.00 0.46 0.00 0.00 57.72 55.16 3i9v n HIS 586 Cb 0.50 -1.14 0.11 0.00 -0.12 0.00 0.00 29.99 29.34 3i9v n HIS 586 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3i9v n LEU 587 N 1.05 0.00 0.00 0.27 4.77 -1.07 -4.47 117.00 117.54 3i9v n LEU 587 Ca 0.29 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3i9v n LEU 587 Cb 0.33 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3i9v n LEU 587 CO 0.66 -0.99 -0.49 -1.54 -1.33 0.00 0.00 177.39 173.69 3i9v n SER 588 N -3.37 4.33 -4.71 -1.43 3.41 -1.26 0.12 113.62 110.70 3i9v n SER 588 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.47 3i9v n SER 588 Cb 0.34 0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 3i9v n SER 588 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i9v s HIS 589 N -1.98 2.64 -0.43 7.33 3.76 -1.26 -2.16 115.29 123.18 3i9v s HIS 589 Ca 0.00 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 3i9v s HIS 589 Cb 0.00 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 32.02 3i9v s HIS 589 CO 0.00 0.32 0.33 -1.17 -0.85 0.00 0.00 174.74 173.37 3i9v s LEU 590 N -3.83 5.28 0.48 0.89 2.96 -1.26 -4.83 118.68 118.37 3i9v s LEU 590 Ca 0.38 -1.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 3i9v s LEU 590 Cb 0.00 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.44 3i9v s LEU 590 CO 0.22 -0.52 1.00 -2.28 -1.32 0.00 0.00 176.35 173.45 3i9v s HIS 591 N 1.66 3.19 0.39 5.38 5.65 -1.26 -4.98 115.29 125.33 3i9v s HIS 591 Ca 0.05 1.57 0.12 0.00 0.25 0.00 0.00 55.06 57.05 3i9v s HIS 591 Cb -0.21 -2.93 0.80 0.00 -1.18 0.00 0.00 32.58 29.06 3i9v s HIS 591 CO 0.09 -0.49 1.89 -1.35 -0.65 0.00 0.00 174.74 174.22 3i9v h PRO 592 N 1.52 0.07 0.00 2.88 0.11 -1.98 -2.83 132.00 131.77 3i9v h PRO 592 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i9v h PRO 592 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i9v h PRO 592 CO 0.60 0.33 0.00 1.28 -0.21 0.00 0.00 178.00 180.00 3i9v n LEU 593 N -4.20 0.00 -0.09 2.35 7.99 -1.26 -3.18 117.00 118.61 3i9v n LEU 593 Ca -0.02 0.12 -0.13 0.00 -0.01 0.00 0.00 56.01 55.97 3i9v n LEU 593 Cb 0.33 -0.12 -0.08 0.00 -0.11 0.00 0.00 43.42 43.44 3i9v n LEU 593 CO 0.38 -0.05 -1.07 0.00 -1.51 0.00 0.00 177.39 175.15 3i9v n ALA 594 N -1.12 1.66 0.87 -1.18 0.00 -1.09 -3.74 120.51 115.92 3i9v n ALA 594 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3i9v n ALA 594 Cb 0.10 0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.69 3i9v n ALA 594 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i9v n GLU 595 N -3.12 0.44 0.00 0.00 0.28 -1.11 -0.94 120.64 116.19 3i9v n GLU 595 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.69 3i9v n GLU 595 Cb 0.81 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.68 3i9v n GLU 595 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i9v n ARG 596 N -0.51 4.45 0.00 3.44 1.74 -1.23 -4.84 116.66 119.71 3i9v n ARG 596 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9v n ARG 596 Cb 0.00 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3i9v n ARG 596 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i9v n TYR 597 N -0.32 0.00 -4.15 -1.55 4.02 -1.13 -5.07 117.16 108.95 3i9v n TYR 597 Ca 0.00 -0.19 -0.32 0.00 -0.01 0.00 0.00 57.90 57.38 3i9v n TYR 597 Cb 0.01 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 3i9v n TYR 597 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i9v s ALA 598 N -0.38 3.47 -0.22 -0.72 0.00 -0.12 -4.82 121.76 118.98 3i9v s ALA 598 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3i9v s ALA 598 Cb 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 23.12 21.55 3i9v s ALA 598 CO 0.00 0.69 -0.24 0.72 0.00 0.00 0.00 175.76 176.93 3i9v n HIS 599 N 1.06 0.00 -3.67 0.00 8.25 -1.11 -4.76 115.22 114.99 3i9v n HIS 599 Ca -0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.04 3i9v n HIS 599 Cb 0.52 -0.82 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 3i9v n HIS 599 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i9v s VAL 600 N -2.42 0.56 -0.11 1.59 1.01 -1.03 -2.32 120.40 117.68 3i9v s VAL 600 Ca -0.30 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.38 3i9v s VAL 600 Cb 0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3i9v s VAL 600 CO 0.45 -0.66 0.37 -0.69 0.00 0.00 0.00 175.10 174.57 3i9v s VAL 601 N 1.78 5.21 -0.10 2.92 1.01 -0.94 -2.70 120.40 127.58 3i9v s VAL 601 Ca 0.09 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.80 3i9v s VAL 601 Cb -0.17 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3i9v s VAL 601 CO -0.28 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.37 3i9v s LEU 602 N 0.05 1.57 0.19 3.92 1.02 -0.23 -0.76 118.68 124.45 3i9v s LEU 602 Ca 0.21 -0.37 -0.33 0.00 0.02 0.00 0.00 54.13 53.66 3i9v s LEU 602 Cb -0.14 -0.97 -0.14 0.00 0.02 0.00 0.00 46.19 44.95 3i9v s LEU 602 CO 0.08 -0.02 1.40 -0.81 0.02 0.00 0.00 176.35 177.03 3i9v n PRO 603 N 4.33 1.83 -4.26 1.29 -0.04 -1.26 -2.61 135.00 134.28 3i9v n PRO 603 Ca -0.18 0.66 -0.18 0.00 -0.04 0.00 0.00 63.50 63.75 3i9v n PRO 603 Cb 0.51 -2.31 -0.11 0.00 -0.04 0.00 0.00 33.50 31.55 3i9v n PRO 603 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9v s ALA 604 N 0.21 1.59 0.32 0.55 0.00 0.33 -3.38 121.76 121.37 3i9v s ALA 604 Ca 0.73 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 3i9v s ALA 604 Cb -0.72 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 3i9v s ALA 604 CO 0.47 0.12 0.76 -1.25 0.00 0.00 0.00 175.76 175.86 3i9v s PRO 605 N -2.75 4.09 1.00 0.00 0.04 -1.26 -4.31 135.00 131.82 3i9v s PRO 605 Ca 0.11 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 3i9v s PRO 605 Cb -0.05 -2.50 0.19 0.00 0.04 0.00 0.00 34.50 32.18 3i9v s PRO 605 CO 0.04 0.18 1.10 0.95 0.04 0.00 0.00 177.00 179.31 3i9v s THR 606 N -1.91 2.03 0.40 1.26 -4.23 -1.26 -4.87 115.64 107.06 3i9v s THR 606 Ca 0.53 0.01 0.23 0.00 -1.18 0.00 0.00 61.69 61.28 3i9v s THR 606 Cb -0.12 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3i9v s THR 606 CO 0.18 -0.01 2.02 2.19 -0.54 0.00 0.00 174.62 178.45 3i9v h PHE 607 N -1.88 0.00 -0.10 3.99 -5.15 -1.97 -2.27 116.94 109.56 3i9v h PHE 607 Ca -0.54 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.20 3i9v h PHE 607 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.50 3i9v h PHE 607 CO 0.28 0.16 -0.04 1.88 -2.00 0.00 0.00 178.31 178.60 3i9v h TYR 608 N 0.00 0.14 -0.20 6.09 0.05 -1.91 -2.92 116.97 118.22 3i9v h TYR 608 Ca -0.00 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3i9v h TYR 608 Cb 0.39 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 3i9v h TYR 608 CO 0.00 0.19 -0.18 -0.85 -1.05 0.00 0.00 178.16 176.27 3i9v n GLU 609 N -4.41 1.83 -1.55 4.88 0.28 -0.88 -1.62 120.64 119.16 3i9v n GLU 609 Ca -0.01 -3.11 -0.05 0.00 -0.16 0.00 0.00 57.16 53.83 3i9v n GLU 609 Cb 0.17 -1.72 0.01 0.00 1.43 0.00 0.00 31.44 31.33 3i9v n GLU 609 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i9v n LYS 610 N -1.09 0.97 -3.63 3.44 5.02 -1.02 -4.69 118.16 117.16 3i9v n LYS 610 Ca 0.26 -0.73 -0.11 0.00 -2.02 0.00 0.00 58.31 55.70 3i9v n LYS 610 Cb 0.87 -0.03 -0.07 0.00 -0.02 0.00 0.00 35.03 35.78 3i9v n LYS 610 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3i9v s ARG 611 N -2.59 0.77 0.00 1.97 3.52 -1.26 -1.65 118.95 119.71 3i9v s ARG 611 Ca 0.13 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 3i9v s ARG 611 Cb -0.01 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 3i9v s ARG 611 CO 0.08 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 3i9v n GLY 612 N 3.13 0.82 3.48 8.12 0.00 -0.99 -4.97 105.19 114.77 3i9v n GLY 612 Ca -0.16 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 3i9v n GLY 612 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9v s HIS 613 N -3.13 2.21 0.33 1.61 3.76 -1.26 0.01 115.29 118.81 3i9v s HIS 613 Ca 0.00 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3i9v s HIS 613 Cb 0.00 -1.14 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 3i9v s HIS 613 CO 0.00 0.55 0.10 -0.51 -0.85 0.00 0.00 174.74 174.03 3i9v s LEU 614 N -3.51 1.93 -0.03 0.89 1.02 0.12 -0.74 118.68 118.34 3i9v s LEU 614 Ca 0.30 -1.48 0.02 0.00 0.02 0.00 0.00 54.13 52.99 3i9v s LEU 614 Cb -0.00 -0.13 0.01 0.00 0.02 0.00 0.00 46.19 46.08 3i9v s LEU 614 CO 0.14 -0.76 -0.09 -0.69 0.02 0.00 0.00 176.35 174.97 3i9v s VAL 615 N -3.43 0.84 0.63 -1.59 1.01 -1.26 -1.10 120.40 115.50 3i9v s VAL 615 Ca 0.33 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3i9v s VAL 615 Cb 0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3i9v s VAL 615 CO 0.15 0.27 1.04 0.21 0.00 0.00 0.00 175.10 176.77 3i9v s ASN 616 N 0.33 5.91 0.00 3.32 3.84 0.36 -4.48 114.94 124.23 3i9v s ASN 616 Ca -0.06 1.58 0.03 0.00 0.21 0.00 0.00 52.86 54.62 3i9v s ASN 616 Cb -0.10 -2.50 0.18 0.00 -0.55 0.00 0.00 41.25 38.28 3i9v s ASN 616 CO 0.01 -1.08 0.91 0.00 -2.79 0.00 0.00 177.10 174.14 3i9v n LEU 617 N -2.60 0.00 -0.38 3.21 -0.00 -0.68 0.72 117.00 117.27 3i9v n LEU 617 Ca 0.07 0.26 0.04 0.00 -0.00 0.00 0.00 56.01 56.38 3i9v n LEU 617 Cb 0.54 -0.26 0.06 0.00 -0.00 0.00 0.00 43.42 43.75 3i9v n LEU 617 CO 0.54 -0.23 0.45 -1.84 -0.00 0.00 0.00 177.39 176.30 3i9v n GLU 618 N -1.26 0.97 -0.69 1.47 0.28 -1.26 -4.31 120.64 115.84 3i9v n GLU 618 Ca 0.02 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.75 3i9v n GLU 618 Cb 0.03 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 31.72 3i9v n GLU 618 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i9v n GLY 619 N 0.41 0.64 3.76 -1.84 0.00 0.22 -4.46 105.19 103.92 3i9v n GLY 619 Ca 0.06 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3i9v n GLY 619 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9v s ARG 620 N -0.47 4.39 -0.37 1.61 3.52 -1.26 -1.83 118.95 124.55 3i9v s ARG 620 Ca 0.00 0.89 -0.21 0.00 -0.13 0.00 0.00 55.73 56.28 3i9v s ARG 620 Cb 0.00 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 3i9v s ARG 620 CO 0.00 0.38 0.65 0.14 -0.81 0.00 0.00 175.30 175.66 3i9v s VAL 621 N -0.29 4.86 0.04 7.11 -7.23 -0.87 0.14 120.40 124.15 3i9v s VAL 621 Ca 0.34 0.52 0.02 0.00 -1.81 0.00 0.00 61.98 61.05 3i9v s VAL 621 Cb -0.20 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.59 3i9v s VAL 621 CO 0.20 -0.38 0.04 -0.76 -0.31 0.00 0.00 175.10 173.89 3i9v s LEU 622 N 2.77 3.67 0.16 1.32 1.43 -0.26 -1.24 118.68 126.52 3i9v s LEU 622 Ca 0.25 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 3i9v s LEU 622 Cb -0.14 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 3i9v s LEU 622 CO 0.16 0.23 0.60 -2.16 0.23 0.00 0.00 176.35 175.41 3i9v s PRO 623 N -1.96 4.09 -0.23 1.29 0.04 -1.26 0.12 135.00 137.09 3i9v s PRO 623 Ca 0.24 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 3i9v s PRO 623 Cb -0.12 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 3i9v s PRO 623 CO 0.16 0.48 0.02 -0.51 0.04 0.00 0.00 177.00 177.19 3i9v s LEU 624 N -1.82 3.23 0.13 -3.56 1.43 0.10 -3.22 118.68 114.96 3i9v s LEU 624 Ca 0.38 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 3i9v s LEU 624 Cb -0.16 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3i9v s LEU 624 CO 0.20 -0.00 0.00 -0.44 0.23 0.00 0.00 176.35 176.34 3i9v s SER 625 N 1.41 4.92 -0.39 2.29 0.01 -1.26 -2.35 113.70 118.33 3i9v s SER 625 Ca 0.05 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.81 3i9v s SER 625 Cb -0.15 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 64.98 3i9v s SER 625 CO 0.01 0.13 0.73 -2.16 0.41 0.00 0.00 173.24 172.37 3i9v s PRO 626 N -2.61 3.60 0.32 12.44 0.04 -0.66 -4.56 135.00 143.57 3i9v s PRO 626 Ca 0.26 0.07 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 3i9v s PRO 626 Cb -0.11 -3.86 -0.09 0.00 0.04 0.00 0.00 34.50 30.48 3i9v s PRO 626 CO 0.18 -0.91 0.99 0.00 0.04 0.00 0.00 177.00 177.31 3i9v s ALA 627 N 3.03 3.23 0.00 8.56 0.00 -0.64 -4.92 121.76 131.01 3i9v s ALA 627 Ca 0.28 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 3i9v s ALA 627 Cb -0.13 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3i9v s ALA 627 CO 0.18 0.05 1.64 -2.30 0.00 0.00 0.00 175.76 175.33 3i9v n PRO 628 N 0.64 0.80 -2.28 0.00 -0.02 -1.26 -4.66 135.00 128.21 3i9v n PRO 628 Ca 0.02 -0.30 -0.28 0.00 -2.02 0.00 0.00 63.50 60.91 3i9v n PRO 628 Cb 0.49 -1.56 0.02 0.00 -0.02 0.00 0.00 33.50 32.43 3i9v n PRO 628 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i9v s ILE 629 N 1.63 4.11 -0.78 4.25 1.01 -1.26 -3.14 121.20 127.03 3i9v s ILE 629 Ca 0.20 0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.88 3i9v s ILE 629 Cb 0.10 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3i9v s ILE 629 CO 0.00 -0.70 1.84 -0.70 0.00 0.00 0.00 174.94 175.37 3i9v s GLU 630 N -5.02 2.69 0.29 2.79 2.56 0.06 -4.82 118.70 117.26 3i9v s GLU 630 Ca 0.53 0.04 0.23 0.00 0.00 0.00 0.00 54.97 55.78 3i9v s GLU 630 Cb -0.11 -4.74 0.28 0.00 2.00 0.00 0.00 34.13 31.56 3i9v s GLU 630 CO 0.48 -2.95 1.40 -2.95 -0.56 0.00 0.00 175.26 170.68 3i9v h ASN 631 N 12.69 0.00 0.00 -1.70 -1.07 -1.93 -3.50 115.58 120.07 3i9v h ASN 631 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.27 3i9v h ASN 631 Cb 1.08 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 3i9v h ASN 631 CO 1.23 0.01 0.00 0.61 0.07 0.00 0.00 177.43 179.36 3i9v n GLY 632 N 1.18 2.21 2.11 9.14 0.00 -1.26 -2.63 105.19 115.94 3i9v n GLY 632 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 3i9v n GLY 632 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9v n GLU 633 N 8.59 2.00 -3.58 1.61 1.02 -0.22 -4.97 120.64 125.09 3i9v n GLU 633 Ca 0.00 -1.54 -0.32 0.00 -0.02 0.00 0.00 57.16 55.28 3i9v n GLU 633 Cb 0.00 -1.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 3i9v n GLU 633 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9v s ALA 634 N -0.82 3.71 -0.01 0.62 0.00 -1.08 -4.75 121.76 119.43 3i9v s ALA 634 Ca 0.48 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3i9v s ALA 634 Cb 0.29 -2.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 3i9v s ALA 634 CO -0.09 0.60 -0.08 -1.21 0.00 0.00 0.00 175.76 174.98 3i9v s GLU 635 N -2.53 0.76 0.71 0.00 0.41 -1.22 -4.91 118.70 111.92 3i9v s GLU 635 Ca 0.41 -0.29 -0.16 0.00 -0.41 0.00 0.00 54.97 54.51 3i9v s GLU 635 Cb -0.12 -0.73 0.03 0.00 -1.78 0.00 0.00 34.13 31.53 3i9v s GLU 635 CO 0.22 0.15 1.26 0.20 -0.49 0.00 0.00 175.26 176.61 3i9v s GLY 636 N -0.06 2.59 0.65 -1.39 0.00 -1.26 -4.48 107.32 103.38 3i9v s GLY 636 Ca 0.01 1.08 0.35 0.00 0.00 0.00 0.00 44.72 46.16 3i9v s GLY 636 CO -0.00 1.51 2.11 0.00 0.00 0.00 0.00 173.10 176.72 3i9v h ALA 637 N -0.04 1.32 -0.51 3.20 0.00 -1.95 0.12 119.26 121.40 3i9v h ALA 637 Ca -0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3i9v h ALA 637 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3i9v h ALA 637 CO 0.50 -0.22 0.16 1.25 0.00 0.00 0.00 179.25 180.93 3i9v h LEU 638 N 0.00 0.69 0.00 0.00 5.85 -1.92 0.14 115.31 120.07 3i9v h LEU 638 Ca 0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3i9v h LEU 638 Cb 0.42 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3i9v h LEU 638 CO -0.00 0.66 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.02 3i9v h GLN 639 N 0.74 0.00 -0.95 1.25 5.75 -1.03 -3.08 115.11 117.79 3i9v h GLN 639 Ca 0.17 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.84 3i9v h GLN 639 Cb 0.22 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.69 3i9v h GLN 639 CO -0.01 0.73 0.60 0.28 -2.65 0.00 0.00 178.83 177.78 3i9v h VAL 640 N -1.00 0.76 -0.26 2.39 2.07 -1.31 -0.33 116.25 118.56 3i9v h VAL 640 Ca -0.03 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3i9v h VAL 640 Cb 0.77 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3i9v h VAL 640 CO -0.02 0.12 -0.06 -0.07 0.02 0.00 0.00 177.57 177.57 3i9v h LEU 641 N 0.67 0.51 -1.68 2.57 3.38 -0.85 -2.13 115.31 117.77 3i9v h LEU 641 Ca 0.50 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3i9v h LEU 641 Cb 0.88 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3i9v h LEU 641 CO -0.26 0.75 0.02 0.00 0.09 0.00 0.00 178.44 179.04 3i9v h ALA 642 N 0.78 1.75 0.00 1.53 0.00 -1.14 -1.64 119.26 120.53 3i9v h ALA 642 Ca 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3i9v h ALA 642 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i9v h ALA 642 CO 0.02 0.20 -0.65 1.25 0.00 0.00 0.00 179.25 180.07 3i9v h LEU 643 N 0.22 0.00 -1.99 0.00 5.85 -0.90 -3.10 115.31 115.39 3i9v h LEU 643 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3i9v h LEU 643 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3i9v h LEU 643 CO -0.00 0.65 0.00 -0.11 -0.34 0.00 0.00 178.44 178.64 3i9v n LEU 644 N -3.38 3.02 -0.04 2.25 0.00 -0.82 -3.58 117.00 114.44 3i9v n LEU 644 Ca 0.01 -1.20 -0.10 0.00 0.00 0.00 0.00 56.01 54.72 3i9v n LEU 644 Cb 0.75 -0.14 -0.15 0.00 0.00 0.00 0.00 43.42 43.88 3i9v n LEU 644 CO 0.42 0.60 -0.74 0.00 0.00 0.00 0.00 177.39 177.67 3i9v n ALA 645 N 1.25 1.46 0.16 1.96 0.00 -0.67 -3.91 120.51 120.76 3i9v n ALA 645 Ca 0.17 -0.92 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 3i9v n ALA 645 Cb 0.56 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3i9v n ALA 645 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9v h GLU 646 N 0.00 -0.39 0.00 0.00 5.08 -1.63 -2.31 114.58 115.33 3i9v h GLU 646 Ca -0.38 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3i9v h GLU 646 Cb 2.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.42 3i9v h GLU 646 CO 0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 3i9v n ALA 647 N -2.42 1.65 -0.42 3.43 0.00 -1.23 -0.73 120.51 120.79 3i9v n ALA 647 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i9v n ALA 647 Cb 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3i9v n ALA 647 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9v n LEU 648 N -0.63 0.85 0.00 0.00 4.77 -1.04 -4.61 117.00 116.35 3i9v n LEU 648 Ca 0.01 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3i9v n LEU 648 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9v n LEU 648 CO 0.01 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3i9v n GLY 649 N -0.13 2.13 3.76 -0.72 0.00 0.09 -4.99 105.19 105.32 3i9v n GLY 649 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3i9v n GLY 649 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9v s VAL 650 N 0.00 2.14 -0.02 1.61 1.01 -1.23 -4.73 120.40 119.19 3i9v s VAL 650 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3i9v s VAL 650 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3i9v s VAL 650 CO 0.00 0.02 1.15 0.00 0.00 0.00 0.00 175.10 176.27 3i9v s ARG 651 N -0.83 4.41 0.76 2.72 1.04 -1.26 -3.80 118.95 122.00 3i9v s ARG 651 Ca 0.60 1.64 -0.13 0.00 -1.04 0.00 0.00 55.73 56.80 3i9v s ARG 651 Cb -0.47 -3.48 0.06 0.00 -2.04 0.00 0.00 34.95 29.02 3i9v s ARG 651 CO 0.50 -0.32 1.16 -1.25 -0.04 0.00 0.00 175.30 175.36 3i9v s PRO 652 N 1.67 2.01 0.00 3.89 0.04 -1.26 -4.95 135.00 136.40 3i9v s PRO 652 Ca 0.55 1.57 0.27 0.00 0.04 0.00 0.00 61.00 63.44 3i9v s PRO 652 Cb -0.25 -1.84 0.88 0.00 0.04 0.00 0.00 34.50 33.33 3i9v s PRO 652 CO 0.25 -1.89 1.65 -2.30 0.04 0.00 0.00 177.00 174.75 3i9v n PRO 653 N -3.12 0.47 -5.04 0.56 -0.02 -1.26 -4.87 135.00 121.73 3i9v n PRO 653 Ca 0.12 -0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 3i9v n PRO 653 Cb 0.51 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.33 3i9v n PRO 653 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i9v s PHE 654 N -2.68 2.60 0.00 6.00 0.40 -1.26 -4.93 117.98 118.11 3i9v s PHE 654 Ca 0.21 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 3i9v s PHE 654 Cb 0.19 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3i9v s PHE 654 CO 0.56 -0.46 0.00 0.54 0.70 0.00 0.00 175.22 176.55 3i9v n ARG 655 N 3.68 0.00 -4.46 0.44 1.74 -1.26 -4.74 116.66 112.05 3i9v n ARG 655 Ca -0.19 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.59 3i9v n ARG 655 Cb 0.53 -0.18 -0.06 0.00 -1.02 0.00 0.00 32.46 31.72 3i9v n ARG 655 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3i9v n LEU 656 N -2.39 0.00 -0.08 0.55 -0.00 -1.26 -4.55 117.00 109.27 3i9v n LEU 656 Ca 0.00 -2.94 -0.12 0.00 -0.00 0.00 0.00 56.01 52.95 3i9v n LEU 656 Cb 0.00 0.32 -0.05 0.00 -0.00 0.00 0.00 43.42 43.70 3i9v n LEU 656 CO 0.00 -0.42 0.71 -0.74 -0.00 0.00 0.00 177.39 176.94 3i9v h HIS 657 N 1.23 0.54 -0.32 1.47 -0.00 -1.98 -1.32 115.15 114.77 3i9v h HIS 657 Ca -0.39 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 59.93 3i9v h HIS 657 Cb 1.18 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 28.39 3i9v h HIS 657 CO 0.00 0.70 -0.12 1.25 -0.00 0.00 0.00 177.93 179.76 3i9v h LEU 658 N 0.22 -0.43 -0.21 0.26 6.46 -2.00 -1.10 115.31 118.50 3i9v h LEU 658 Ca 0.06 0.11 -0.22 0.00 -0.12 0.00 0.00 57.88 57.72 3i9v h LEU 658 Cb 0.53 0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.72 3i9v h LEU 658 CO 0.02 -0.16 -0.84 -0.33 -0.62 0.00 0.00 178.44 176.52 3i9v h GLU 659 N -0.06 0.57 -0.67 1.25 4.39 -1.98 -2.90 114.58 115.18 3i9v h GLU 659 Ca 0.16 -0.52 0.09 0.00 0.34 0.00 0.00 59.36 59.43 3i9v h GLU 659 Cb 0.31 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 3i9v h GLU 659 CO -0.37 1.14 0.44 0.00 -1.16 0.00 0.00 179.01 179.07 3i9v h ALA 660 N 0.69 1.87 -0.54 3.43 0.00 -0.89 -2.17 119.26 121.65 3i9v h ALA 660 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i9v h ALA 660 Cb 1.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3i9v h ALA 660 CO 0.16 -0.01 0.37 1.96 0.00 0.00 0.00 179.25 181.73 3i9v h GLN 661 N 0.57 0.31 -0.35 0.00 1.08 -0.99 -1.46 115.11 114.28 3i9v h GLN 661 Ca 0.30 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.37 3i9v h GLN 661 Cb 0.44 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3i9v h GLN 661 CO -0.10 0.21 -0.27 0.87 -0.95 0.00 0.00 178.83 178.59 3i9v h LYS 662 N 0.32 0.73 -0.52 1.46 1.57 -1.50 -2.32 116.57 116.30 3i9v h LYS 662 Ca 0.25 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3i9v h LYS 662 Cb 0.56 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3i9v h LYS 662 CO -0.06 0.91 0.05 0.00 -0.57 0.00 0.00 179.45 179.79 3i9v h ALA 663 N 1.07 0.70 -0.24 3.86 0.00 -1.35 -0.37 119.26 122.93 3i9v h ALA 663 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3i9v h ALA 663 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i9v h ALA 663 CO 0.06 0.46 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 3i9v h LEU 664 N 0.76 0.44 -1.85 0.00 3.38 -1.55 -2.45 115.31 114.05 3i9v h LEU 664 Ca 0.16 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i9v h LEU 664 Cb 0.45 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i9v h LEU 664 CO 0.02 0.67 0.00 0.50 0.09 0.00 0.00 178.44 179.71 3i9v h LYS 665 N 0.21 0.00 0.09 1.13 3.64 -1.31 -1.80 116.57 118.53 3i9v h LYS 665 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i9v h LYS 665 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3i9v h LYS 665 CO 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.15 3i9v h ALA 666 N 2.04 -0.13 0.00 5.00 0.00 -0.67 -3.12 119.26 122.40 3i9v h ALA 666 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i9v h ALA 666 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i9v h ALA 666 CO 0.00 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.60 3i9v n ARG 667 N -4.83 0.03 -2.22 0.00 1.74 -0.84 -4.86 116.66 105.69 3i9v n ARG 667 Ca -0.07 0.52 -0.05 0.00 -0.77 0.00 0.00 57.85 57.48 3i9v n ARG 667 Cb 0.28 -1.59 0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3i9v n ARG 667 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9v n LYS 668 N -1.66 -1.28 -3.51 5.56 5.02 -0.74 -5.04 118.16 116.51 3i9v n LYS 668 Ca -0.00 0.27 -0.37 0.00 -2.02 0.00 0.00 58.31 56.19 3i9v n LYS 668 Cb 0.01 -3.16 -0.08 0.00 -0.02 0.00 0.00 35.03 31.78 3i9v n LYS 668 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9v s VAL 669 N -3.12 5.27 0.77 -0.18 0.11 -1.15 -5.04 120.40 117.07 3i9v s VAL 669 Ca 0.09 0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 59.46 3i9v s VAL 669 Cb -0.01 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 3i9v s VAL 669 CO 0.23 0.30 0.57 -0.81 -3.33 0.00 0.00 175.10 172.06 3i9v n PRO 670 N 4.33 0.19 -0.19 1.54 -0.04 -1.26 -4.72 135.00 134.85 3i9v n PRO 670 Ca -0.11 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 3i9v n PRO 670 Cb 0.51 -1.90 0.20 0.00 -0.04 0.00 0.00 33.50 32.28 3i9v n PRO 670 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i9v n GLU 671 N -1.14 -3.89 -1.68 0.54 -0.58 -1.26 -4.79 120.64 107.84 3i9v n GLU 671 Ca 0.10 -1.01 -0.41 0.00 -0.42 0.00 0.00 57.16 55.42 3i9v n GLU 671 Cb 0.51 -1.28 0.01 0.00 -0.57 0.00 0.00 31.44 30.10 3i9v n GLU 671 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9v n ALA 672 N -4.90 1.05 0.00 0.62 0.00 -1.26 -2.53 120.51 113.49 3i9v n ALA 672 Ca -0.13 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i9v n ALA 672 Cb 0.41 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3i9v n ALA 672 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i9v n MET 673 N 0.16 0.00 -2.59 0.00 2.81 -0.37 -5.00 117.12 112.13 3i9v n MET 673 Ca 0.07 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.63 3i9v n MET 673 Cb 0.39 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 3i9v n MET 673 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3i9v s GLY 674 N -1.18 2.19 -0.10 3.03 0.00 -1.05 -4.69 107.32 105.51 3i9v s GLY 674 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.89 3i9v s GLY 674 CO 0.00 0.53 0.19 0.50 0.00 0.00 0.00 173.10 174.32 3i9v s ARG 675 N -3.70 3.54 -0.31 2.90 0.52 -1.26 -2.06 118.95 118.58 3i9v s ARG 675 Ca 0.60 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 3i9v s ARG 675 Cb -0.10 -3.20 0.05 0.00 0.52 0.00 0.00 34.95 32.23 3i9v s ARG 675 CO 0.24 0.76 0.04 -1.17 0.02 0.00 0.00 175.30 175.18 3i9v s LEU 676 N -1.03 4.06 -0.02 2.53 1.98 -0.76 -4.81 118.68 120.63 3i9v s LEU 676 Ca 0.17 -1.27 -0.27 0.00 -2.89 0.00 0.00 54.13 49.87 3i9v s LEU 676 Cb -0.13 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.93 3i9v s LEU 676 CO 0.06 -0.29 0.84 -0.94 -1.89 0.00 0.00 176.35 174.13 3i9v s SER 677 N 1.32 7.20 -0.29 3.68 1.04 -1.26 -4.93 113.70 120.46 3i9v s SER 677 Ca -0.04 1.45 0.01 0.00 0.48 0.00 0.00 55.95 57.85 3i9v s SER 677 Cb -0.20 -2.50 0.20 0.00 0.10 0.00 0.00 66.02 63.62 3i9v s SER 677 CO -0.00 -0.17 0.73 0.12 0.98 0.00 0.00 173.24 174.90 3i9v s PHE 678 N 0.82 -1.43 0.57 5.02 5.36 -1.26 -5.17 117.98 121.88 3i9v s PHE 678 Ca 0.45 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3i9v s PHE 678 Cb -0.20 0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.77 3i9v s PHE 678 CO 0.23 -0.84 0.80 1.03 -1.46 0.00 0.00 175.22 174.99 3i9v s ARG 679 N 2.87 2.49 -0.30 10.12 0.52 -1.26 -4.82 118.95 128.57 3i9v s ARG 679 Ca 0.16 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.53 3i9v s ARG 679 Cb -0.08 -2.45 0.18 0.00 0.52 0.00 0.00 34.95 33.12 3i9v s ARG 679 CO -0.25 -0.78 0.93 -1.17 0.02 0.00 0.00 175.30 174.04 3i9v s LEU 680 N -4.82 -0.71 -0.38 2.53 0.20 -1.11 -4.97 118.68 109.43 3i9v s LEU 680 Ca 0.58 0.50 -0.06 0.00 0.69 0.00 0.00 54.13 55.84 3i9v s LEU 680 Cb -0.10 1.62 0.07 0.00 -0.43 0.00 0.00 46.19 47.35 3i9v s LEU 680 CO 0.39 -0.13 0.17 -0.54 -0.29 0.00 0.00 176.35 175.94 3i9v s LYS 681 N 2.87 2.48 0.00 1.98 1.02 -1.26 -3.80 119.74 123.03 3i9v s LYS 681 Ca 0.04 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3i9v s LYS 681 Cb -0.11 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 3i9v s LYS 681 CO -0.14 -0.84 0.00 -0.85 -0.92 0.00 0.00 175.35 172.60 3i9v n GLU 682 N 4.79 0.00 -3.69 1.68 0.28 -1.26 -5.18 120.64 117.26 3i9v n GLU 682 Ca -0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.80 3i9v n GLU 682 Cb 0.43 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.20 3i9v n GLU 682 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3i9v s LEU 683 N 0.00 -0.15 -0.47 -1.84 2.34 -1.26 -4.59 118.68 112.71 3i9v s LEU 683 Ca 0.00 0.90 -0.12 0.00 0.06 0.00 0.00 54.13 54.97 3i9v s LEU 683 Cb 0.00 1.34 0.10 0.00 -0.56 0.00 0.00 46.19 47.07 3i9v s LEU 683 CO 0.00 -0.20 0.36 0.00 -1.06 0.00 0.00 176.35 175.45 3i9v s ARG 684 N 1.54 2.72 0.85 1.48 1.70 -1.23 -5.06 118.95 120.95 3i9v s ARG 684 Ca -0.09 -1.56 -0.12 0.00 -0.47 0.00 0.00 55.73 53.49 3i9v s ARG 684 Cb -0.09 -3.99 0.10 0.00 -0.57 0.00 0.00 34.95 30.40 3i9v s ARG 684 CO -0.13 -1.10 1.14 -1.25 -1.08 0.00 0.00 175.30 172.88 3i9v s PRO 685 N 1.49 1.67 -0.02 3.89 0.04 -1.26 -4.65 135.00 136.16 3i9v s PRO 685 Ca 0.04 0.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 3i9v s PRO 685 Cb -0.25 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.45 3i9v s PRO 685 CO 0.02 -1.84 0.60 0.21 0.04 0.00 0.00 177.00 176.03 3i9v s LYS 686 N -5.34 1.01 0.64 4.56 2.20 -1.26 -5.09 119.74 116.47 3i9v s LYS 686 Ca 0.62 0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 56.21 3i9v s LYS 686 Cb -0.13 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 3i9v s LYS 686 CO 0.52 -0.33 1.04 -1.83 -0.36 0.00 0.00 175.35 174.39 3i9v s GLU 687 N -1.53 3.27 -0.25 4.03 -1.05 -1.26 -4.92 118.70 116.99 3i9v s GLU 687 Ca -0.10 0.56 0.02 0.00 -0.15 0.00 0.00 54.97 55.31 3i9v s GLU 687 Cb -0.01 -2.08 0.06 0.00 -0.44 0.00 0.00 34.13 31.66 3i9v s GLU 687 CO 0.06 -0.74 -0.09 1.03 0.95 0.00 0.00 175.26 176.48 3i9v s ARG 688 N -5.22 1.98 -1.22 -4.83 1.81 -1.26 -5.02 118.95 105.19 3i9v s ARG 688 Ca 0.56 -1.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.24 3i9v s ARG 688 Cb -0.11 -2.76 -0.06 0.00 -0.45 0.00 0.00 34.95 31.57 3i9v s ARG 688 CO 0.52 -0.58 2.31 0.36 -0.68 0.00 0.00 175.30 177.23 3i9v n LYS 689 N 4.53 2.58 -1.77 3.54 2.85 -1.26 -4.93 118.16 123.71 3i9v n LYS 689 Ca -0.13 -2.09 -0.20 0.00 -1.05 0.00 0.00 58.31 54.84 3i9v n LYS 689 Cb 0.43 -2.91 -0.06 0.00 -0.65 0.00 0.00 35.03 31.84 3i9v n LYS 689 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3i9v s GLY 690 N 3.42 -0.39 0.03 2.58 0.00 -1.26 -3.34 107.32 108.36 3i9v s GLY 690 Ca 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3i9v s GLY 690 CO -0.02 3.92 0.00 0.00 0.00 0.00 0.00 173.10 176.99 3i9v n ALA 691 N 16.59 3.00 -2.75 3.20 0.00 -1.21 -4.99 120.51 134.35 3i9v n ALA 691 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 3i9v n ALA 691 Cb 0.45 0.37 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 3i9v n ALA 691 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i9v s PHE 692 N -2.00 3.06 -0.08 0.00 0.40 -0.21 -3.13 117.98 116.01 3i9v s PHE 692 Ca 0.00 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 3i9v s PHE 692 Cb 0.00 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.03 3i9v s PHE 692 CO 0.00 0.51 -0.20 -0.47 0.70 0.00 0.00 175.22 175.76 3i9v s TYR 693 N -1.63 2.17 -1.07 0.36 5.04 -0.11 -2.12 117.35 119.99 3i9v s TYR 693 Ca 0.29 -0.82 -0.18 0.00 -2.44 0.00 0.00 57.07 53.93 3i9v s TYR 693 Cb -0.10 -1.47 0.13 0.00 0.35 0.00 0.00 41.96 40.86 3i9v s TYR 693 CO 0.21 -0.33 1.34 -0.51 -1.34 0.00 0.00 175.55 174.92 3i9v s LEU 694 N 0.32 4.69 -0.02 6.97 1.43 -0.24 0.95 118.68 132.79 3i9v s LEU 694 Ca -0.14 -2.31 -0.31 0.00 -1.03 0.00 0.00 54.13 50.34 3i9v s LEU 694 Cb -0.16 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 3i9v s LEU 694 CO 0.06 -1.04 1.98 -1.14 0.23 0.00 0.00 176.35 176.44 3i9v n ARG 695 N 6.80 2.61 -1.78 1.70 0.63 0.31 -0.41 116.66 126.52 3i9v n ARG 695 Ca 0.32 0.94 -0.42 0.00 -0.92 0.00 0.00 57.85 57.77 3i9v n ARG 695 Cb 0.47 -2.93 -0.03 0.00 0.45 0.00 0.00 32.46 30.42 3i9v n ARG 695 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3i9v s PRO 696 N 4.54 4.15 0.29 -0.14 0.04 -1.26 0.78 135.00 143.41 3i9v s PRO 696 Ca 0.91 2.54 0.09 0.00 0.04 0.00 0.00 61.00 64.58 3i9v s PRO 696 Cb -0.50 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 3i9v s PRO 696 CO 0.44 -0.73 -0.12 0.95 0.04 0.00 0.00 177.00 177.59 3i9v s THR 697 N 1.39 2.08 -0.06 1.26 -4.23 -1.25 -4.74 115.64 110.10 3i9v s THR 697 Ca 0.74 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3i9v s THR 697 Cb -0.48 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 3i9v s THR 697 CO 0.32 -0.33 0.34 -0.03 -0.54 0.00 0.00 174.62 174.38 3i9v h MET 698 N 2.22 -0.26 -6.70 3.99 4.05 -1.85 -3.43 114.93 112.95 3i9v h MET 698 Ca -0.40 0.02 -0.55 0.00 -0.28 0.00 0.00 59.70 58.48 3i9v h MET 698 Cb 1.24 0.06 0.08 0.00 -0.80 0.00 0.00 31.60 32.19 3i9v h MET 698 CO 0.66 -0.17 0.77 0.91 0.23 0.00 0.00 176.91 179.30 3i9v n TRP 699 N -4.62 2.55 -3.48 1.39 7.02 -1.26 -4.96 117.44 114.08 3i9v n TRP 699 Ca -0.03 0.33 -0.31 0.00 -1.02 0.00 0.00 57.50 56.46 3i9v n TRP 699 Cb 0.11 -2.54 -0.05 0.00 -2.42 0.00 0.00 31.31 26.41 3i9v n TRP 699 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3i9v s LYS 700 N -0.41 3.70 0.38 -0.99 3.01 -1.26 -4.68 119.74 119.48 3i9v s LYS 700 Ca 0.66 0.08 0.15 0.00 -1.01 0.00 0.00 55.97 55.86 3i9v s LYS 700 Cb -0.56 -2.71 0.75 0.00 -1.01 0.00 0.00 37.83 34.30 3i9v s LYS 700 CO 0.48 0.34 1.81 0.00 0.51 0.00 0.00 175.35 178.49 3i9v h ALA 701 N 2.39 1.25 -0.14 5.17 0.00 0.15 -1.93 119.26 126.15 3i9v h ALA 701 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3i9v h ALA 701 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i9v h ALA 701 CO 0.69 0.47 0.00 -2.39 0.00 0.00 0.00 179.25 178.02 3i9v n HIS 702 N -3.91 0.48 0.61 0.00 1.44 -1.26 -3.21 115.22 109.37 3i9v n HIS 702 Ca -0.01 -0.17 0.07 0.00 -2.01 0.00 0.00 57.72 55.60 3i9v n HIS 702 Cb 0.43 -0.18 0.04 0.00 0.12 0.00 0.00 29.99 30.41 3i9v n HIS 702 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3i9v n GLN 703 N 0.14 1.27 -0.26 -1.40 6.02 -0.72 -4.71 117.38 117.71 3i9v n GLN 703 Ca 0.07 -1.19 -0.01 0.00 -0.01 0.00 0.00 57.00 55.86 3i9v n GLN 703 Cb 0.44 -1.26 -0.01 0.00 1.02 0.00 0.00 30.24 30.43 3i9v n GLN 703 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9v n ALA 704 N 0.53 2.75 -2.84 -1.58 0.00 -1.20 -4.30 120.51 113.88 3i9v n ALA 704 Ca 0.08 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3i9v n ALA 704 Cb 0.35 -1.67 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 3i9v n ALA 704 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i9v s VAL 705 N 1.26 4.00 0.00 0.00 1.01 -1.26 -4.25 120.40 121.16 3i9v s VAL 705 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3i9v s VAL 705 Cb 0.02 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3i9v s VAL 705 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3i9v n GLY 706 N 3.09 1.47 0.13 4.51 0.00 -1.26 -2.48 105.19 110.64 3i9v n GLY 706 Ca -0.18 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3i9v n GLY 706 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9v n LYS 707 N 0.00 0.68 0.00 1.61 4.76 -1.26 -3.83 118.16 120.13 3i9v n LYS 707 Ca 0.00 0.18 0.05 0.00 -2.87 0.00 0.00 58.31 55.68 3i9v n LYS 707 Cb 0.00 -1.58 0.31 0.00 -1.84 0.00 0.00 35.03 31.92 3i9v n LYS 707 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i9v n ALA 708 N -3.17 2.07 0.16 7.82 0.00 -1.04 -3.58 120.51 122.77 3i9v n ALA 708 Ca -0.41 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 3i9v n ALA 708 Cb 1.01 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 3i9v n ALA 708 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i9v h GLN 709 N 0.00 -0.58 0.00 0.00 4.15 -1.65 -1.57 115.11 115.46 3i9v h GLN 709 Ca 0.00 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 3i9v h GLN 709 Cb 0.00 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3i9v h GLN 709 CO 0.00 -0.39 -0.64 0.93 -1.93 0.00 0.00 178.83 176.80 3i9v h GLU 710 N -0.60 0.00 0.00 1.69 4.39 -1.84 -3.27 114.58 114.94 3i9v h GLU 710 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i9v h GLU 710 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3i9v h GLU 710 CO -0.11 0.64 -0.42 0.00 -1.16 0.00 0.00 179.01 177.95 3i9v h ALA 711 N 1.36 0.75 -0.22 3.43 0.00 -1.72 -3.25 119.26 119.61 3i9v h ALA 711 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i9v h ALA 711 Cb 1.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3i9v h ALA 711 CO 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 3i9v n ALA 712 N -1.93 2.95 -1.29 0.00 0.00 -0.60 -4.89 120.51 114.75 3i9v n ALA 712 Ca 0.03 -2.41 -0.31 0.00 0.00 0.00 0.00 53.44 50.75 3i9v n ALA 712 Cb 0.47 -0.66 0.09 0.00 0.00 0.00 0.00 19.45 19.35 3i9v n ALA 712 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i9v s ARG 713 N -2.86 2.32 0.55 0.00 3.52 -1.23 -4.55 118.95 116.70 3i9v s ARG 713 Ca 0.41 1.19 -0.05 0.00 -0.13 0.00 0.00 55.73 57.16 3i9v s ARG 713 Cb 0.34 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 3i9v s ARG 713 CO 0.07 -1.59 0.85 0.00 -0.81 0.00 0.00 175.30 173.81 3i9v s ALA 714 N -2.84 3.40 0.03 6.12 0.00 -1.26 -5.03 121.76 122.19 3i9v s ALA 714 Ca 0.62 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3i9v s ALA 714 Cb -0.18 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3i9v s ALA 714 CO 0.54 -0.68 -0.02 -1.83 0.00 0.00 0.00 175.76 173.77 3i9v s GLU 715 N -4.88 0.43 -0.18 0.00 4.04 -1.26 -2.51 118.70 114.33 3i9v s GLU 715 Ca 0.52 -0.80 -0.00 0.00 0.04 0.00 0.00 54.97 54.72 3i9v s GLU 715 Cb -0.10 0.15 0.05 0.00 0.02 0.00 0.00 34.13 34.24 3i9v s GLU 715 CO 0.44 -0.08 -0.05 -1.17 -1.84 0.00 0.00 175.26 172.56 3i9v s LEU 716 N -1.96 1.78 -0.15 1.83 0.20 0.56 -1.51 118.68 119.44 3i9v s LEU 716 Ca -0.08 -0.76 -0.02 0.00 0.69 0.00 0.00 54.13 53.95 3i9v s LEU 716 Cb -0.04 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.74 3i9v s LEU 716 CO -0.04 -0.19 -0.07 0.26 -0.29 0.00 0.00 176.35 176.01 3i9v s TRP 717 N 1.59 2.94 -0.01 5.38 0.51 0.76 -0.44 118.94 129.68 3i9v s TRP 717 Ca -0.00 -0.48 -0.15 0.00 -2.12 0.00 0.00 56.10 53.35 3i9v s TRP 717 Cb -0.16 -1.93 0.02 0.00 -0.81 0.00 0.00 33.47 30.60 3i9v s TRP 717 CO -0.08 -0.14 0.31 0.00 -0.51 0.00 0.00 176.95 176.53 3i9v s ALA 718 N 0.44 -0.76 0.22 0.98 0.00 -1.05 -1.11 121.76 120.48 3i9v s ALA 718 Ca -0.06 0.27 -0.32 0.00 0.00 0.00 0.00 51.96 51.85 3i9v s ALA 718 Cb -0.15 0.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.96 3i9v s ALA 718 CO 0.04 -0.28 1.66 1.58 0.00 0.00 0.00 175.76 178.75 3i9v n HIS 719 N 1.17 2.67 -0.33 0.00 -0.00 -1.24 -2.39 115.22 115.10 3i9v n HIS 719 Ca -0.21 0.14 0.36 0.00 0.46 0.00 0.00 57.72 58.47 3i9v n HIS 719 Cb 0.56 -2.63 0.68 0.00 -0.12 0.00 0.00 29.99 28.48 3i9v n HIS 719 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i9v h PRO 720 N 6.07 0.00 0.09 1.57 0.11 -1.93 0.51 132.00 138.42 3i9v h PRO 720 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i9v h PRO 720 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i9v h PRO 720 CO 0.90 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.58 3i9v h GLU 721 N 0.00 -0.12 -0.83 1.05 5.08 -1.98 -3.01 114.58 114.78 3i9v h GLU 721 Ca 0.59 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.11 3i9v h GLU 721 Cb 2.70 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.92 3i9v h GLU 721 CO -0.01 -0.08 0.54 1.79 -1.00 0.00 0.00 179.01 180.26 3i9v h THR 722 N -0.34 0.79 0.14 1.13 1.35 -1.55 0.28 112.91 114.70 3i9v h THR 722 Ca -0.01 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3i9v h THR 722 Cb 0.09 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.72 3i9v h THR 722 CO 0.02 0.09 -0.39 0.00 -0.25 0.00 0.00 175.52 174.99 3i9v h ALA 723 N 1.62 -0.91 0.00 6.62 0.00 -0.17 -1.74 119.26 124.68 3i9v h ALA 723 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i9v h ALA 723 Cb 0.87 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i9v h ALA 723 CO -0.16 -1.00 0.00 -2.13 0.00 0.00 0.00 179.25 175.96 3i9v n ARG 724 N -4.68 0.14 0.05 0.00 0.63 -0.63 -2.37 116.66 109.80 3i9v n ARG 724 Ca -0.07 0.24 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 3i9v n ARG 724 Cb 0.31 -1.70 0.11 0.00 0.45 0.00 0.00 32.46 31.63 3i9v n ARG 724 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9v h ALA 725 N 2.54 0.84 -0.90 5.13 0.00 0.11 -3.07 119.26 123.92 3i9v h ALA 725 Ca 0.00 -0.50 -0.44 0.00 0.00 0.00 0.00 54.91 53.97 3i9v h ALA 725 Cb 0.48 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 17.92 3i9v h ALA 725 CO 0.00 0.68 0.53 -1.91 0.00 0.00 0.00 179.25 178.55 3i9v n GLU 726 N -3.94 2.46 -3.28 0.00 2.13 -0.71 -4.96 120.64 112.34 3i9v n GLU 726 Ca -0.02 -3.04 -0.15 0.00 0.66 0.00 0.00 57.16 54.61 3i9v n GLU 726 Cb 0.58 -2.15 0.06 0.00 0.27 0.00 0.00 31.44 30.19 3i9v n GLU 726 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i9v n ALA 727 N -0.98 -2.50 -3.53 4.31 0.00 -1.16 -5.02 120.51 111.63 3i9v n ALA 727 Ca 0.54 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.76 3i9v n ALA 727 Cb 1.57 -4.96 -0.12 0.00 0.00 0.00 0.00 19.45 15.94 3i9v n ALA 727 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i9v s LEU 728 N -5.32 1.40 0.75 0.00 1.43 -1.14 -5.03 118.68 110.77 3i9v s LEU 728 Ca 0.39 -2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 51.05 3i9v s LEU 728 Cb -0.06 -0.56 0.01 0.00 0.03 0.00 0.00 46.19 45.61 3i9v s LEU 728 CO 0.76 -0.30 0.90 -2.65 0.23 0.00 0.00 176.35 175.29 3i9v n PRO 729 N 3.93 0.38 0.20 1.29 -0.02 -1.26 -4.32 135.00 135.19 3i9v n PRO 729 Ca 0.11 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 3i9v n PRO 729 Cb 0.36 -2.17 0.72 0.00 -0.02 0.00 0.00 33.50 32.39 3i9v n PRO 729 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3i9v h GLU 730 N -0.44 0.00 -0.89 -0.52 4.81 -1.98 -3.28 114.58 112.27 3i9v h GLU 730 Ca -0.47 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.41 3i9v h GLU 730 Cb 1.33 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.46 3i9v h GLU 730 CO 0.45 0.00 -0.74 0.41 -0.73 0.00 0.00 179.01 178.40 3i9v n GLY 731 N -1.25 1.12 3.10 1.92 0.00 -1.25 -4.41 105.19 104.42 3i9v n GLY 731 Ca -0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 3i9v n GLY 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v s ALA 732 N -0.01 0.84 -0.97 4.61 0.00 -1.24 -4.98 121.76 120.02 3i9v s ALA 732 Ca 0.33 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 3i9v s ALA 732 Cb 0.19 -0.05 0.20 0.00 0.00 0.00 0.00 23.12 23.46 3i9v s ALA 732 CO -0.18 0.08 1.04 -0.65 0.00 0.00 0.00 175.76 176.05 3i9v s GLN 733 N -1.46 3.80 0.14 0.00 -1.52 -1.26 -3.11 119.66 116.25 3i9v s GLN 733 Ca -0.05 -2.44 -0.25 0.00 -1.95 0.00 0.00 55.36 50.67 3i9v s GLN 733 Cb -0.09 -4.69 -0.07 0.00 -0.22 0.00 0.00 33.01 27.94 3i9v s GLN 733 CO 0.01 -1.49 0.76 0.08 -0.25 0.00 0.00 175.29 174.41 3i9v s VAL 734 N 0.78 4.45 0.03 1.09 1.01 -0.85 -4.79 120.40 122.12 3i9v s VAL 734 Ca 0.28 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.77 3i9v s VAL 734 Cb -0.07 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 3i9v s VAL 734 CO -0.08 0.50 0.47 0.00 0.00 0.00 0.00 175.10 175.99 3i9v s ALA 735 N -0.97 3.66 0.00 5.51 0.00 -1.26 -0.00 121.76 128.70 3i9v s ALA 735 Ca 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3i9v s ALA 735 Cb -0.22 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 3i9v s ALA 735 CO 0.25 0.46 -0.02 0.08 0.00 0.00 0.00 175.76 176.53 3i9v s VAL 736 N -1.12 0.16 -0.10 0.00 1.01 -0.70 -3.21 120.40 116.43 3i9v s VAL 736 Ca 0.26 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3i9v s VAL 736 Cb -0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 3i9v s VAL 736 CO 0.16 -0.05 -0.21 -0.70 0.00 0.00 0.00 175.10 174.29 3i9v s GLU 737 N -0.30 3.07 0.24 2.72 2.12 -0.81 -1.41 118.70 124.32 3i9v s GLU 737 Ca -0.02 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.50 3i9v s GLU 737 Cb -0.02 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.95 3i9v s GLU 737 CO -0.00 0.22 0.05 0.99 -0.54 0.00 0.00 175.26 175.97 3i9v s THR 738 N 0.27 0.76 0.66 -1.70 2.01 -1.06 -2.59 115.64 114.00 3i9v s THR 738 Ca -0.15 -2.00 0.22 0.00 0.31 0.00 0.00 61.69 60.07 3i9v s THR 738 Cb -0.17 -2.46 0.23 0.00 0.01 0.00 0.00 72.50 70.11 3i9v s THR 738 CO 0.08 -0.19 1.67 -0.65 -0.69 0.00 0.00 174.62 174.84 3i9v h PRO 739 N 2.45 0.00 -0.02 4.92 0.11 -1.98 -0.24 132.00 137.25 3i9v h PRO 739 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3i9v h PRO 739 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i9v h PRO 739 CO 0.63 0.00 -0.35 1.19 -0.21 0.00 0.00 178.00 179.26 3i9v n PHE 740 N -2.83 0.00 0.00 0.65 3.72 -1.26 -4.04 117.46 113.70 3i9v n PHE 740 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3i9v n PHE 740 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3i9v n PHE 740 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9v n GLY 741 N 1.34 3.24 3.62 1.37 0.00 -0.10 -4.84 105.19 109.82 3i9v n GLY 741 Ca 0.10 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3i9v n GLY 741 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9v s ARG 742 N -2.30 4.05 -0.06 1.61 3.52 -1.26 -2.56 118.95 121.96 3i9v s ARG 742 Ca 0.00 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 3i9v s ARG 742 Cb 0.00 -3.69 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3i9v s ARG 742 CO 0.00 -0.55 -0.09 0.08 -0.81 0.00 0.00 175.30 173.93 3i9v s VAL 743 N 2.75 0.86 0.65 7.11 1.01 -0.50 -4.96 120.40 127.32 3i9v s VAL 743 Ca 0.30 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3i9v s VAL 743 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3i9v s VAL 743 CO 0.10 0.30 1.05 -1.83 0.00 0.00 0.00 175.10 174.72 3i9v s GLU 744 N 0.78 3.17 -0.28 2.72 1.03 -1.26 -1.73 118.70 123.13 3i9v s GLU 744 Ca -0.13 1.00 -0.23 0.00 0.03 0.00 0.00 54.97 55.64 3i9v s GLU 744 Cb -0.15 -2.02 0.09 0.00 -0.80 0.00 0.00 34.13 31.25 3i9v s GLU 744 CO 0.02 -0.92 0.79 0.00 -1.33 0.00 0.00 175.26 173.83 3i9v s ALA 745 N -2.88 -1.87 0.40 -0.84 0.00 0.99 -4.45 121.76 113.11 3i9v s ALA 745 Ca 0.59 2.09 -0.25 0.00 0.00 0.00 0.00 51.96 54.39 3i9v s ALA 745 Cb -0.14 -1.31 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 3i9v s ALA 745 CO 0.49 -0.33 1.14 -0.98 0.00 0.00 0.00 175.76 176.08 3i9v s ARG 746 N 0.66 4.09 -0.15 0.00 1.70 -1.04 -2.02 118.95 122.19 3i9v s ARG 746 Ca -0.02 1.76 -0.02 0.00 -0.47 0.00 0.00 55.73 56.98 3i9v s ARG 746 Cb -0.05 -2.66 -0.02 0.00 -0.57 0.00 0.00 34.95 31.65 3i9v s ARG 746 CO -0.06 -0.27 -0.07 0.54 -1.08 0.00 0.00 175.30 174.36 3i9v s VAL 747 N -1.46 3.51 -0.02 4.99 0.11 -1.18 -0.32 120.40 126.02 3i9v s VAL 747 Ca 0.57 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 59.19 3i9v s VAL 747 Cb -0.29 -2.52 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 3i9v s VAL 747 CO 0.36 0.50 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.72 3i9v s VAL 748 N 0.47 1.74 -0.09 2.04 1.01 0.42 -3.85 120.40 122.13 3i9v s VAL 748 Ca -0.06 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 3i9v s VAL 748 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3i9v s VAL 748 CO 0.04 0.49 0.68 -1.00 0.00 0.00 0.00 175.10 175.31 3i9v s HIS 749 N -0.41 3.54 -0.15 5.22 3.76 -1.26 -2.54 115.29 123.45 3i9v s HIS 749 Ca 0.06 1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 56.11 3i9v s HIS 749 Cb -0.09 -2.80 0.06 0.00 1.11 0.00 0.00 32.58 30.86 3i9v s HIS 749 CO 0.00 0.05 0.13 1.03 -0.85 0.00 0.00 174.74 175.10 3i9v s ARG 750 N 0.98 0.07 0.00 1.40 0.52 -1.01 -4.95 118.95 115.97 3i9v s ARG 750 Ca 0.36 0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.79 3i9v s ARG 750 Cb -0.17 -1.21 0.28 0.00 0.52 0.00 0.00 34.95 34.36 3i9v s ARG 750 CO 0.16 -0.56 0.90 0.39 0.02 0.00 0.00 175.30 176.22 3i9v n GLU 751 N 5.30 0.11 0.00 3.54 1.02 -1.26 -1.38 120.64 127.97 3i9v n GLU 751 Ca -0.06 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.31 3i9v n GLU 751 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 3i9v n GLU 751 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i9v n ASP 752 N -1.16 1.10 -4.69 1.62 5.75 -1.26 -4.91 116.55 113.00 3i9v n ASP 752 Ca 0.03 -1.05 -0.42 0.00 -0.01 0.00 0.00 54.79 53.34 3i9v n ASP 752 Cb 0.03 0.88 -0.03 0.00 -1.03 0.00 0.00 41.12 40.97 3i9v n ASP 752 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i9v s VAL 753 N -2.61 4.45 0.22 2.12 1.01 -0.48 -4.61 120.40 120.50 3i9v s VAL 753 Ca 0.09 1.75 -0.32 0.00 0.00 0.00 0.00 61.98 63.50 3i9v s VAL 753 Cb 0.14 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 3i9v s VAL 753 CO 0.69 0.00 1.35 -0.81 0.00 0.00 0.00 175.10 176.34 3i9v n PRO 754 N 5.12 1.84 -1.71 2.72 -0.04 -1.26 -3.99 135.00 137.68 3i9v n PRO 754 Ca 0.10 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.79 3i9v n PRO 754 Cb 0.47 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 3i9v n PRO 754 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i9v n LYS 755 N 1.98 2.22 -1.55 0.54 3.00 -1.26 -2.93 118.16 120.17 3i9v n LYS 755 Ca 0.12 0.78 -0.14 0.00 -0.00 0.00 0.00 58.31 59.08 3i9v n LYS 755 Cb 0.30 -2.40 -0.05 0.00 0.00 0.00 0.00 35.03 32.87 3i9v n LYS 755 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9v n GLY 756 N 1.00 1.18 3.41 3.14 0.00 -1.26 -5.01 105.19 107.65 3i9v n GLY 756 Ca 0.05 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 3i9v n GLY 756 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9v s HIS 757 N -2.55 2.01 -0.09 1.61 3.76 -1.15 -5.02 115.29 113.86 3i9v s HIS 757 Ca 0.00 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 3i9v s HIS 757 Cb 0.00 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.77 3i9v s HIS 757 CO 0.00 0.51 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.74 3i9v s LEU 758 N -3.42 1.73 -0.30 0.89 1.02 -1.18 -4.63 118.68 112.78 3i9v s LEU 758 Ca 0.27 -0.39 -0.18 0.00 0.02 0.00 0.00 54.13 53.85 3i9v s LEU 758 Cb -0.02 -1.02 -0.02 0.00 0.02 0.00 0.00 46.19 45.15 3i9v s LEU 758 CO 0.11 0.04 0.51 -0.31 0.02 0.00 0.00 176.35 176.72 3i9v s TYR 759 N 0.78 3.23 -0.11 0.29 4.12 -0.26 -0.94 117.35 124.45 3i9v s TYR 759 Ca -0.11 0.45 -0.05 0.00 0.02 0.00 0.00 57.07 57.38 3i9v s TYR 759 Cb -0.16 -2.81 -0.04 0.00 -1.52 0.00 0.00 41.96 37.44 3i9v s TYR 759 CO 0.02 -0.38 0.06 -1.17 0.02 0.00 0.00 175.55 174.09 3i9v s LEU 760 N 2.35 3.89 -0.51 -1.29 2.96 0.27 -0.17 118.68 126.18 3i9v s LEU 760 Ca 0.20 0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 54.09 3i9v s LEU 760 Cb -0.15 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3i9v s LEU 760 CO 0.11 0.35 2.25 -0.55 -1.32 0.00 0.00 176.35 177.19 3i9v s SER 761 N -0.70 4.72 -1.29 3.68 0.15 -0.57 0.11 113.70 119.80 3i9v s SER 761 Ca 0.12 0.93 -0.18 0.00 0.70 0.00 0.00 55.95 57.52 3i9v s SER 761 Cb -0.12 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.70 3i9v s SER 761 CO 0.02 -2.69 1.93 0.00 1.20 0.00 0.00 173.24 173.71 3i9v n ALA 762 N 14.81 3.93 1.05 5.45 0.00 0.23 -4.75 120.51 141.23 3i9v n ALA 762 Ca 0.32 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 50.05 3i9v n ALA 762 Cb 0.54 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.41 3i9v n ALA 762 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9v n LEU 763 N 8.35 0.61 0.00 0.00 4.77 -1.26 -3.88 117.00 125.59 3i9v n LEU 763 Ca 0.49 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3i9v n LEU 763 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i9v n LEU 763 CO 0.82 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3i9v n GLY 764 N 0.15 6.89 2.10 -0.72 0.00 -1.26 0.18 105.19 112.53 3i9v n GLY 764 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3i9v n GLY 764 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9v n PRO 765 N 0.00 3.23 -1.12 1.61 -0.04 -1.26 -4.19 135.00 133.23 3i9v n PRO 765 Ca 0.00 -3.05 -0.10 0.00 -0.04 0.00 0.00 63.50 60.31 3i9v n PRO 765 Cb 0.00 -2.21 0.15 0.00 -0.04 0.00 0.00 33.50 31.40 3i9v n PRO 765 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9v n ALA 766 N -0.49 4.53 -1.96 0.55 0.00 -1.26 -4.51 120.51 117.38 3i9v n ALA 766 Ca 0.48 -3.38 -0.31 0.00 0.00 0.00 0.00 53.44 50.23 3i9v n ALA 766 Cb 1.50 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 3i9v n ALA 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9v s ALA 767 N -3.39 3.17 -0.69 0.00 0.00 -1.26 -4.05 121.76 115.54 3i9v s ALA 767 Ca 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 3i9v s ALA 767 Cb 0.41 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3i9v s ALA 767 CO -0.01 -0.45 0.25 0.41 0.00 0.00 0.00 175.76 175.96 3i9v n GLY 768 N -2.22 0.14 3.37 0.00 0.00 0.45 -4.92 105.19 102.00 3i9v n GLY 768 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3i9v n GLY 768 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9v s LEU 769 N -3.17 2.26 -0.17 0.99 1.43 -1.26 -4.18 118.68 114.58 3i9v s LEU 769 Ca 0.12 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3i9v s LEU 769 Cb -0.05 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3i9v s LEU 769 CO 0.15 0.21 0.00 -0.13 0.23 0.00 0.00 176.35 176.81 3i9v s ARG 770 N -1.72 3.77 0.19 1.70 0.52 -1.26 -1.08 118.95 121.07 3i9v s ARG 770 Ca 0.13 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 3i9v s ARG 770 Cb -0.10 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3i9v s ARG 770 CO 0.04 0.22 0.38 0.08 0.02 0.00 0.00 175.30 176.04 3i9v s VAL 771 N 0.47 0.04 0.78 3.52 1.01 -0.90 -4.02 120.40 121.30 3i9v s VAL 771 Ca -0.01 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 3i9v s VAL 771 Cb -0.14 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.50 3i9v s VAL 771 CO 0.02 -0.19 1.09 -1.61 0.00 0.00 0.00 175.10 174.41 3i9v s GLU 772 N -3.96 1.63 0.00 2.72 0.41 -1.23 -1.05 118.70 117.23 3i9v s GLU 772 Ca 0.17 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 3i9v s GLU 772 Cb 0.02 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 3i9v s GLU 772 CO 0.01 -1.61 0.00 0.41 -0.49 0.00 0.00 175.26 173.58 3i9v n GLY 773 N -3.13 2.14 3.72 -1.39 0.00 -1.26 -4.28 105.19 101.00 3i9v n GLY 773 Ca 0.12 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3i9v n GLY 773 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i9v s ARG 774 N -1.75 2.01 -0.43 1.61 3.03 -1.07 -4.91 118.95 117.43 3i9v s ARG 774 Ca 0.00 -1.40 -0.18 0.00 2.03 0.00 0.00 55.73 56.17 3i9v s ARG 774 Cb 0.00 0.57 0.03 0.00 -1.03 0.00 0.00 34.95 34.51 3i9v s ARG 774 CO 0.00 -0.90 0.49 0.08 -1.13 0.00 0.00 175.30 173.84 3i9v s VAL 775 N -2.96 5.02 0.49 4.99 1.01 -1.26 -1.92 120.40 125.76 3i9v s VAL 775 Ca 0.19 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3i9v s VAL 775 Cb -0.04 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3i9v s VAL 775 CO 0.12 -0.50 1.13 -0.76 0.00 0.00 0.00 175.10 175.09 3i9v s LEU 776 N 2.30 3.91 0.00 3.92 1.43 -1.20 -5.05 118.68 124.00 3i9v s LEU 776 Ca 0.14 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 3i9v s LEU 776 Cb -0.17 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.65 3i9v s LEU 776 CO 0.14 -0.97 0.29 0.52 0.23 0.00 0.00 176.35 176.56