#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j39 s LYS 2 N 0.00 3.24 0.04 2.12 1.02 -1.26 -4.30 119.74 120.60 1j39 s LYS 2 Ca 0.00 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1j39 s LYS 2 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1j39 s LYS 2 CO 0.00 -0.12 -0.01 0.42 -0.92 0.00 0.00 175.35 174.72 1j39 s ILE 3 N 1.19 4.03 -0.00 2.17 1.01 0.17 -0.23 121.20 129.53 1j39 s ILE 3 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1j39 s ILE 3 Cb -0.14 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1j39 s ILE 3 CO -0.05 0.26 -0.11 0.00 0.00 0.00 0.00 174.94 175.05 1j39 s ALA 4 N -1.18 0.90 -0.07 9.38 0.00 -0.55 -1.28 121.76 128.96 1j39 s ALA 4 Ca 0.22 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1j39 s ALA 4 Cb -0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1j39 s ALA 4 CO 0.14 0.21 -0.22 0.42 0.00 0.00 0.00 175.76 176.31 1j39 s ILE 5 N -0.32 1.85 -0.02 0.00 1.01 0.28 -0.21 121.20 123.79 1j39 s ILE 5 Ca 0.04 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1j39 s ILE 5 Cb -0.05 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1j39 s ILE 5 CO -0.00 0.52 -0.05 -0.51 0.00 0.00 0.00 174.94 174.89 1j39 s ILE 6 N 0.15 0.51 -0.42 2.92 2.07 -0.34 -1.14 121.20 124.95 1j39 s ILE 6 Ca -0.11 -0.20 -0.22 0.00 -1.41 0.00 0.00 60.65 58.71 1j39 s ILE 6 Cb -0.15 -0.49 0.02 0.00 0.13 0.00 0.00 42.46 41.97 1j39 s ILE 6 CO 0.05 0.18 0.75 0.21 -1.91 0.00 0.00 174.94 174.22 1j39 s ASN 7 N 0.36 6.43 0.58 4.50 3.84 -1.26 -1.04 114.94 128.35 1j39 s ASN 7 Ca -0.04 -0.01 0.30 0.00 0.21 0.00 0.00 52.86 53.32 1j39 s ASN 7 Cb -0.08 -2.37 1.80 0.00 -0.55 0.00 0.00 41.25 40.04 1j39 s ASN 7 CO -0.00 -0.82 2.23 -0.03 -2.79 0.00 0.00 177.10 175.69 1j39 h MET 8 N 8.80 0.00 0.00 0.43 1.85 0.18 -3.32 114.93 122.87 1j39 h MET 8 Ca -0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1j39 h MET 8 Cb 1.09 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.12 1j39 h MET 8 CO 0.93 0.02 0.00 0.41 -0.40 0.00 0.00 176.91 177.87 1j39 n GLY 9 N -1.20 -0.18 2.92 1.39 0.00 0.34 -3.99 105.19 104.48 1j39 n GLY 9 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1j39 n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j39 s ASN 10 N -0.08 0.35 0.58 1.61 -0.87 -1.25 -4.60 114.94 110.68 1j39 s ASN 10 Ca 0.00 -0.08 -0.20 0.00 -1.57 0.00 0.00 52.86 51.01 1j39 s ASN 10 Cb 0.00 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.16 1j39 s ASN 10 CO 0.00 0.02 1.29 0.21 -2.57 0.00 0.00 177.10 176.05 1j39 s ASN 11 N -0.15 5.11 -0.17 -1.22 2.47 -1.26 -4.66 114.94 115.06 1j39 s ASN 11 Ca 0.00 2.60 0.01 0.00 0.42 0.00 0.00 52.86 55.89 1j39 s ASN 11 Cb -0.02 -2.62 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 1j39 s ASN 11 CO -0.00 -1.66 -0.17 -0.69 -3.72 0.00 0.00 177.10 170.85 1j39 s VAL 12 N -1.42 1.86 -0.27 -5.21 1.01 -1.26 -4.56 120.40 110.55 1j39 s VAL 12 Ca 0.76 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1j39 s VAL 12 Cb -0.36 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.47 1j39 s VAL 12 CO 0.41 0.47 1.33 0.27 0.00 0.00 0.00 175.10 177.58 1j39 s ILE 13 N 1.36 0.00 0.00 2.22 -4.36 -1.26 -4.86 121.20 114.31 1j39 s ILE 13 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 1j39 s ILE 13 Cb -0.13 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.58 1j39 s ILE 13 CO -0.12 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.60 1j39 n ASN 14 N 0.34 0.00 -2.73 4.36 2.04 -1.26 -4.41 115.26 113.60 1j39 n ASN 14 Ca 0.01 0.00 -0.28 0.00 -0.44 0.00 0.00 54.58 53.87 1j39 n ASN 14 Cb 0.58 -0.03 -0.01 0.00 -2.53 0.00 0.00 39.78 37.79 1j39 n ASN 14 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1j39 n PHE 15 N -0.03 3.65 1.42 -2.53 3.01 -1.26 -4.36 117.46 117.35 1j39 n PHE 15 Ca 0.00 -3.43 0.14 0.00 1.01 0.00 0.00 57.45 55.17 1j39 n PHE 15 Cb 0.00 -0.34 0.49 0.00 -0.01 0.00 0.00 39.48 39.62 1j39 n PHE 15 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1j39 n LYS 16 N -0.37 1.31 -3.53 -1.08 5.02 -1.26 -4.86 118.16 113.38 1j39 n LYS 16 Ca 0.37 -0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 55.79 1j39 n LYS 16 Cb 0.51 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1j39 n LYS 16 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1j39 s THR 17 N -2.20 0.03 0.15 -0.18 -1.32 -1.26 -5.05 115.64 105.82 1j39 s THR 17 Ca 0.33 -0.26 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 1j39 s THR 17 Cb 0.20 -1.05 0.02 0.00 -1.51 0.00 0.00 72.50 70.16 1j39 s THR 17 CO 0.41 -0.14 1.72 0.58 -2.21 0.00 0.00 174.62 174.97 1j39 h VAL 18 N 2.35 0.80 -0.45 5.08 2.07 -1.98 0.27 116.25 124.39 1j39 h VAL 18 Ca -0.33 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1j39 h VAL 18 Cb 1.26 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1j39 h VAL 18 CO 0.42 0.02 0.15 1.55 0.02 0.00 0.00 177.57 179.73 1j39 h PRO 19 N 0.12 0.69 -0.44 1.57 0.13 -1.97 0.11 132.00 132.21 1j39 h PRO 19 Ca 0.15 -0.14 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1j39 h PRO 19 Cb 0.19 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1j39 h PRO 19 CO -0.23 0.66 -0.26 1.03 -0.23 0.00 0.00 178.00 178.97 1j39 h SER 20 N 0.58 0.99 -0.09 1.44 0.87 -1.76 -1.93 113.55 113.66 1j39 h SER 20 Ca 0.15 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1j39 h SER 20 Cb 0.25 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1j39 h SER 20 CO -0.01 1.19 0.00 0.28 -0.53 0.00 0.00 176.83 177.77 1j39 h SER 21 N 0.80 0.15 -0.46 6.23 0.02 -0.36 -2.37 113.55 117.56 1j39 h SER 21 Ca 0.09 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1j39 h SER 21 Cb 0.84 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1j39 h SER 21 CO 0.07 0.42 0.28 -0.08 -1.14 0.00 0.00 176.83 176.38 1j39 h GLU 22 N -0.12 0.64 -0.34 3.45 4.81 -0.78 -0.12 114.58 122.13 1j39 h GLU 22 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1j39 h GLU 22 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1j39 h GLU 22 CO 0.00 0.46 0.10 1.15 -0.73 0.00 0.00 179.01 179.99 1j39 h THR 23 N 0.66 1.21 -0.62 0.32 2.02 -1.19 0.30 112.91 115.61 1j39 h THR 23 Ca 0.17 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1j39 h THR 23 Cb -0.01 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1j39 h THR 23 CO -0.03 0.24 0.04 0.40 0.37 0.00 0.00 175.52 176.54 1j39 h ILE 24 N 0.39 1.26 -0.27 3.11 2.04 -0.88 0.04 117.51 123.20 1j39 h ILE 24 Ca 0.11 -1.10 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1j39 h ILE 24 Cb 0.26 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1j39 h ILE 24 CO -0.00 0.41 -0.34 1.88 0.00 0.00 0.00 178.15 180.09 1j39 h TYR 25 N 0.98 0.68 -0.45 1.37 0.05 -0.79 0.14 116.97 118.95 1j39 h TYR 25 Ca 0.18 -0.18 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1j39 h TYR 25 Cb 0.51 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1j39 h TYR 25 CO 0.04 0.85 -0.20 -0.07 -1.05 0.00 0.00 178.16 177.73 1j39 h LEU 26 N 0.50 0.96 -0.67 3.88 3.38 -0.21 -0.54 115.31 122.60 1j39 h LEU 26 Ca 0.05 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1j39 h LEU 26 Cb 0.83 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1j39 h LEU 26 CO 0.07 1.14 0.43 0.15 0.09 0.00 0.00 178.44 180.32 1j39 h PHE 27 N 0.77 0.81 -0.28 1.13 3.57 -0.63 -0.85 116.94 121.45 1j39 h PHE 27 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1j39 h PHE 27 Cb 0.77 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1j39 h PHE 27 CO 0.05 0.47 0.02 -0.22 -2.23 0.00 0.00 178.31 176.41 1j39 h LYS 28 N 0.85 0.48 -0.04 1.11 3.64 -0.44 -1.28 116.57 120.88 1j39 h LYS 28 Ca 0.26 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1j39 h LYS 28 Cb -0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1j39 h LYS 28 CO -0.09 0.62 -0.43 -0.24 -2.27 0.00 0.00 179.45 177.04 1j39 h VAL 29 N 0.27 1.31 -0.20 2.00 3.04 -0.87 -0.08 116.25 121.73 1j39 h VAL 29 Ca 0.08 -1.51 -0.18 0.00 -1.01 0.00 0.00 66.70 64.09 1j39 h VAL 29 Cb 0.39 1.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1j39 h VAL 29 CO 0.01 0.44 -0.60 0.40 -1.01 0.00 0.00 177.57 176.81 1j39 h ILE 30 N 0.08 1.31 -0.55 3.17 2.04 -1.06 -2.89 117.51 119.60 1j39 h ILE 30 Ca 0.01 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.96 1j39 h ILE 30 Cb 0.79 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1j39 h ILE 30 CO 0.06 0.58 0.06 0.28 0.00 0.00 0.00 178.15 179.13 1j39 h SER 31 N 0.50 0.91 0.21 1.72 0.02 -0.84 -2.17 113.55 113.90 1j39 h SER 31 Ca -0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1j39 h SER 31 Cb 1.18 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1j39 h SER 31 CO 0.12 0.96 0.00 -0.62 -1.14 0.00 0.00 176.83 176.15 1j39 n GLU 32 N -4.32 0.01 0.00 3.45 1.02 -0.08 -0.78 120.64 119.95 1j39 n GLU 32 Ca 0.02 0.41 0.14 0.00 -0.02 0.00 0.00 57.16 57.71 1j39 n GLU 32 Cb 0.29 -1.54 0.58 0.00 -0.02 0.00 0.00 31.44 30.75 1j39 n GLU 32 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1j39 n MET 33 N -1.56 0.49 -1.37 3.49 2.81 -0.82 -4.90 117.12 115.27 1j39 n MET 33 Ca 0.01 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1j39 n MET 33 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1j39 n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j39 n GLY 34 N 1.34 0.96 3.52 3.03 0.00 0.04 -5.07 105.19 109.01 1j39 n GLY 34 Ca 0.12 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1j39 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j39 s LEU 35 N -0.18 2.88 -0.56 0.99 1.43 -1.22 -5.07 118.68 116.94 1j39 s LEU 35 Ca 0.00 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 1j39 s LEU 35 Cb 0.00 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1j39 s LEU 35 CO 0.00 0.32 1.13 0.21 0.23 0.00 0.00 176.35 178.24 1j39 s ASN 36 N -1.00 6.45 0.02 2.29 3.84 -1.26 -4.46 114.94 120.81 1j39 s ASN 36 Ca 0.13 0.07 0.02 0.00 0.21 0.00 0.00 52.86 53.29 1j39 s ASN 36 Cb -0.11 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 1j39 s ASN 36 CO 0.03 -1.40 -0.07 0.54 -2.79 0.00 0.00 177.10 173.41 1j39 s VAL 37 N 4.68 0.53 0.14 -5.21 0.11 -1.26 -0.66 120.40 118.72 1j39 s VAL 37 Ca 0.41 -0.64 0.09 0.00 -2.93 0.00 0.00 61.98 58.91 1j39 s VAL 37 Cb -0.08 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1j39 s VAL 37 CO 0.25 -0.10 -0.22 -1.81 -3.33 0.00 0.00 175.10 169.90 1j39 s ASP 38 N -0.80 2.85 -0.20 3.54 1.01 -0.40 -4.99 116.67 117.68 1j39 s ASP 38 Ca -0.03 -0.77 -0.05 0.00 0.71 0.00 0.00 52.55 52.40 1j39 s ASP 38 Cb -0.06 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.67 1j39 s ASP 38 CO 0.00 0.06 0.01 -0.63 0.21 0.00 0.00 175.17 174.82 1j39 s ILE 39 N -1.46 4.04 -0.20 0.77 1.01 -1.26 -0.56 121.20 123.54 1j39 s ILE 39 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1j39 s ILE 39 Cb -0.09 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1j39 s ILE 39 CO 0.06 0.43 0.03 -0.63 0.00 0.00 0.00 174.94 174.83 1j39 s ILE 40 N 0.94 4.24 0.00 2.92 -1.09 -0.30 -1.22 121.20 126.70 1j39 s ILE 40 Ca 0.02 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1j39 s ILE 40 Cb -0.14 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1j39 s ILE 40 CO 0.02 0.42 0.00 -0.24 -1.23 0.00 0.00 174.94 173.91 1j39 n SER 41 N 4.14 0.00 -0.18 3.58 2.88 0.15 -4.42 113.62 119.77 1j39 n SER 41 Ca -0.17 -0.46 -0.04 0.00 -1.33 0.00 0.00 58.87 56.88 1j39 n SER 41 Cb 0.52 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.13 1j39 n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1j39 h LEU 42 N 0.00 0.87 -8.67 2.46 3.38 -1.89 -1.43 115.31 110.04 1j39 h LEU 42 Ca 0.00 -0.15 -0.32 0.00 0.09 0.00 0.00 57.88 57.50 1j39 h LEU 42 Cb 0.00 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 40.38 1j39 h LEU 42 CO 0.00 0.83 -0.70 -0.54 0.09 0.00 0.00 178.44 178.12 1j39 s LYS 43 N -5.31 1.09 0.16 1.13 1.02 -1.26 -4.50 119.74 112.06 1j39 s LYS 43 Ca -0.11 -1.49 -0.26 0.00 0.02 0.00 0.00 55.97 54.14 1j39 s LYS 43 Cb 0.16 -0.53 -0.08 0.00 -0.52 0.00 0.00 37.83 36.86 1j39 s LYS 43 CO 0.81 0.01 0.81 -0.80 -0.92 0.00 0.00 175.35 175.26 1j39 s ASN 44 N -3.18 7.42 0.00 2.83 -0.87 -1.26 -3.92 114.94 115.96 1j39 s ASN 44 Ca 0.19 1.68 0.00 0.00 -1.57 0.00 0.00 52.86 53.16 1j39 s ASN 44 Cb 0.04 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 1j39 s ASN 44 CO 0.02 0.16 0.00 0.61 -2.57 0.00 0.00 177.10 175.32 1j39 n GLY 45 N 1.71 2.27 0.28 0.66 0.00 0.25 -4.94 105.19 105.41 1j39 n GLY 45 Ca -0.04 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.15 1j39 n GLY 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1j39 h VAL 46 N 0.82 0.14 0.00 1.61 -1.51 -2.00 -3.15 116.25 112.16 1j39 h VAL 46 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1j39 h VAL 46 Cb 0.00 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1j39 h VAL 46 CO 0.00 0.04 -0.18 -1.22 -1.23 0.00 0.00 177.57 174.98 1j39 n TYR 47 N -3.20 0.00 -4.22 5.19 4.01 -1.26 -5.08 117.16 112.61 1j39 n TYR 47 Ca -0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1j39 n TYR 47 Cb 0.26 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1j39 n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1j39 s THR 48 N -1.36 0.59 0.10 -0.72 -4.23 -1.19 -4.21 115.64 104.62 1j39 s THR 48 Ca 0.01 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1j39 s THR 48 Cb 0.03 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1j39 s THR 48 CO 0.16 -0.53 -0.24 -0.54 -0.54 0.00 0.00 174.62 172.93 1j39 s LYS 49 N -3.92 1.31 0.45 3.99 1.02 -0.36 -0.59 119.74 121.64 1j39 s LYS 49 Ca 0.22 -1.21 -0.13 0.00 0.02 0.00 0.00 55.97 54.87 1j39 s LYS 49 Cb 0.06 -1.64 -0.07 0.00 -0.52 0.00 0.00 37.83 35.66 1j39 s LYS 49 CO 0.02 0.39 0.86 -1.54 -0.92 0.00 0.00 175.35 174.17 1j39 s SER 50 N -1.85 6.56 0.36 2.83 1.04 -1.25 -0.67 113.70 120.72 1j39 s SER 50 Ca 0.10 1.32 0.06 0.00 0.48 0.00 0.00 55.95 57.90 1j39 s SER 50 Cb -0.10 -2.40 0.74 0.00 0.10 0.00 0.00 66.02 64.36 1j39 s SER 50 CO 0.05 -0.48 1.97 -0.26 0.98 0.00 0.00 173.24 175.49 1j39 h PHE 51 N 1.10 0.75 0.00 5.02 0.04 -1.48 -1.40 116.94 120.97 1j39 h PHE 51 Ca -0.47 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 1j39 h PHE 51 Cb 1.19 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 1j39 h PHE 51 CO 0.62 0.41 -0.04 0.22 -0.60 0.00 0.00 178.31 178.92 1j39 h ASP 52 N 0.75 0.00 -0.66 2.17 1.82 -1.89 -3.16 116.42 115.45 1j39 h ASP 52 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1j39 h ASP 52 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1j39 h ASP 52 CO -0.10 0.04 0.00 -0.62 -1.61 0.00 0.00 179.24 176.95 1j39 n GLU 53 N -3.15 2.67 -4.16 0.28 -0.58 -0.53 -4.97 120.64 110.20 1j39 n GLU 53 Ca 0.00 -2.58 -0.10 0.00 -0.42 0.00 0.00 57.16 54.07 1j39 n GLU 53 Cb 0.32 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 1j39 n GLU 53 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1j39 s VAL 54 N -1.12 0.56 -0.35 2.62 -7.23 -1.19 -4.94 120.40 108.75 1j39 s VAL 54 Ca 0.47 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1j39 s VAL 54 Cb 0.25 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.50 1j39 s VAL 54 CO 0.33 -0.82 0.14 -0.62 -0.31 0.00 0.00 175.10 173.82 1j39 s ASP 55 N -3.04 5.47 0.46 4.85 -1.08 -1.26 -4.96 116.67 117.10 1j39 s ASP 55 Ca 0.13 -1.09 0.25 0.00 -0.52 0.00 0.00 52.55 51.32 1j39 s ASP 55 Cb 0.06 -1.92 1.27 0.00 -1.46 0.00 0.00 42.92 40.87 1j39 s ASP 55 CO -0.04 -0.35 1.80 1.62 0.52 0.00 0.00 175.17 178.72 1j39 h VAL 56 N 6.07 0.51 -0.01 1.11 3.04 -1.92 0.14 116.25 125.19 1j39 h VAL 56 Ca -0.24 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1j39 h VAL 56 Cb 1.09 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1j39 h VAL 56 CO 0.63 0.04 0.00 0.59 -1.01 0.00 0.00 177.57 177.82 1j39 n ASN 57 N -4.45 0.15 0.09 3.17 3.02 -1.26 -2.74 115.26 113.23 1j39 n ASN 57 Ca 0.24 -1.32 0.13 0.00 -0.03 0.00 0.00 54.58 53.60 1j39 n ASN 57 Cb 0.97 -0.01 0.32 0.00 -0.61 0.00 0.00 39.78 40.46 1j39 n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j39 n ASP 58 N -0.75 0.80 -4.79 6.41 8.00 0.04 -4.80 116.55 121.45 1j39 n ASP 58 Ca 0.17 0.43 -0.38 0.00 0.71 0.00 0.00 54.79 55.72 1j39 n ASP 58 Cb 0.10 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1j39 n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j39 s TYR 59 N -3.12 3.72 -0.10 1.24 2.02 -1.11 -4.82 117.35 115.18 1j39 s TYR 59 Ca 0.09 1.16 0.14 0.00 -0.37 0.00 0.00 57.07 58.09 1j39 s TYR 59 Cb 0.12 -2.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 1j39 s TYR 59 CO 0.64 0.48 1.17 -0.44 -1.57 0.00 0.00 175.55 175.83 1j39 h ASP 60 N 5.13 0.00 -3.54 2.29 3.32 -0.92 -3.45 116.42 119.26 1j39 h ASP 60 Ca -0.48 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.28 1j39 h ASP 60 Cb 1.21 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1j39 h ASP 60 CO 0.66 0.63 -0.72 -0.13 -1.72 0.00 0.00 179.24 177.95 1j39 s ARG 61 N -2.89 -0.03 -0.24 3.56 1.81 -1.07 -4.96 118.95 115.12 1j39 s ARG 61 Ca 0.01 0.18 -0.00 0.00 -1.72 0.00 0.00 55.73 54.19 1j39 s ARG 61 Cb 0.08 -0.22 0.03 0.00 -0.45 0.00 0.00 34.95 34.39 1j39 s ARG 61 CO 0.78 -0.15 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.99 1j39 s LEU 62 N 0.98 3.13 -0.16 2.53 2.96 -1.26 -1.48 118.68 125.38 1j39 s LEU 62 Ca -0.08 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 52.79 1j39 s LEU 62 Cb -0.12 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1j39 s LEU 62 CO -0.03 -0.13 0.12 -0.63 -1.32 0.00 0.00 176.35 174.36 1j39 s ILE 63 N 1.28 5.29 -0.03 6.68 1.01 0.70 -1.07 121.20 135.05 1j39 s ILE 63 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1j39 s ILE 63 Cb -0.17 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1j39 s ILE 63 CO -0.06 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.53 1j39 s VAL 64 N -0.24 1.51 0.24 2.92 1.01 0.22 -1.20 120.40 124.86 1j39 s VAL 64 Ca 0.10 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1j39 s VAL 64 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1j39 s VAL 64 CO 0.01 0.43 -0.01 0.68 0.00 0.00 0.00 175.10 176.21 1j39 s VAL 65 N -0.16 1.12 -0.07 2.92 -7.23 -0.21 -1.13 120.40 115.65 1j39 s VAL 65 Ca 0.00 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1j39 s VAL 65 Cb -0.10 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1j39 s VAL 65 CO 0.01 -0.31 0.03 -3.20 -0.31 0.00 0.00 175.10 171.32 1j39 n ASN 66 N -0.45 -6.41 -4.41 4.85 4.05 -1.26 0.16 115.26 111.78 1j39 n ASN 66 Ca -0.05 0.84 -0.44 0.00 0.45 0.00 0.00 54.58 55.38 1j39 n ASN 66 Cb 0.64 -2.54 -0.08 0.00 1.23 0.00 0.00 39.78 39.03 1j39 n ASN 66 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1j39 s SER 67 N -0.73 6.16 0.15 1.20 0.01 -1.26 0.13 113.70 119.35 1j39 s SER 67 Ca -0.03 -1.16 0.25 0.00 1.31 0.00 0.00 55.95 56.31 1j39 s SER 67 Cb 0.00 -2.20 0.46 0.00 0.21 0.00 0.00 66.02 64.50 1j39 s SER 67 CO 0.21 -0.65 1.44 0.28 0.41 0.00 0.00 173.24 174.93 1j39 h SER 68 N 8.77 0.00 -0.15 2.44 0.02 -1.81 -3.40 113.55 119.42 1j39 h SER 68 Ca -0.28 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1j39 h SER 68 Cb 1.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1j39 h SER 68 CO 0.87 0.07 -0.09 -0.38 -1.14 0.00 0.00 176.83 176.16 1j39 n ILE 69 N -2.18 -0.10 -1.92 3.27 5.41 -1.26 -4.82 119.36 117.75 1j39 n ILE 69 Ca 0.04 1.34 -0.42 0.00 1.00 0.00 0.00 62.75 64.71 1j39 n ILE 69 Cb 0.44 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 1j39 n ILE 69 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1j39 n ASN 70 N -3.22 4.11 -0.38 4.38 0.23 -1.26 -4.82 115.26 114.30 1j39 n ASN 70 Ca 0.00 -2.86 -0.03 0.00 -0.53 0.00 0.00 54.58 51.16 1j39 n ASN 70 Cb 0.04 -1.68 -0.01 0.00 -2.08 0.00 0.00 39.78 36.05 1j39 n ASN 70 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1j39 n LYS 75 N 6.60 0.00 -1.41 -3.83 0.00 -1.26 -5.12 118.16 113.14 1j39 n LYS 75 Ca 0.51 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.40 1j39 n LYS 75 Cb 0.41 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.03 35.32 1j39 n LYS 75 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1j39 n PRO 76 N 0.65 0.37 -4.09 -1.58 -0.02 -1.26 -5.02 135.00 124.05 1j39 n PRO 76 Ca 0.06 0.14 -0.23 0.00 -2.02 0.00 0.00 63.50 61.44 1j39 n PRO 76 Cb 0.00 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1j39 n PRO 76 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1j39 n ASN 77 N 1.67 1.88 -0.28 2.55 0.23 -1.26 -4.99 115.26 115.06 1j39 n ASN 77 Ca 0.12 -2.83 -0.01 0.00 -0.53 0.00 0.00 54.58 51.32 1j39 n ASN 77 Cb 0.37 0.67 0.11 0.00 -2.08 0.00 0.00 39.78 38.85 1j39 n ASN 77 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1j39 h LEU 78 N 0.00 0.76 -0.24 -4.53 7.12 -1.98 -1.32 115.31 115.12 1j39 h LEU 78 Ca -0.30 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.71 1j39 h LEU 78 Cb 1.04 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1j39 h LEU 78 CO 0.48 0.50 0.10 0.00 -0.13 0.00 0.00 178.44 179.39 1j39 h ALA 79 N 1.35 0.31 0.06 1.25 0.00 -1.94 -1.49 119.26 118.80 1j39 h ALA 79 Ca 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1j39 h ALA 79 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1j39 h ALA 79 CO -0.15 -0.11 -0.03 0.82 0.00 0.00 0.00 179.25 179.79 1j39 h ILE 80 N 0.23 1.00 -0.51 0.00 2.04 -1.61 -0.66 117.51 118.01 1j39 h ILE 80 Ca 0.08 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1j39 h ILE 80 Cb 0.17 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1j39 h ILE 80 CO -0.01 0.05 0.33 -0.07 0.00 0.00 0.00 178.15 178.45 1j39 h LEU 81 N -0.17 0.59 -0.75 1.44 -0.00 -1.25 0.14 115.31 115.31 1j39 h LEU 81 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 1j39 h LEU 81 Cb 0.14 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.62 1j39 h LEU 81 CO 0.01 0.44 0.21 0.28 -0.00 0.00 0.00 178.44 179.38 1j39 h SER 82 N 0.69 1.08 -0.12 -0.43 0.02 -1.20 -0.54 113.55 113.05 1j39 h SER 82 Ca 0.19 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1j39 h SER 82 Cb -0.07 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1j39 h SER 82 CO -0.04 1.01 0.02 0.00 -1.14 0.00 0.00 176.83 176.69 1j39 h ALA 83 N 1.12 0.16 -0.29 3.77 0.00 -0.73 -1.23 119.26 122.06 1j39 h ALA 83 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1j39 h ALA 83 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1j39 h ALA 83 CO -0.00 -0.19 0.03 1.96 0.00 0.00 0.00 179.25 181.04 1j39 h GLN 84 N -0.02 0.12 -0.88 0.00 1.08 -0.50 0.99 115.11 115.89 1j39 h GLN 84 Ca 0.04 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1j39 h GLN 84 Cb 0.28 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1j39 h GLN 84 CO 0.00 0.08 0.45 -0.22 -0.95 0.00 0.00 178.83 178.19 1j39 h LYS 85 N 0.12 1.25 0.22 1.46 3.64 -1.04 0.82 116.57 123.03 1j39 h LYS 85 Ca 0.14 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1j39 h LYS 85 Cb 0.17 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1j39 h LYS 85 CO -0.21 0.94 -0.10 0.35 -2.27 0.00 0.00 179.45 178.16 1j39 h PHE 86 N 1.25 -0.27 -0.33 1.91 3.57 -0.58 -2.82 116.94 119.66 1j39 h PHE 86 Ca 0.31 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1j39 h PHE 86 Cb 0.07 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1j39 h PHE 86 CO 0.01 -0.04 0.14 0.52 -2.23 0.00 0.00 178.31 176.71 1j39 h MET 87 N -0.46 0.46 -0.09 1.11 2.86 -0.65 -2.41 114.93 115.75 1j39 h MET 87 Ca -0.03 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1j39 h MET 87 Cb 0.35 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1j39 h MET 87 CO 0.05 0.38 -0.06 0.00 1.06 0.00 0.00 176.91 178.33 1j39 h ALA 88 N 1.70 1.73 0.00 6.32 0.00 -0.60 -2.51 119.26 125.90 1j39 h ALA 88 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j39 h ALA 88 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j39 h ALA 88 CO -0.01 0.21 -0.60 0.87 0.00 0.00 0.00 179.25 179.71 1j39 h LYS 89 N 0.13 0.00 -6.68 0.00 1.57 -1.22 -3.44 116.57 106.93 1j39 h LYS 89 Ca 0.03 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.28 1j39 h LYS 89 Cb 0.20 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.55 1j39 h LYS 89 CO 0.01 0.00 0.71 -0.47 -0.57 0.00 0.00 179.45 179.13 1j39 s TYR 90 N -3.24 3.17 -2.52 -1.35 5.04 -0.95 -4.88 117.35 112.63 1j39 s TYR 90 Ca 0.04 1.10 0.23 0.00 -2.44 0.00 0.00 57.07 56.01 1j39 s TYR 90 Cb 0.10 -3.70 0.44 0.00 0.35 0.00 0.00 41.96 39.15 1j39 s TYR 90 CO 0.73 -2.26 1.41 1.63 -1.34 0.00 0.00 175.55 175.71 1j39 n LYS 91 N 2.74 2.43 -3.97 4.97 5.02 -1.26 -4.67 118.16 123.43 1j39 n LYS 91 Ca 0.07 -2.16 -0.24 0.00 -2.02 0.00 0.00 58.31 53.96 1j39 n LYS 91 Cb 0.42 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1j39 n LYS 91 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1j39 n SER 92 N 1.39 3.03 -4.77 4.39 7.64 -1.26 -4.98 113.62 119.06 1j39 n SER 92 Ca 0.19 -2.64 -0.40 0.00 1.01 0.00 0.00 58.87 57.03 1j39 n SER 92 Cb 0.58 0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 64.04 1j39 n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1j39 s LYS 93 N -3.36 4.02 -0.18 1.43 2.20 -1.26 -4.56 119.74 118.02 1j39 s LYS 93 Ca 0.00 2.15 -0.06 0.00 -0.36 0.00 0.00 55.97 57.70 1j39 s LYS 93 Cb -0.00 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1j39 s LYS 93 CO 0.00 -0.45 0.03 0.42 -0.36 0.00 0.00 175.35 175.00 1j39 s ILE 94 N -1.25 4.43 -0.45 5.43 1.01 -0.84 -4.25 121.20 125.26 1j39 s ILE 94 Ca 0.56 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 1j39 s ILE 94 Cb -0.38 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.16 1j39 s ILE 94 CO 0.49 0.45 0.36 -0.31 0.00 0.00 0.00 174.94 175.93 1j39 s TYR 95 N 0.57 3.25 -0.26 3.97 1.51 -0.23 -0.56 117.35 125.61 1j39 s TYR 95 Ca 0.01 -0.95 -0.17 0.00 -1.01 0.00 0.00 57.07 54.96 1j39 s TYR 95 Cb -0.13 -3.05 -0.03 0.00 -0.11 0.00 0.00 41.96 38.64 1j39 s TYR 95 CO 0.02 -0.77 0.45 -0.47 -1.11 0.00 0.00 175.55 173.67 1j39 s TYR 96 N 1.62 3.26 -0.54 2.71 5.04 0.44 -0.61 117.35 129.28 1j39 s TYR 96 Ca 0.04 0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 54.97 1j39 s TYR 96 Cb -0.23 -2.65 0.04 0.00 0.35 0.00 0.00 41.96 39.47 1j39 s TYR 96 CO 0.07 -0.25 0.92 -0.51 -1.34 0.00 0.00 175.55 174.44 1j39 s LEU 97 N 2.16 4.13 -0.89 6.97 1.43 -0.28 -0.21 118.68 131.99 1j39 s LEU 97 Ca 0.18 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 1j39 s LEU 97 Cb -0.16 -2.86 0.13 0.00 0.03 0.00 0.00 46.19 43.34 1j39 s LEU 97 CO 0.09 -1.18 1.07 0.12 0.23 0.00 0.00 176.35 176.69 1j39 s PHE 98 N 3.85 3.14 -0.81 0.29 5.36 -0.30 -4.52 117.98 124.98 1j39 s PHE 98 Ca 0.30 -1.37 0.16 0.00 -0.96 0.00 0.00 56.93 55.06 1j39 s PHE 98 Cb -0.13 -4.24 -0.16 0.00 -0.34 0.00 0.00 43.02 38.16 1j39 s PHE 98 CO 0.20 -1.45 0.69 0.25 -1.46 0.00 0.00 175.22 173.44 1j39 n THR 99 N 5.41 0.00 -3.68 0.12 -2.24 -1.26 -1.61 114.28 111.01 1j39 n THR 99 Ca 0.20 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 1j39 n THR 99 Cb 0.48 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.56 1j39 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j39 s ASP 100 N -2.46 1.81 0.40 3.42 -1.08 -1.26 -4.98 116.67 112.53 1j39 s ASP 100 Ca 0.07 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.03 1j39 s ASP 100 Cb 0.12 -0.29 1.16 0.00 -1.46 0.00 0.00 42.92 42.45 1j39 s ASP 100 CO 0.63 -0.27 1.74 0.40 0.52 0.00 0.00 175.17 178.19 1j39 h ILE 101 N 6.42 0.45 0.00 4.11 1.08 -1.97 0.25 117.51 127.84 1j39 h ILE 101 Ca -0.15 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1j39 h ILE 101 Cb 1.13 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1j39 h ILE 101 CO 0.24 0.06 0.00 -2.11 -0.69 0.00 0.00 178.15 175.65 1j39 n ARG 102 N -4.64 0.04 -2.88 2.37 1.85 -1.26 -4.11 116.66 108.02 1j39 n ARG 102 Ca 0.27 0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 56.88 1j39 n ARG 102 Cb 0.98 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.86 1j39 n ARG 102 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1j39 n LEU 103 N -1.48 5.05 -4.76 2.89 4.77 0.87 -4.93 117.00 119.40 1j39 n LEU 103 Ca 0.07 -5.63 -0.29 0.00 -0.03 0.00 0.00 56.01 50.12 1j39 n LEU 103 Cb 0.29 -0.68 0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1j39 n LEU 103 CO 0.23 2.30 0.69 -2.16 -1.33 0.00 0.00 177.39 177.13 1j39 s PRO 104 N -3.64 1.39 0.34 3.23 0.04 -1.26 -4.42 135.00 130.68 1j39 s PRO 104 Ca 0.47 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 1j39 s PRO 104 Cb 0.26 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.86 1j39 s PRO 104 CO -0.14 -2.08 1.23 0.12 0.04 0.00 0.00 177.00 176.17 1j39 s PHE 105 N -3.12 3.15 -0.11 0.56 5.36 -1.26 -4.78 117.98 117.78 1j39 s PHE 105 Ca 0.63 1.51 -0.29 0.00 -0.96 0.00 0.00 56.93 57.81 1j39 s PHE 105 Cb -0.16 -3.54 0.07 0.00 -0.34 0.00 0.00 43.02 39.06 1j39 s PHE 105 CO 0.55 -1.48 0.71 -1.54 -1.46 0.00 0.00 175.22 172.00 1j39 s SER 106 N -0.72 -0.67 -0.06 6.13 1.04 -1.26 -4.84 113.70 113.32 1j39 s SER 106 Ca 0.50 0.89 -0.14 0.00 0.48 0.00 0.00 55.95 57.68 1j39 s SER 106 Cb -0.36 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1j39 s SER 106 CO 0.47 -0.50 0.37 -1.10 0.98 0.00 0.00 173.24 173.46 1j39 s GLN 107 N -0.77 4.01 0.04 4.02 -0.21 -1.26 -4.92 119.66 120.57 1j39 s GLN 107 Ca -0.08 0.31 0.22 0.00 0.02 0.00 0.00 55.36 55.83 1j39 s GLN 107 Cb -0.01 -3.29 0.91 0.00 1.00 0.00 0.00 33.01 31.61 1j39 s GLN 107 CO 0.07 0.52 1.69 -1.13 -2.12 0.00 0.00 175.29 174.32 1j39 n SER 108 N 2.49 0.12 -0.23 5.90 3.41 -1.26 -3.88 113.62 120.17 1j39 n SER 108 Ca -0.13 0.52 -0.02 0.00 -0.26 0.00 0.00 58.87 58.98 1j39 n SER 108 Cb 0.52 -0.55 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1j39 n SER 108 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1j39 h TRP 109 N 0.00 -0.64 -0.47 7.33 -0.00 -1.93 0.33 115.95 120.57 1j39 h TRP 109 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1j39 h TRP 109 Cb 0.39 0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 29.91 1j39 h TRP 109 CO 0.00 -0.34 0.18 -1.35 -0.00 0.00 0.00 178.44 176.93 1j39 h PRO 110 N -0.07 0.67 -6.11 0.49 0.11 -2.01 -3.51 132.00 121.57 1j39 h PRO 110 Ca 0.29 -0.09 -0.57 0.00 0.11 0.00 0.00 66.00 65.73 1j39 h PRO 110 Cb 0.54 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 1j39 h PRO 110 CO -0.72 0.56 0.82 -0.80 -0.21 0.00 0.00 178.00 177.65 1j39 s ASN 111 N -6.63 7.06 0.00 -2.05 0.01 0.11 -5.23 114.94 108.21 1j39 s ASN 111 Ca -0.09 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 1j39 s ASN 111 Cb 0.16 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1j39 s ASN 111 CO 0.77 -0.69 0.00 0.54 -1.51 0.00 0.00 177.10 176.21 1j39 n ARG 115 N 6.34 0.00 -0.03 -0.60 5.12 -1.26 -4.84 116.66 121.39 1j39 n ARG 115 Ca 0.12 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.91 1j39 n ARG 115 Cb 0.46 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.66 1j39 n ARG 115 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1j39 h PRO 116 N 0.00 0.13 0.00 5.56 0.13 -2.05 -3.10 132.00 132.67 1j39 h PRO 116 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1j39 h PRO 116 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1j39 h PRO 116 CO 0.00 0.63 0.00 -2.67 -0.23 0.00 0.00 178.00 175.73 1j39 n TRP 117 N -4.71 0.00 0.10 1.56 2.14 -1.26 -2.83 117.44 112.44 1j39 n TRP 117 Ca -0.08 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.55 1j39 n TRP 117 Cb 0.32 -0.27 0.31 0.00 -0.81 0.00 0.00 31.31 30.86 1j39 n TRP 117 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1j39 n ALA 118 N -1.27 0.86 0.18 -1.67 0.00 -1.17 -1.08 120.51 116.35 1j39 n ALA 118 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1j39 n ALA 118 Cb 0.06 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 18.92 1j39 n ALA 118 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j39 h TYR 119 N 0.00 0.08 -0.00 0.00 -0.00 -1.78 -2.77 116.97 112.49 1j39 h TYR 119 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 1j39 h TYR 119 Cb 0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 1j39 h TYR 119 CO 0.00 0.32 -0.12 1.28 -0.00 0.00 0.00 178.16 179.64 1j39 n LEU 120 N -4.22 0.39 -4.10 2.82 4.77 -0.24 -4.89 117.00 111.53 1j39 n LEU 120 Ca -0.02 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1j39 n LEU 120 Cb 0.32 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1j39 n LEU 120 CO 0.38 0.08 -0.41 -0.31 -1.33 0.00 0.00 177.39 175.80 1j39 s TYR 121 N -2.56 0.79 0.41 -1.77 1.51 -1.05 -5.16 117.35 109.52 1j39 s TYR 121 Ca 0.26 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1j39 s TYR 121 Cb 0.20 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1j39 s TYR 121 CO 0.49 -0.08 0.30 0.95 -1.11 0.00 0.00 175.55 176.10 1j39 s THR 122 N -1.85 2.59 0.00 -0.71 -4.23 -1.26 -4.91 115.64 105.27 1j39 s THR 122 Ca -0.04 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1j39 s THR 122 Cb -0.07 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1j39 s THR 122 CO -0.00 -0.02 0.80 -0.08 -0.54 0.00 0.00 174.62 174.78 1j39 h GLU 123 N 1.20 -0.04 -1.07 3.99 4.81 -1.98 -3.16 114.58 118.33 1j39 h GLU 123 Ca -0.42 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.11 1j39 h GLU 123 Cb 1.26 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.54 1j39 h GLU 123 CO 0.62 -0.02 0.67 1.05 -0.73 0.00 0.00 179.01 180.60 1j39 h GLU 124 N -0.05 0.36 -0.14 1.92 4.11 -1.98 0.59 114.58 119.40 1j39 h GLU 124 Ca -0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.44 1j39 h GLU 124 Cb 0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1j39 h GLU 124 CO 0.01 0.24 0.12 1.49 0.07 0.00 0.00 179.01 180.93 1j39 h GLU 125 N 0.37 0.00 0.00 1.06 4.81 -1.98 -2.82 114.58 116.02 1j39 h GLU 125 Ca 0.66 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1j39 h GLU 125 Cb 1.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.03 1j39 h GLU 125 CO -0.39 0.00 -0.32 1.28 -0.73 0.00 0.00 179.01 178.85 1j39 n LEU 126 N -4.20 0.23 -4.64 1.64 4.77 0.16 -4.22 117.00 110.76 1j39 n LEU 126 Ca 0.00 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.09 1j39 n LEU 126 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1j39 n LEU 126 CO 0.32 0.06 1.21 -0.22 -1.33 0.00 0.00 177.39 177.43 1j39 s LEU 127 N -2.33 3.97 -0.39 2.23 2.96 0.12 -4.73 118.68 120.51 1j39 s LEU 127 Ca 0.02 1.50 -0.20 0.00 -0.22 0.00 0.00 54.13 55.22 1j39 s LEU 127 Cb 0.04 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1j39 s LEU 127 CO 0.22 -1.06 0.63 -0.63 -1.32 0.00 0.00 176.35 174.18 1j39 s ILE 128 N 4.44 4.88 -0.47 6.68 1.01 -1.26 -4.66 121.20 131.81 1j39 s ILE 128 Ca 0.62 0.36 0.22 0.00 0.00 0.00 0.00 60.65 61.85 1j39 s ILE 128 Cb -0.21 -4.12 -0.20 0.00 0.01 0.00 0.00 42.46 37.94 1j39 s ILE 128 CO 0.24 -0.42 0.83 0.29 0.00 0.00 0.00 174.94 175.87 1j39 n LYS 129 N 6.11 0.38 -1.63 2.79 5.02 -1.26 -4.93 118.16 124.63 1j39 n LYS 129 Ca -0.02 -0.06 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 1j39 n LYS 129 Cb 0.48 -1.57 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1j39 n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1j39 n SER 130 N -2.03 1.84 -4.78 4.39 7.64 -1.26 -4.81 113.62 114.61 1j39 n SER 130 Ca 0.00 0.79 -0.34 0.00 1.01 0.00 0.00 58.87 60.34 1j39 n SER 130 Cb 0.47 -1.54 0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1j39 n SER 130 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j39 s PRO 131 N -3.44 3.17 -0.11 1.43 0.04 -1.26 -4.65 135.00 130.18 1j39 s PRO 131 Ca 0.81 1.42 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1j39 s PRO 131 Cb -0.37 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1j39 s PRO 131 CO 0.42 -0.96 -0.22 0.42 0.04 0.00 0.00 177.00 176.70 1j39 s ILE 132 N -2.14 2.16 -0.31 0.56 -1.09 -0.03 -2.00 121.20 118.35 1j39 s ILE 132 Ca 0.68 -0.97 -0.10 0.00 -2.23 0.00 0.00 60.65 58.04 1j39 s ILE 132 Cb -0.20 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.83 1j39 s ILE 132 CO 0.34 0.55 0.15 -0.75 -1.23 0.00 0.00 174.94 174.00 1j39 s LYS 133 N 0.47 3.29 -0.32 2.79 2.20 0.28 -1.67 119.74 126.78 1j39 s LYS 133 Ca -0.15 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.51 1j39 s LYS 133 Cb -0.17 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1j39 s LYS 133 CO 0.06 -0.43 0.64 0.08 -0.36 0.00 0.00 175.35 175.34 1j39 s VAL 134 N 1.60 4.91 -0.54 4.02 1.01 0.05 -0.42 120.40 131.04 1j39 s VAL 134 Ca 0.04 0.80 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1j39 s VAL 134 Cb -0.17 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.28 1j39 s VAL 134 CO 0.06 -0.20 0.55 -0.63 0.00 0.00 0.00 175.10 174.88 1j39 s ILE 135 N 2.67 5.07 -0.15 2.22 1.01 0.71 -1.71 121.20 131.02 1j39 s ILE 135 Ca 0.25 -1.18 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1j39 s ILE 135 Cb -0.15 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 1j39 s ILE 135 CO 0.13 -0.89 0.95 -0.55 0.00 0.00 0.00 174.94 174.57 1j39 s SER 136 N 3.35 7.12 0.50 3.58 0.15 0.32 -1.15 113.70 127.57 1j39 s SER 136 Ca 0.07 1.38 0.27 0.00 0.70 0.00 0.00 55.95 58.37 1j39 s SER 136 Cb -0.26 -2.52 1.29 0.00 -1.71 0.00 0.00 66.02 62.82 1j39 s SER 136 CO 0.05 -0.46 1.98 -0.61 1.20 0.00 0.00 173.24 175.41 1j39 h GLN 137 N 7.23 0.00 -6.32 5.44 4.15 -1.41 -1.10 115.11 123.11 1j39 h GLN 137 Ca -0.29 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.58 1j39 h GLN 137 Cb 1.13 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1j39 h GLN 137 CO 0.87 0.15 -0.04 0.20 -1.93 0.00 0.00 178.83 178.07 1j39 s GLY 138 N -4.23 2.56 0.41 2.39 0.00 -1.26 -4.46 107.32 102.73 1j39 s GLY 138 Ca -0.01 -0.03 0.22 0.00 0.00 0.00 0.00 44.72 44.90 1j39 s GLY 138 CO 0.59 0.32 1.76 0.16 0.00 0.00 0.00 173.10 175.93 1j39 h ILE 139 N 3.08 0.64 -2.65 0.90 3.07 -1.48 -3.41 117.51 117.66 1j39 h ILE 139 Ca -0.49 -1.31 -0.60 0.00 1.55 0.00 0.00 64.86 64.01 1j39 h ILE 139 Cb 1.20 1.87 -0.12 0.00 -0.27 0.00 0.00 36.82 39.50 1j39 h ILE 139 CO 0.65 0.27 0.70 0.21 -1.05 0.00 0.00 178.15 178.93 1j39 s ASN 140 N -6.27 6.20 0.51 2.16 3.84 -1.26 -4.88 114.94 115.24 1j39 s ASN 140 Ca 0.01 -0.74 0.31 0.00 0.21 0.00 0.00 52.86 52.65 1j39 s ASN 140 Cb 0.10 -2.46 1.12 0.00 -0.55 0.00 0.00 41.25 39.46 1j39 s ASN 140 CO 0.66 -1.53 1.89 -0.07 -2.79 0.00 0.00 177.10 175.26 1j39 h LEU 141 N 11.79 0.00 -0.99 3.21 3.38 -2.00 -2.87 115.31 127.83 1j39 h LEU 141 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1j39 h LEU 141 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1j39 h LEU 141 CO 1.20 0.00 -0.25 0.44 0.09 0.00 0.00 178.44 179.92 1j39 h ASP 142 N 0.00 0.43 -0.16 -0.43 3.32 -1.97 0.30 116.42 117.91 1j39 h ASP 142 Ca 0.00 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 1j39 h ASP 142 Cb 0.62 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1j39 h ASP 142 CO 0.00 0.68 -0.48 0.40 -1.72 0.00 0.00 179.24 178.12 1j39 h ILE 143 N 0.38 1.29 -0.51 0.35 2.04 -1.93 -0.98 117.51 118.16 1j39 h ILE 143 Ca 0.06 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.17 1j39 h ILE 143 Cb 0.64 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1j39 h ILE 143 CO 0.05 0.54 0.03 0.00 0.00 0.00 0.00 178.15 178.76 1j39 h ALA 144 N 0.89 0.68 -0.35 1.87 0.00 -1.40 -1.76 119.26 119.19 1j39 h ALA 144 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1j39 h ALA 144 Cb 1.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1j39 h ALA 144 CO 0.10 0.47 0.14 0.87 0.00 0.00 0.00 179.25 180.83 1j39 h LYS 145 N 0.75 0.52 -0.99 0.00 1.57 -0.80 -2.36 116.57 115.26 1j39 h LYS 145 Ca 0.15 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1j39 h LYS 145 Cb 0.48 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1j39 h LYS 145 CO 0.02 0.51 0.65 0.00 -0.57 0.00 0.00 179.45 180.07 1j39 h ALA 146 N 0.98 1.34 0.00 3.86 0.00 -1.06 -0.19 119.26 124.20 1j39 h ALA 146 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j39 h ALA 146 Cb 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1j39 h ALA 146 CO -0.01 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1j39 h ALA 147 N 1.41 1.22 -0.28 0.00 0.00 -1.00 -2.84 119.26 117.78 1j39 h ALA 147 Ca 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1j39 h ALA 147 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j39 h ALA 147 CO -0.11 0.24 0.00 0.72 0.00 0.00 0.00 179.25 180.10 1j39 n HIS 148 N -3.64 0.94 0.33 0.00 8.25 -0.51 -4.68 115.22 115.91 1j39 n HIS 148 Ca -0.01 -0.83 0.22 0.00 -0.26 0.00 0.00 57.72 56.84 1j39 n HIS 148 Cb 0.32 -0.29 1.17 0.00 1.12 0.00 0.00 29.99 32.31 1j39 n HIS 148 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1j39 h LYS 149 N 1.93 0.00 0.00 -0.41 2.10 -0.82 -1.05 116.57 118.31 1j39 h LYS 149 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j39 h LYS 149 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1j39 h LYS 149 CO 0.21 0.00 -0.28 1.63 -2.00 0.00 0.00 179.45 179.01 1j39 n LYS 150 N -3.17 0.09 -2.36 0.07 4.01 -1.26 -4.84 118.16 110.70 1j39 n LYS 150 Ca -0.03 0.04 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 1j39 n LYS 150 Cb 0.08 -1.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 1j39 n LYS 150 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1j39 s VAL 151 N -3.04 3.97 -0.64 -0.18 1.01 -0.40 -4.91 120.40 116.21 1j39 s VAL 151 Ca 0.11 1.36 0.23 0.00 0.00 0.00 0.00 61.98 63.68 1j39 s VAL 151 Cb 0.17 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1j39 s VAL 151 CO 0.63 0.03 1.08 0.47 0.00 0.00 0.00 175.10 177.31 1j39 n ASP 152 N 4.87 0.63 -4.68 3.32 9.92 -1.26 -4.95 116.55 124.39 1j39 n ASP 152 Ca 0.11 -0.19 -0.31 0.00 -0.53 0.00 0.00 54.79 53.87 1j39 n ASP 152 Cb 0.45 0.70 0.16 0.00 -0.64 0.00 0.00 41.12 41.79 1j39 n ASP 152 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1j39 s ASN 153 N -3.89 3.08 0.33 -2.24 -0.87 -1.26 -4.92 114.94 105.16 1j39 s ASN 153 Ca 0.04 2.15 -0.29 0.00 -1.57 0.00 0.00 52.86 53.20 1j39 s ASN 153 Cb 0.14 -2.56 -0.10 0.00 -0.02 0.00 0.00 41.25 38.71 1j39 s ASN 153 CO 0.79 -3.00 1.30 -0.69 -2.57 0.00 0.00 177.10 172.93 1j39 s VAL 154 N -2.68 2.75 -0.09 1.60 1.01 -1.26 -4.89 120.40 116.84 1j39 s VAL 154 Ca 0.66 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 1j39 s VAL 154 Cb -0.22 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1j39 s VAL 154 CO 0.58 0.18 0.44 -0.51 0.00 0.00 0.00 175.10 175.79 1j39 s ILE 155 N -1.10 0.02 0.18 2.22 2.07 -1.26 -0.85 121.20 122.48 1j39 s ILE 155 Ca 0.49 -0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.57 1j39 s ILE 155 Cb -0.39 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.45 1j39 s ILE 155 CO 0.52 -0.10 -0.00 -1.83 -1.91 0.00 0.00 174.94 171.62 1j39 s GLU 156 N -0.60 1.15 0.03 3.50 -1.05 -0.67 -4.98 118.70 116.08 1j39 s GLU 156 Ca -0.07 -1.56 0.02 0.00 -0.15 0.00 0.00 54.97 53.21 1j39 s GLU 156 Cb -0.03 -0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.29 1j39 s GLU 156 CO 0.04 -0.12 -0.07 -0.06 0.95 0.00 0.00 175.26 175.99 1j39 s PHE 157 N -3.60 0.64 -0.22 4.83 0.40 -1.26 -0.77 117.98 118.01 1j39 s PHE 157 Ca 0.25 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 1j39 s PHE 157 Cb 0.06 -0.39 0.06 0.00 0.51 0.00 0.00 43.02 43.26 1j39 s PHE 157 CO 0.05 -0.06 0.57 -2.00 0.70 0.00 0.00 175.22 174.47 1j39 s GLU 158 N -1.24 0.65 0.10 0.44 2.12 -0.69 -4.97 118.70 115.11 1j39 s GLU 158 Ca -0.07 0.82 -0.24 0.00 0.36 0.00 0.00 54.97 55.84 1j39 s GLU 158 Cb -0.08 0.29 -0.07 0.00 0.26 0.00 0.00 34.13 34.53 1j39 s GLU 158 CO 0.00 -0.09 0.73 -0.47 -0.54 0.00 0.00 175.26 174.90 1j39 s TYR 159 N 0.47 3.82 -0.22 5.30 5.04 -1.26 -0.52 117.35 129.98 1j39 s TYR 159 Ca -0.01 1.50 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 1j39 s TYR 159 Cb -0.04 -2.74 0.08 0.00 0.35 0.00 0.00 41.96 39.60 1j39 s TYR 159 CO -0.02 0.43 0.51 0.12 -1.34 0.00 0.00 175.55 175.25 1j39 s PHE 160 N -0.69 -0.83 -1.05 4.97 5.36 -0.41 -4.90 117.98 120.43 1j39 s PHE 160 Ca 0.35 1.66 -0.20 0.00 -0.96 0.00 0.00 56.93 57.78 1j39 s PHE 160 Cb -0.21 0.42 -0.08 0.00 -0.34 0.00 0.00 43.02 42.81 1j39 s PHE 160 CO 0.23 -0.45 2.00 -0.35 -1.46 0.00 0.00 175.22 175.20 1j39 n PRO 161 N 4.56 2.02 -0.29 10.12 -0.04 -1.26 -3.88 135.00 146.23 1j39 n PRO 161 Ca -0.19 -2.23 0.08 0.00 -0.04 0.00 0.00 63.50 61.11 1j39 n PRO 161 Cb 0.55 -3.15 0.23 0.00 -0.04 0.00 0.00 33.50 31.08 1j39 n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1j39 h ILE 162 N 4.60 0.69 0.00 0.52 2.04 -1.89 -2.62 117.51 120.85 1j39 h ILE 162 Ca 0.44 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1j39 h ILE 162 Cb 0.70 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1j39 h ILE 162 CO 1.83 0.10 0.02 -1.84 0.00 0.00 0.00 178.15 178.26 1j39 n GLU 163 N -4.91 0.03 0.00 2.37 0.00 -1.26 -2.17 120.64 114.69 1j39 n GLU 163 Ca 0.17 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.96 1j39 n GLU 163 Cb 0.46 -1.61 0.66 0.00 0.00 0.00 0.00 31.44 30.95 1j39 n GLU 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1j39 n GLN 164 N -1.64 0.65 0.18 3.44 6.02 -0.99 -3.43 117.38 121.61 1j39 n GLN 164 Ca -0.00 0.01 0.15 0.00 -0.01 0.00 0.00 57.00 57.15 1j39 n GLN 164 Cb 0.02 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 30.54 1j39 n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1j39 h TYR 165 N 0.00 0.00 -0.01 1.08 -0.00 -1.69 -2.05 116.97 114.30 1j39 h TYR 165 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 1j39 h TYR 165 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.76 1j39 h TYR 165 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 178.16 177.94 1j39 h LYS 166 N 0.00 0.01 0.00 0.10 3.11 -1.86 -2.38 116.57 115.55 1j39 h LYS 166 Ca 0.09 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1j39 h LYS 166 Cb 0.43 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1j39 h LYS 166 CO -0.00 0.09 -0.06 -0.84 -2.81 0.00 0.00 179.45 175.83 1j39 h ILE 167 N -0.07 0.10 -0.01 2.00 3.07 -1.67 -3.23 117.51 117.70 1j39 h ILE 167 Ca 0.00 -1.09 0.00 0.00 1.55 0.00 0.00 64.86 65.32 1j39 h ILE 167 Cb 0.08 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1j39 h ILE 167 CO -0.00 0.05 -0.37 1.41 -1.05 0.00 0.00 178.15 178.19 1j39 n HIS 168 N -3.12 0.00 -1.78 0.16 8.25 -0.88 -4.81 115.22 113.04 1j39 n HIS 168 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1j39 n HIS 168 Cb 0.53 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.51 1j39 n HIS 168 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1j39 s MET 169 N -2.67 3.70 0.37 -0.41 1.75 -0.91 -4.88 119.30 116.27 1j39 s MET 169 Ca 0.19 2.45 0.10 0.00 -1.25 0.00 0.00 55.69 57.18 1j39 s MET 169 Cb 0.19 -2.68 0.85 0.00 2.84 0.00 0.00 34.83 36.03 1j39 s MET 169 CO 0.59 -0.81 1.90 -0.91 -0.65 0.00 0.00 175.02 175.14 1j39 h ASN 170 N 2.36 0.60 -0.31 1.11 -0.26 -1.92 -2.33 115.58 114.82 1j39 h ASN 170 Ca -0.51 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1j39 h ASN 170 Cb 1.26 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1j39 h ASN 170 CO 0.61 0.32 0.00 -0.90 -1.06 0.00 0.00 177.43 176.41 1j39 n ASP 171 N -4.52 2.72 -4.76 5.81 5.68 -1.26 -4.96 116.55 115.25 1j39 n ASP 171 Ca 0.15 -2.26 -0.41 0.00 -0.50 0.00 0.00 54.79 51.77 1j39 n ASP 171 Cb 0.43 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.94 1j39 n ASP 171 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1j39 s PHE 172 N -1.71 3.08 -0.13 2.11 2.19 -0.88 -5.03 117.98 117.61 1j39 s PHE 172 Ca 0.25 1.33 -0.10 0.00 0.33 0.00 0.00 56.93 58.74 1j39 s PHE 172 Cb 0.17 -3.68 0.04 0.00 -1.31 0.00 0.00 43.02 38.23 1j39 s PHE 172 CO 0.11 -1.96 0.33 -0.65 1.83 0.00 0.00 175.22 174.88 1j39 s GLN 173 N -1.34 0.36 0.60 10.12 -0.21 -1.26 -5.07 119.66 122.86 1j39 s GLN 173 Ca 0.51 0.50 -0.18 0.00 0.02 0.00 0.00 55.36 56.22 1j39 s GLN 173 Cb -0.39 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.71 1j39 s GLN 173 CO 0.49 -0.07 1.18 -0.51 -2.12 0.00 0.00 175.29 174.26 1j39 s LEU 174 N 0.44 3.62 0.51 2.90 1.43 -1.26 -4.99 118.68 121.34 1j39 s LEU 174 Ca -0.02 2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 1j39 s LEU 174 Cb -0.04 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.52 1j39 s LEU 174 CO -0.02 -1.59 1.06 -0.44 0.23 0.00 0.00 176.35 175.59 1j39 s SER 175 N -1.78 6.15 0.38 2.29 0.01 -0.06 -5.04 113.70 115.65 1j39 s SER 175 Ca 0.75 1.96 0.04 0.00 1.31 0.00 0.00 55.95 60.01 1j39 s SER 175 Cb -0.28 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 1j39 s SER 175 CO 0.34 -0.92 0.55 -0.54 0.41 0.00 0.00 173.24 173.08 1j39 s LYS 176 N -3.36 3.14 0.12 12.44 1.02 -1.26 -4.59 119.74 127.25 1j39 s LYS 176 Ca 0.68 -0.74 -0.35 0.00 0.02 0.00 0.00 55.97 55.57 1j39 s LYS 176 Cb -0.18 -2.71 -0.16 0.00 -0.52 0.00 0.00 37.83 34.26 1j39 s LYS 176 CO 0.23 -0.05 1.30 -2.30 -0.92 0.00 0.00 175.35 173.62 1j39 n PRO 177 N -1.81 1.23 -4.52 -1.68 -0.02 -1.26 -4.70 135.00 122.23 1j39 n PRO 177 Ca -0.00 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1j39 n PRO 177 Cb 0.58 -2.05 -0.14 0.00 -0.02 0.00 0.00 33.50 31.87 1j39 n PRO 177 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1j39 s THR 178 N 0.28 1.22 0.28 3.45 2.01 -1.26 -5.11 115.64 116.51 1j39 s THR 178 Ca 0.80 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1j39 s THR 178 Cb -0.90 -1.06 -0.11 0.00 0.01 0.00 0.00 72.50 70.44 1j39 s THR 178 CO 0.48 0.16 1.57 -0.54 -0.69 0.00 0.00 174.62 175.59 1j39 s LYS 179 N -0.85 4.15 -0.21 4.92 1.02 -1.26 -4.94 119.74 122.57 1j39 s LYS 179 Ca 0.04 2.52 -0.17 0.00 0.02 0.00 0.00 55.97 58.39 1j39 s LYS 179 Cb -0.07 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1j39 s LYS 179 CO 0.01 -0.59 0.45 0.15 -0.92 0.00 0.00 175.35 174.44 1j39 s LYS 180 N -0.45 4.15 0.00 1.68 -0.14 -1.26 -4.69 119.74 119.03 1j39 s LYS 180 Ca 0.63 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.50 1j39 s LYS 180 Cb -0.47 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.11 1j39 s LYS 180 CO 0.47 -0.13 0.28 0.25 -0.76 0.00 0.00 175.35 175.45 1j39 n THR 181 N 4.58 0.00 -4.17 2.17 -2.24 -0.66 -5.04 114.28 108.92 1j39 n THR 181 Ca -0.07 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1j39 n THR 181 Cb 0.51 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 1j39 n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j39 s LEU 182 N -0.56 2.39 -0.18 3.22 1.43 -1.08 -5.03 118.68 118.87 1j39 s LEU 182 Ca 0.00 -0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 1j39 s LEU 182 Cb 0.00 -0.30 -0.15 0.00 0.03 0.00 0.00 46.19 45.76 1j39 s LEU 182 CO 0.00 -0.25 0.20 0.44 0.23 0.00 0.00 176.35 176.97 1j39 h ASP 183 N 3.65 0.00 -4.41 2.29 3.32 -1.33 -1.72 116.42 118.22 1j39 h ASP 183 Ca -0.37 -0.44 -0.33 0.00 0.02 0.00 0.00 57.03 55.91 1j39 h ASP 183 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 1j39 h ASP 183 CO 0.52 1.19 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.78 1j39 s VAL 184 N -2.26 0.64 0.02 -1.35 1.01 -1.10 -1.45 120.40 115.91 1j39 s VAL 184 Ca -0.22 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1j39 s VAL 184 Cb 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1j39 s VAL 184 CO 0.48 -0.15 -0.03 -0.51 0.00 0.00 0.00 175.10 174.90 1j39 s ILE 185 N -0.89 0.11 -0.11 2.22 2.07 -0.78 -2.02 121.20 121.79 1j39 s ILE 185 Ca -0.04 -0.87 -0.05 0.00 -1.41 0.00 0.00 60.65 58.28 1j39 s ILE 185 Cb -0.07 -0.25 0.05 0.00 0.13 0.00 0.00 42.46 42.32 1j39 s ILE 185 CO 0.00 -0.48 0.25 -0.47 -1.91 0.00 0.00 174.94 172.33 1j39 s TYR 186 N -1.40 -0.35 -0.17 3.50 5.04 -0.61 -2.43 117.35 120.92 1j39 s TYR 186 Ca -0.15 0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1j39 s TYR 186 Cb -0.10 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.23 1j39 s TYR 186 CO -0.01 -0.27 -0.15 0.20 -1.34 0.00 0.00 175.55 173.98 1j39 s GLY 187 N 1.64 1.46 0.00 8.97 0.00 -1.26 -0.76 107.32 117.37 1j39 s GLY 187 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1j39 s GLY 187 CO -0.08 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1j39 n GLY 188 N 4.33 -0.88 3.71 0.20 0.00 0.65 -4.96 105.19 108.24 1j39 n GLY 188 Ca -0.20 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1j39 n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j39 s SER 189 N -4.00 4.50 0.45 1.61 1.04 -1.26 -2.52 113.70 113.52 1j39 s SER 189 Ca 0.00 -0.90 0.23 0.00 0.48 0.00 0.00 55.95 55.76 1j39 s SER 189 Cb 0.00 -0.61 1.01 0.00 0.10 0.00 0.00 66.02 66.51 1j39 s SER 189 CO 0.00 -0.35 1.87 0.15 0.98 0.00 0.00 173.24 175.89 1j39 h PHE 190 N 1.57 0.00 -6.46 5.02 3.57 -1.95 -3.46 116.94 115.23 1j39 h PHE 190 Ca -0.43 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.58 1j39 h PHE 190 Cb 1.25 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.00 1j39 h PHE 190 CO 0.64 0.24 -0.93 0.54 -2.23 0.00 0.00 178.31 176.57 1j39 n ARG 191 N -3.52 -1.87 -2.32 1.11 1.74 -1.26 -1.67 116.66 108.86 1j39 n ARG 191 Ca -0.01 0.37 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1j39 n ARG 191 Cb 0.39 -4.04 -0.01 0.00 -1.02 0.00 0.00 32.46 27.79 1j39 n ARG 191 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1j39 n SER 192 N -2.73 -3.80 -0.99 0.55 7.64 -1.26 -1.36 113.62 111.68 1j39 n SER 192 Ca -0.19 0.21 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 1j39 n SER 192 Cb 0.63 -3.26 -0.06 0.00 -1.01 0.00 0.00 64.21 60.51 1j39 n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j39 n GLY 193 N -0.74 1.36 0.05 0.23 0.00 -0.67 -4.87 105.19 100.55 1j39 n GLY 193 Ca -0.14 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1j39 n GLY 193 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j39 n GLN 194 N -2.42 0.08 -0.29 1.61 6.02 -0.46 -2.80 117.38 119.12 1j39 n GLN 194 Ca -0.13 0.30 0.05 0.00 -0.01 0.00 0.00 57.00 57.20 1j39 n GLN 194 Cb 0.45 -1.64 0.07 0.00 1.02 0.00 0.00 30.24 30.14 1j39 n GLN 194 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1j39 n ARG 195 N -1.78 0.62 -0.23 -1.09 1.74 -1.26 -4.87 116.66 109.79 1j39 n ARG 195 Ca 0.03 -1.75 -0.00 0.00 -0.77 0.00 0.00 57.85 55.36 1j39 n ARG 195 Cb 0.21 -0.98 0.11 0.00 -1.02 0.00 0.00 32.46 30.78 1j39 n ARG 195 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1j39 h GLU 196 N 0.00 0.57 -0.36 5.56 4.81 -1.82 -0.77 114.58 122.56 1j39 h GLU 196 Ca 0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1j39 h GLU 196 Cb 1.20 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1j39 h GLU 196 CO 0.00 0.38 0.21 1.03 -0.73 0.00 0.00 179.01 179.90 1j39 h SER 197 N 0.59 0.34 -0.40 1.04 0.87 -1.89 -0.13 113.55 113.96 1j39 h SER 197 Ca 0.31 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.79 1j39 h SER 197 Cb 0.29 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1j39 h SER 197 CO -0.23 0.25 -0.10 0.11 -0.53 0.00 0.00 176.83 176.33 1j39 h LYS 198 N 0.43 0.78 -0.72 2.24 1.79 -1.85 -0.94 116.57 118.30 1j39 h LYS 198 Ca 0.14 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1j39 h LYS 198 Cb 0.01 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1j39 h LYS 198 CO -0.07 0.91 0.41 0.52 -1.08 0.00 0.00 179.45 180.14 1j39 h MET 199 N 0.59 1.00 -0.48 3.15 2.86 -0.92 -0.61 114.93 120.52 1j39 h MET 199 Ca 0.10 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1j39 h MET 199 Cb 0.62 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1j39 h MET 199 CO 0.04 0.73 -0.21 0.28 1.06 0.00 0.00 176.91 178.82 1j39 h VAL 200 N 0.99 1.27 0.04 -2.22 2.07 -0.93 0.93 116.25 118.41 1j39 h VAL 200 Ca 0.26 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1j39 h VAL 200 Cb 0.01 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1j39 h VAL 200 CO -0.04 0.47 -0.03 -0.08 0.02 0.00 0.00 177.57 177.91 1j39 h GLU 201 N 0.83 -0.07 0.00 1.57 4.57 -0.74 -2.78 114.58 117.96 1j39 h GLU 201 Ca 0.11 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1j39 h GLU 201 Cb 0.78 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1j39 h GLU 201 CO 0.06 -0.05 -1.22 0.74 -1.18 0.00 0.00 179.01 177.37 1j39 h PHE 202 N -0.07 0.00 0.00 0.92 0.04 -1.12 -3.38 116.94 113.33 1j39 h PHE 202 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j39 h PHE 202 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1j39 h PHE 202 CO -0.08 0.34 -0.92 1.28 -0.60 0.00 0.00 178.31 178.32 1j39 n LEU 203 N -2.81 0.24 -4.77 1.54 4.77 0.32 -4.92 117.00 111.37 1j39 n LEU 203 Ca -0.05 -0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.38 1j39 n LEU 203 Cb 0.72 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 1j39 n LEU 203 CO 0.42 0.06 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.92 1j39 s PHE 204 N -2.27 3.13 -1.20 -1.77 0.40 -1.05 -4.02 117.98 111.20 1j39 s PHE 204 Ca 0.00 0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1j39 s PHE 204 Cb 0.07 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 42.11 1j39 s PHE 204 CO 0.40 0.52 0.40 -0.25 0.70 0.00 0.00 175.22 176.99 1j39 n ASP 205 N 0.10 -3.54 0.12 1.36 8.00 -0.42 -4.82 116.55 117.35 1j39 n ASP 205 Ca -0.09 -0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.24 1j39 n ASP 205 Cb 0.53 -2.95 0.04 0.00 -0.02 0.00 0.00 41.12 38.72 1j39 n ASP 205 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1j39 h THR 206 N -0.79 0.00 0.00 -3.53 1.35 -1.86 -3.47 112.91 104.60 1j39 h THR 206 Ca -0.39 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1j39 h THR 206 Cb 1.27 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1j39 h THR 206 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1j39 n GLY 207 N 1.18 0.67 3.96 5.82 0.00 -1.26 -4.97 105.19 110.59 1j39 n GLY 207 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1j39 n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j39 s LEU 208 N 0.00 3.64 -0.73 0.99 1.43 -1.26 -5.05 118.68 117.70 1j39 s LEU 208 Ca 0.00 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 1j39 s LEU 208 Cb 0.00 -2.48 0.11 0.00 0.03 0.00 0.00 46.19 43.85 1j39 s LEU 208 CO 0.00 -0.63 0.92 0.21 0.23 0.00 0.00 176.35 177.08 1j39 s ASN 209 N -4.23 6.35 0.02 2.29 2.47 -1.26 -5.01 114.94 115.57 1j39 s ASN 209 Ca 0.50 -1.54 0.06 0.00 0.42 0.00 0.00 52.86 52.30 1j39 s ASN 209 Cb -0.08 -2.37 -0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1j39 s ASN 209 CO 0.31 -1.18 -0.16 -0.63 -3.72 0.00 0.00 177.10 171.72 1j39 s ILE 210 N 3.01 2.94 -0.02 -5.21 1.01 -1.26 -0.87 121.20 120.79 1j39 s ILE 210 Ca 0.22 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1j39 s ILE 210 Cb -0.15 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1j39 s ILE 210 CO 0.02 0.39 -0.15 -0.70 0.00 0.00 0.00 174.94 174.49 1j39 s GLU 211 N -1.32 1.32 -0.27 2.79 2.12 -0.86 -1.77 118.70 120.72 1j39 s GLU 211 Ca 0.14 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1j39 s GLU 211 Cb -0.11 -1.24 0.06 0.00 0.26 0.00 0.00 34.13 33.10 1j39 s GLU 211 CO 0.05 0.29 -0.08 0.12 -0.54 0.00 0.00 175.26 175.10 1j39 s PHE 212 N -0.23 3.30 0.11 5.30 2.19 0.43 -1.58 117.98 127.50 1j39 s PHE 212 Ca 0.03 -2.28 0.04 0.00 0.33 0.00 0.00 56.93 55.05 1j39 s PHE 212 Cb -0.07 -2.02 -0.04 0.00 -1.31 0.00 0.00 43.02 39.58 1j39 s PHE 212 CO 0.00 -0.87 0.09 -0.59 1.83 0.00 0.00 175.22 175.69 1j39 s PHE 213 N 1.12 3.16 -1.69 10.12 -0.71 0.06 -1.46 117.98 128.58 1j39 s PHE 213 Ca -0.07 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 1j39 s PHE 213 Cb -0.20 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.04 1j39 s PHE 213 CO -0.04 0.52 0.00 0.41 -1.34 0.00 0.00 175.22 174.76 1j39 n GLY 214 N 0.17 0.53 0.22 1.99 0.00 -0.99 -0.25 105.19 106.86 1j39 n GLY 214 Ca -0.09 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.07 1j39 n GLY 214 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j39 h ASN 215 N 0.00 0.00 -4.05 1.61 2.35 -1.79 -3.29 115.58 110.41 1j39 h ASN 215 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1j39 h ASN 215 Cb 0.00 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.49 1j39 h ASN 215 CO 0.00 0.00 0.56 0.00 -1.65 0.00 0.00 177.43 176.34 1j39 s ALA 216 N -3.42 2.76 0.03 -0.83 0.00 -1.24 -4.80 121.76 114.26 1j39 s ALA 216 Ca 0.04 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.23 1j39 s ALA 216 Cb 0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1j39 s ALA 216 CO 0.57 -1.25 -0.07 1.03 0.00 0.00 0.00 175.76 176.04 1j39 s ARG 217 N -2.98 0.48 0.40 0.00 0.52 -1.26 -4.78 118.95 111.32 1j39 s ARG 217 Ca 0.72 -0.63 0.11 0.00 -0.52 0.00 0.00 55.73 55.41 1j39 s ARG 217 Cb -0.37 -0.27 0.92 0.00 0.52 0.00 0.00 34.95 35.75 1j39 s ARG 217 CO 0.42 0.05 1.96 1.49 0.02 0.00 0.00 175.30 179.25 1j39 h GLU 218 N 4.82 0.53 0.00 3.54 4.81 -1.96 -1.71 114.58 124.60 1j39 h GLU 218 Ca -0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1j39 h GLU 218 Cb 1.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j39 h GLU 218 CO 0.43 0.35 0.00 1.57 -0.73 0.00 0.00 179.01 180.63 1j39 h LYS 219 N 0.55 0.00 0.00 1.92 2.10 -2.03 -2.31 116.57 116.80 1j39 h LYS 219 Ca 0.30 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.91 1j39 h LYS 219 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1j39 h LYS 219 CO -0.10 0.00 -0.19 1.96 -2.00 0.00 0.00 179.45 179.12 1j39 h GLN 220 N 0.00 0.00 -4.69 0.07 4.20 -1.73 -3.38 115.11 109.58 1j39 h GLN 220 Ca 0.00 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 57.97 1j39 h GLN 220 Cb 0.19 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.81 1j39 h GLN 220 CO 0.00 0.19 1.50 1.19 -0.67 0.00 0.00 178.83 181.04 1j39 n PHE 221 N -3.18 4.73 -0.79 2.96 3.01 -0.87 -4.64 117.46 118.68 1j39 n PHE 221 Ca 0.02 -3.26 0.03 0.00 1.01 0.00 0.00 57.45 55.25 1j39 n PHE 221 Cb 0.56 -2.20 0.04 0.00 -0.01 0.00 0.00 39.48 37.88 1j39 n PHE 221 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1j39 n LYS 222 N 5.63 1.52 -2.36 -1.08 2.85 -1.26 -5.02 118.16 118.44 1j39 n LYS 222 Ca 0.38 -1.59 -0.43 0.00 -1.05 0.00 0.00 58.31 55.63 1j39 n LYS 222 Cb 0.42 -1.00 -0.02 0.00 -0.65 0.00 0.00 35.03 33.78 1j39 n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1j39 s ASN 223 N -1.41 6.82 0.62 -5.58 3.84 -1.26 -4.89 114.94 113.09 1j39 s ASN 223 Ca 0.10 1.66 0.33 0.00 0.21 0.00 0.00 52.86 55.15 1j39 s ASN 223 Cb 0.09 -2.54 1.90 0.00 -0.55 0.00 0.00 41.25 40.15 1j39 s ASN 223 CO 0.01 -0.87 2.20 1.55 -2.79 0.00 0.00 177.10 177.20 1j39 h PRO 224 N 8.73 0.00 0.00 0.43 0.13 -2.02 -2.02 132.00 137.25 1j39 h PRO 224 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1j39 h PRO 224 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1j39 h PRO 224 CO 0.98 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.53 1j39 h LYS 225 N 0.00 0.00 -3.09 0.86 1.57 -2.03 -3.31 116.57 110.56 1j39 h LYS 225 Ca 0.03 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.19 1j39 h LYS 225 Cb 0.22 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.11 1j39 h LYS 225 CO -0.00 0.09 -0.58 0.71 -0.57 0.00 0.00 179.45 179.10 1j39 s TYR 226 N -4.27 3.54 0.50 -1.35 2.02 -0.76 -5.10 117.35 111.93 1j39 s TYR 226 Ca -0.03 -3.33 -0.22 0.00 -0.37 0.00 0.00 57.07 53.12 1j39 s TYR 226 Cb 0.13 -2.70 -0.06 0.00 -0.40 0.00 0.00 41.96 38.93 1j39 s TYR 226 CO 0.57 -0.55 1.22 -1.25 -1.57 0.00 0.00 175.55 173.96 1j39 s PRO 227 N -1.41 3.52 0.13 -1.71 0.04 -1.25 -4.82 135.00 129.50 1j39 s PRO 227 Ca 0.25 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.96 1j39 s PRO 227 Cb -0.05 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.23 1j39 s PRO 227 CO -0.16 -0.78 0.53 1.67 0.04 0.00 0.00 177.00 178.30 1j39 s TRP 228 N -1.50 -0.42 -0.13 0.56 1.48 -1.26 -5.02 118.94 112.64 1j39 s TRP 228 Ca 0.67 0.23 -0.08 0.00 -1.06 0.00 0.00 56.10 55.87 1j39 s TRP 228 Cb -0.31 0.43 -0.06 0.00 -1.16 0.00 0.00 33.47 32.37 1j39 s TRP 228 CO 0.37 -0.77 -0.19 2.41 -4.06 0.00 0.00 176.95 174.72 1j39 n THR 229 N -0.18 0.90 -5.21 0.66 -1.04 -1.26 -5.02 114.28 103.13 1j39 n THR 229 Ca -0.17 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.05 61.39 1j39 n THR 229 Cb 0.64 -1.75 -0.17 0.00 -1.82 0.00 0.00 70.33 67.23 1j39 n THR 229 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1j39 s LYS 230 N -2.30 2.89 0.33 -2.82 1.02 -1.26 -5.04 119.74 112.56 1j39 s LYS 230 Ca -0.20 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 54.98 1j39 s LYS 230 Cb 0.07 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1j39 s LYS 230 CO 0.25 0.26 0.40 0.00 -0.92 0.00 0.00 175.35 175.34 1j39 s ALA 231 N 0.16 4.08 0.96 5.17 0.00 -1.26 -1.30 121.76 129.56 1j39 s ALA 231 Ca -0.13 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.17 1j39 s ALA 231 Cb -0.16 -1.50 0.17 0.00 0.00 0.00 0.00 23.12 21.63 1j39 s ALA 231 CO 0.07 -0.00 1.17 -1.25 0.00 0.00 0.00 175.76 175.74 1j39 s PRO 232 N -4.10 0.75 -0.02 0.00 0.04 -1.26 -4.91 135.00 125.50 1j39 s PRO 232 Ca 0.43 0.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.31 1j39 s PRO 232 Cb -0.08 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1j39 s PRO 232 CO 0.29 -2.43 0.82 0.08 0.04 0.00 0.00 177.00 175.80 1j39 s VAL 233 N -3.36 4.93 -0.20 -0.36 1.01 -0.73 -4.87 120.40 116.82 1j39 s VAL 233 Ca 0.66 1.71 -0.09 0.00 0.00 0.00 0.00 61.98 64.26 1j39 s VAL 233 Cb -0.12 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1j39 s VAL 233 CO 0.53 0.24 0.11 -0.36 0.00 0.00 0.00 175.10 175.62 1j39 s PHE 234 N 0.74 3.36 0.33 5.22 0.40 -1.26 -0.43 117.98 126.34 1j39 s PHE 234 Ca 0.43 0.25 0.09 0.00 -0.60 0.00 0.00 56.93 57.10 1j39 s PHE 234 Cb -0.19 -2.14 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 1j39 s PHE 234 CO 0.23 0.24 -0.08 0.95 0.70 0.00 0.00 175.22 177.25 1j39 s THR 235 N 0.41 2.08 1.14 0.64 -4.23 -0.53 -4.96 115.64 110.19 1j39 s THR 235 Ca 0.07 -2.18 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 1j39 s THR 235 Cb -0.12 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.39 1j39 s THR 235 CO -0.01 -0.22 1.04 -0.83 -0.54 0.00 0.00 174.62 174.06 1j39 s GLY 236 N -3.57 1.54 0.44 3.99 0.00 -1.26 -2.34 107.32 106.11 1j39 s GLY 236 Ca 0.32 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.47 1j39 s GLY 236 CO 0.15 0.38 1.06 0.54 0.00 0.00 0.00 173.10 175.24 1j39 s LYS 237 N -4.74 3.98 0.24 2.90 1.02 -1.24 -3.10 119.74 118.79 1j39 s LYS 237 Ca 0.68 1.49 0.04 0.00 0.02 0.00 0.00 55.97 58.20 1j39 s LYS 237 Cb -0.21 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1j39 s LYS 237 CO 0.61 -0.30 -0.00 0.96 -0.92 0.00 0.00 175.35 175.70 1j39 s ILE 238 N -1.76 1.07 0.55 2.17 -4.36 -1.26 -4.95 121.20 112.66 1j39 s ILE 238 Ca 0.62 -2.04 -0.22 0.00 -0.26 0.00 0.00 60.65 58.76 1j39 s ILE 238 Cb -0.21 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 1j39 s ILE 238 CO 0.26 -0.31 1.35 -2.65 0.24 0.00 0.00 174.94 173.83 1j39 n PRO 239 N -0.43 1.67 -0.31 0.37 -0.02 -1.26 -4.90 135.00 130.11 1j39 n PRO 239 Ca -0.05 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1j39 n PRO 239 Cb 0.64 -2.57 0.26 0.00 -0.02 0.00 0.00 33.50 31.81 1j39 n PRO 239 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1j39 h MET 240 N 1.40 0.94 0.00 -0.52 2.86 -1.96 -0.76 114.93 116.89 1j39 h MET 240 Ca -0.51 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1j39 h MET 240 Cb 1.31 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1j39 h MET 240 CO 0.57 0.62 0.00 0.27 1.06 0.00 0.00 176.91 179.43 1j39 n ASN 241 N -4.53 0.00 -0.03 1.22 6.94 -1.26 -2.40 115.26 115.20 1j39 n ASN 241 Ca 0.15 -1.44 0.01 0.00 -0.02 0.00 0.00 54.58 53.28 1j39 n ASN 241 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1j39 n ASN 241 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1j39 n MET 242 N -0.57 1.37 -0.05 -3.83 2.81 -0.30 -4.79 117.12 111.76 1j39 n MET 242 Ca 0.03 -0.41 -0.09 0.00 -1.81 0.00 0.00 57.70 55.42 1j39 n MET 242 Cb 0.01 -0.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.61 1j39 n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j39 h VAL 243 N 0.17 0.98 -0.54 2.03 2.07 -1.43 -0.52 116.25 119.02 1j39 h VAL 243 Ca 0.00 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1j39 h VAL 243 Cb 0.04 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1j39 h VAL 243 CO 0.00 0.04 0.05 0.28 0.02 0.00 0.00 177.57 177.96 1j39 h SER 244 N 0.22 0.84 -0.44 0.57 0.02 -1.81 0.83 113.55 113.78 1j39 h SER 244 Ca 0.09 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1j39 h SER 244 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1j39 h SER 244 CO -0.07 0.87 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.39 1j39 h GLU 245 N 0.83 0.86 -0.28 3.45 4.81 -1.82 -1.87 114.58 120.57 1j39 h GLU 245 Ca 0.17 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1j39 h GLU 245 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1j39 h GLU 245 CO 0.01 0.88 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.90 1j39 h LYS 246 N 0.80 0.52 -0.60 1.92 1.63 -0.58 -2.83 116.57 117.43 1j39 h LYS 246 Ca 0.15 -0.19 0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1j39 h LYS 246 Cb 0.51 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1j39 h LYS 246 CO 0.03 0.72 0.40 -0.91 -3.45 0.00 0.00 179.45 176.23 1j39 h ASN 247 N 0.28 0.46 0.13 4.20 2.35 -0.63 -2.35 115.58 120.02 1j39 h ASN 247 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1j39 h ASN 247 Cb 0.52 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1j39 h ASN 247 CO 0.02 0.30 0.00 -1.20 -1.65 0.00 0.00 177.43 174.90 1j39 n SER 248 N -4.48 0.30 0.09 5.81 7.64 -0.72 -1.81 113.62 120.46 1j39 n SER 248 Ca 0.09 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.72 1j39 n SER 248 Cb 0.28 -0.67 0.45 0.00 -1.01 0.00 0.00 64.21 63.26 1j39 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j39 n GLN 249 N -1.89 0.19 -4.14 1.43 6.02 -0.89 -4.61 117.38 113.49 1j39 n GLN 249 Ca -0.00 0.26 -0.24 0.00 -0.01 0.00 0.00 57.00 57.00 1j39 n GLN 249 Cb 0.05 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 1j39 n GLN 249 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j39 s ALA 250 N -3.15 3.47 0.13 -1.58 0.00 -0.75 -1.65 121.76 118.23 1j39 s ALA 250 Ca 0.09 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1j39 s ALA 250 Cb 0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1j39 s ALA 250 CO 0.51 0.38 1.66 0.82 0.00 0.00 0.00 175.76 179.13 1j39 h ILE 251 N 1.89 1.20 -3.98 0.00 1.08 -1.17 -3.37 117.51 113.16 1j39 h ILE 251 Ca -0.47 -0.63 -0.21 0.00 -0.39 0.00 0.00 64.86 63.15 1j39 h ILE 251 Cb 1.22 0.91 -0.19 0.00 -3.07 0.00 0.00 36.82 35.69 1j39 h ILE 251 CO 0.61 0.23 -0.71 0.00 -0.69 0.00 0.00 178.15 177.59 1j39 s ALA 252 N -5.49 0.54 -0.04 1.87 0.00 -0.53 -1.01 121.76 117.11 1j39 s ALA 252 Ca -0.13 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1j39 s ALA 252 Cb 0.10 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1j39 s ALA 252 CO 0.75 -0.16 -0.15 0.00 0.00 0.00 0.00 175.76 176.20 1j39 s ALA 253 N -2.31 1.35 0.02 0.00 0.00 -0.31 -1.87 121.76 118.65 1j39 s ALA 253 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1j39 s ALA 253 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1j39 s ALA 253 CO -0.03 0.25 0.24 -1.17 0.00 0.00 0.00 175.76 175.04 1j39 s LEU 254 N 0.05 4.36 -0.18 0.00 2.96 -1.02 -1.72 118.68 123.13 1j39 s LEU 254 Ca -0.03 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1j39 s LEU 254 Cb -0.10 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.88 1j39 s LEU 254 CO 0.02 0.23 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.52 1j39 s ILE 255 N -1.37 1.71 0.16 6.68 1.01 -0.60 -4.88 121.20 123.92 1j39 s ILE 255 Ca 0.29 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.09 1j39 s ILE 255 Cb -0.13 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1j39 s ILE 255 CO 0.19 0.30 0.01 0.27 0.00 0.00 0.00 174.94 175.71 1j39 s ILE 256 N 1.39 3.83 0.90 2.92 -0.00 -1.26 -1.05 121.20 127.94 1j39 s ILE 256 Ca 0.01 -1.31 -0.12 0.00 -0.00 0.00 0.00 60.65 59.23 1j39 s ILE 256 Cb -0.15 -2.91 0.13 0.00 -0.00 0.00 0.00 42.46 39.53 1j39 s ILE 256 CO -0.09 -0.06 1.09 -0.83 -0.00 0.00 0.00 174.94 175.04 1j39 s GLY 257 N -2.83 1.61 -0.29 6.27 0.00 -1.26 -4.94 107.32 105.88 1j39 s GLY 257 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 1j39 s GLY 257 CO 0.19 0.43 0.70 -0.35 0.00 0.00 0.00 173.10 174.06 1j39 s ASP 258 N -3.40 -1.00 0.30 1.64 -1.08 -1.26 -4.95 116.67 106.91 1j39 s ASP 258 Ca 0.64 1.48 -0.29 0.00 -0.52 0.00 0.00 52.55 53.86 1j39 s ASP 258 Cb -0.18 1.81 -0.13 0.00 -1.46 0.00 0.00 42.92 42.96 1j39 s ASP 258 CO 0.57 -0.22 1.22 1.17 0.52 0.00 0.00 175.17 178.43 1j39 n LYS 259 N 4.84 1.84 0.00 4.34 3.00 -1.26 -0.18 118.16 130.74 1j39 n LYS 259 Ca -0.16 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1j39 n LYS 259 Cb 0.54 -2.17 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1j39 n LYS 259 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1j39 n ASN 260 N 1.16 0.00 -0.03 3.14 5.03 -1.26 -4.67 115.26 118.63 1j39 n ASN 260 Ca 0.08 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.33 1j39 n ASN 260 Cb 0.34 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.96 1j39 n ASN 260 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1j39 n TYR 261 N -1.07 0.93 -1.60 3.10 4.02 0.75 -4.57 117.16 118.72 1j39 n TYR 261 Ca 0.00 0.21 -0.46 0.00 -0.01 0.00 0.00 57.90 57.64 1j39 n TYR 261 Cb 0.00 -1.13 -0.03 0.00 -0.02 0.00 0.00 39.34 38.17 1j39 n TYR 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1j39 n ASN 262 N -3.38 1.63 -4.34 7.72 3.02 -0.02 -0.86 115.26 119.02 1j39 n ASN 262 Ca -0.34 1.16 -0.37 0.00 -0.03 0.00 0.00 54.58 55.00 1j39 n ASN 262 Cb 1.04 -1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1j39 n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j39 n ASP 263 N 1.67 -1.82 0.06 6.41 8.00 -0.01 -4.63 116.55 126.23 1j39 n ASP 263 Ca 0.12 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1j39 n ASP 263 Cb 0.29 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.23 1j39 n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j39 n ASN 264 N -2.65 -0.79 -4.84 -2.24 5.15 -0.56 -4.74 115.26 104.59 1j39 n ASN 264 Ca -0.00 0.24 -0.37 0.00 -0.60 0.00 0.00 54.58 53.84 1j39 n ASN 264 Cb 0.52 0.95 -0.06 0.00 -0.53 0.00 0.00 39.78 40.66 1j39 n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1j39 s PHE 265 N -1.31 3.69 -0.17 1.20 0.40 -0.04 -1.34 117.98 120.40 1j39 s PHE 265 Ca 0.00 0.96 -0.04 0.00 -0.60 0.00 0.00 56.93 57.25 1j39 s PHE 265 Cb 0.00 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1j39 s PHE 265 CO 0.00 0.60 -0.02 0.42 0.70 0.00 0.00 175.22 176.91 1j39 s ILE 266 N -1.19 3.93 0.33 0.64 -1.09 -1.26 -4.83 121.20 117.73 1j39 s ILE 266 Ca 0.27 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.42 1j39 s ILE 266 Cb -0.16 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 1j39 s ILE 266 CO 0.15 0.47 0.45 0.42 -1.23 0.00 0.00 174.94 175.20 1j39 s THR 267 N 0.59 4.14 0.30 2.92 -4.23 -1.26 -4.81 115.64 113.29 1j39 s THR 267 Ca -0.02 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1j39 s THR 267 Cb -0.14 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.55 1j39 s THR 267 CO 0.02 -0.17 1.86 0.25 -0.54 0.00 0.00 174.62 176.04 1j39 h LEU 268 N 0.94 0.89 -1.07 4.79 5.85 -1.97 -0.94 115.31 123.81 1j39 h LEU 268 Ca -0.46 0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.50 1j39 h LEU 268 Cb 1.25 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 1j39 h LEU 268 CO 0.54 0.50 0.61 -0.09 -0.34 0.00 0.00 178.44 179.66 1j39 h ARG 269 N 0.97 0.67 -0.39 1.25 2.43 -1.96 -0.71 114.38 116.65 1j39 h ARG 269 Ca 0.47 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.66 1j39 h ARG 269 Cb 0.45 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1j39 h ARG 269 CO -0.23 0.44 0.07 0.28 -1.51 0.00 0.00 179.97 179.03 1j39 h VAL 270 N 0.69 0.79 -0.16 0.20 2.07 -1.55 0.82 116.25 119.11 1j39 h VAL 270 Ca 0.58 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.83 1j39 h VAL 270 Cb 1.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1j39 h VAL 270 CO -0.37 0.04 -0.72 -0.50 0.02 0.00 0.00 177.57 176.03 1j39 h TRP 271 N 0.20 0.93 -0.17 1.57 4.06 -1.32 -0.22 115.95 120.99 1j39 h TRP 271 Ca 0.19 -0.39 -0.04 0.00 2.06 0.00 0.00 58.89 60.70 1j39 h TRP 271 Cb 0.23 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1j39 h TRP 271 CO -0.20 1.20 -0.08 0.93 -3.56 0.00 0.00 178.44 176.73 1j39 h GLU 272 N 0.49 0.26 0.08 0.49 5.08 -0.83 -0.49 114.58 119.66 1j39 h GLU 272 Ca -0.03 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1j39 h GLU 272 Cb 1.33 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.55 1j39 h GLU 272 CO 0.14 0.36 -0.52 1.15 -1.00 0.00 0.00 179.01 179.15 1j39 h THR 273 N 0.25 1.60 -0.77 1.13 2.02 -0.77 -3.14 112.91 113.22 1j39 h THR 273 Ca 0.05 -2.45 0.02 0.00 0.77 0.00 0.00 66.41 64.81 1j39 h THR 273 Cb 0.31 3.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 1j39 h THR 273 CO 0.02 0.66 0.51 -0.03 0.37 0.00 0.00 175.52 177.05 1j39 h MET 274 N -0.64 0.97 0.00 6.66 -1.53 -0.87 -1.89 114.93 117.62 1j39 h MET 274 Ca -0.10 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.11 1j39 h MET 274 Cb 1.38 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 32.21 1j39 h MET 274 CO 0.08 0.64 0.00 0.00 0.14 0.00 0.00 176.91 177.77 1j39 h ALA 275 N 1.53 1.00 -2.04 0.39 0.00 -1.21 -3.39 119.26 115.55 1j39 h ALA 275 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.77 1j39 h ALA 275 Cb -0.04 0.00 0.17 0.00 0.00 0.00 0.00 17.79 17.92 1j39 h ALA 275 CO -0.07 0.00 0.33 -1.54 0.00 0.00 0.00 179.25 177.97 1j39 s SER 276 N -5.65 2.43 0.00 0.00 1.04 -0.71 -0.88 113.70 109.93 1j39 s SER 276 Ca 0.05 0.40 0.15 0.00 0.48 0.00 0.00 55.95 57.03 1j39 s SER 276 Cb 0.08 -0.51 0.46 0.00 0.10 0.00 0.00 66.02 66.15 1j39 s SER 276 CO 0.59 -3.17 1.37 -0.67 0.98 0.00 0.00 173.24 172.35 1j39 n ASP 277 N -4.08 2.09 -4.77 7.02 2.03 -1.26 -4.71 116.55 112.86 1j39 n ASP 277 Ca 0.14 -1.92 -0.36 0.00 0.52 0.00 0.00 54.79 53.17 1j39 n ASP 277 Cb 0.59 -0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.69 1j39 n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j39 s ALA 278 N -1.55 3.64 0.13 -1.67 0.00 -1.26 -4.89 121.76 116.15 1j39 s ALA 278 Ca 0.29 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 1j39 s ALA 278 Cb 0.15 -1.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 1j39 s ALA 278 CO 0.21 0.49 1.48 0.08 0.00 0.00 0.00 175.76 178.01 1j39 s VAL 279 N -0.60 3.04 -0.23 0.00 1.01 -0.18 -4.61 120.40 118.83 1j39 s VAL 279 Ca 0.12 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 1j39 s VAL 279 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1j39 s VAL 279 CO 0.02 0.05 1.15 -0.32 0.00 0.00 0.00 175.10 176.01 1j39 s MET 280 N 1.27 4.18 -0.13 2.72 1.75 -1.26 -1.16 119.30 126.67 1j39 s MET 280 Ca 0.67 1.41 0.01 0.00 -1.25 0.00 0.00 55.69 56.53 1j39 s MET 280 Cb -0.39 -3.73 -0.01 0.00 2.84 0.00 0.00 34.83 33.54 1j39 s MET 280 CO 0.31 -0.75 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.25 1j39 s LEU 281 N 3.51 2.50 -0.10 4.11 1.43 -0.70 -4.74 118.68 124.68 1j39 s LEU 281 Ca 0.49 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1j39 s LEU 281 Cb -0.17 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1j39 s LEU 281 CO 0.12 0.13 -0.16 -0.63 0.23 0.00 0.00 176.35 176.04 1j39 s ILE 282 N 0.54 2.82 0.04 -0.59 1.01 0.11 -1.55 121.20 123.57 1j39 s ILE 282 Ca -0.10 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1j39 s ILE 282 Cb -0.16 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 1j39 s ILE 282 CO 0.04 0.55 1.92 -0.62 0.00 0.00 0.00 174.94 176.83 1j39 s ASP 283 N 0.08 6.47 0.31 3.58 2.15 -0.21 -1.14 116.67 127.91 1j39 s ASP 283 Ca -0.07 2.64 0.08 0.00 0.43 0.00 0.00 52.55 55.63 1j39 s ASP 283 Cb -0.15 -2.54 0.86 0.00 -0.30 0.00 0.00 42.92 40.80 1j39 s ASP 283 CO 0.05 -1.04 1.70 -0.08 -0.17 0.00 0.00 175.17 175.63 1j39 h GLU 284 N 10.24 0.42 0.00 4.34 4.57 -1.30 -0.32 114.58 132.54 1j39 h GLU 284 Ca -0.48 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1j39 h GLU 284 Cb 1.23 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1j39 h GLU 284 CO 0.94 0.28 -0.01 0.93 -1.18 0.00 0.00 179.01 179.97 1j39 h GLU 285 N 0.44 0.00 0.00 1.92 5.08 -1.89 -2.38 114.58 117.75 1j39 h GLU 285 Ca 0.63 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.88 1j39 h GLU 285 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1j39 h GLU 285 CO -0.54 0.01 -0.52 0.35 -1.00 0.00 0.00 179.01 177.32 1j39 h PHE 286 N 0.00 0.00 -0.95 4.33 3.57 -1.41 -3.39 116.94 119.09 1j39 h PHE 286 Ca -0.00 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.13 1j39 h PHE 286 Cb 0.04 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 38.52 1j39 h PHE 286 CO 0.00 0.52 -0.76 -3.47 -2.23 0.00 0.00 178.31 172.37 1j39 n ASP 287 N -3.71 -1.61 0.30 0.41 2.03 -0.93 -0.83 116.55 112.21 1j39 n ASP 287 Ca -0.01 -3.00 0.17 0.00 0.52 0.00 0.00 54.79 52.47 1j39 n ASP 287 Cb 0.57 0.75 0.97 0.00 -0.72 0.00 0.00 41.12 42.69 1j39 n ASP 287 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1j39 h THR 288 N 2.76 0.37 -0.04 5.18 1.35 -1.66 -0.90 112.91 119.98 1j39 h THR 288 Ca -0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1j39 h THR 288 Cb 0.97 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1j39 h THR 288 CO 0.37 0.02 0.00 0.29 -0.25 0.00 0.00 175.52 175.94 1j39 n LYS 289 N -3.58 2.00 -3.54 4.72 5.02 -1.26 -4.96 118.16 116.55 1j39 n LYS 289 Ca -0.03 -1.45 -0.19 0.00 -2.02 0.00 0.00 58.31 54.62 1j39 n LYS 289 Cb 0.11 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.71 1j39 n LYS 289 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1j39 n HIS 290 N 0.76 -2.12 0.02 2.13 8.25 -0.34 -4.91 115.22 119.01 1j39 n HIS 290 Ca 0.17 0.91 -0.08 0.00 -0.26 0.00 0.00 57.72 58.45 1j39 n HIS 290 Cb 0.47 -4.81 0.08 0.00 1.12 0.00 0.00 29.99 26.86 1j39 n HIS 290 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j39 h ARG 291 N -1.92 0.50 0.34 -0.41 2.47 -1.93 -3.26 114.38 110.17 1j39 h ARG 291 Ca -0.60 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 57.81 1j39 h ARG 291 Cb 1.35 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1j39 h ARG 291 CO 0.53 0.90 -0.17 0.82 0.56 0.00 0.00 179.97 182.61 1j39 h ILE 292 N 0.39 0.68 -2.92 2.04 2.04 -1.91 -3.43 117.51 114.40 1j39 h ILE 292 Ca 0.01 -0.23 -0.25 0.00 1.00 0.00 0.00 64.86 65.39 1j39 h ILE 292 Cb 1.04 0.80 -0.34 0.00 -0.74 0.00 0.00 36.82 37.58 1j39 h ILE 292 CO 0.09 0.05 -0.57 -0.63 0.00 0.00 0.00 178.15 177.09 1j39 s ILE 293 N -5.58 -0.36 -1.43 -0.67 1.01 -1.24 -5.03 121.20 107.89 1j39 s ILE 293 Ca -0.15 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 1j39 s ILE 293 Cb 0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1j39 s ILE 293 CO 0.61 0.11 2.44 -3.20 0.00 0.00 0.00 174.94 174.90 1j39 n ASN 294 N 5.34 5.38 -3.33 3.58 5.15 -1.23 -4.70 115.26 125.45 1j39 n ASN 294 Ca -0.06 -2.71 -0.06 0.00 -0.60 0.00 0.00 54.58 51.15 1j39 n ASN 294 Cb 0.50 -1.56 -0.06 0.00 -0.53 0.00 0.00 39.78 38.13 1j39 n ASN 294 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1j39 s ASP 295 N 3.03 -0.22 0.63 1.20 -1.08 -1.26 -5.04 116.67 113.92 1j39 s ASP 295 Ca 0.55 0.47 0.33 0.00 -0.52 0.00 0.00 52.55 53.38 1j39 s ASP 295 Cb 0.15 1.41 1.85 0.00 -1.46 0.00 0.00 42.92 44.87 1j39 s ASP 295 CO -0.06 -0.28 2.12 0.00 0.52 0.00 0.00 175.17 177.47 1j39 h ALA 296 N 8.13 1.49 0.00 3.66 0.00 -1.96 -2.30 119.26 128.28 1j39 h ALA 296 Ca -0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1j39 h ALA 296 Cb 1.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1j39 h ALA 296 CO 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 1j39 h ARG 297 N 0.00 0.00 -0.01 0.00 3.08 -1.96 -2.20 114.38 113.29 1j39 h ARG 297 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1j39 h ARG 297 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1j39 h ARG 297 CO -0.00 0.04 -0.02 1.19 -1.07 0.00 0.00 179.97 180.10 1j39 n PHE 298 N -3.28 0.00 -4.82 3.04 3.01 -0.87 -4.90 117.46 109.64 1j39 n PHE 298 Ca -0.02 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.13 1j39 n PHE 298 Cb 0.19 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.51 1j39 n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1j39 s TYR 299 N -2.05 2.54 -0.02 1.38 1.51 -0.83 0.04 117.35 119.93 1j39 s TYR 299 Ca 0.38 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1j39 s TYR 299 Cb 0.21 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 1j39 s TYR 299 CO 0.36 0.19 -0.06 0.14 -1.11 0.00 0.00 175.55 175.06 1j39 s VAL 300 N -0.83 0.55 -0.08 0.71 -7.23 -0.29 -4.90 120.40 108.34 1j39 s VAL 300 Ca 0.13 -0.25 0.14 0.00 -1.81 0.00 0.00 61.98 60.19 1j39 s VAL 300 Cb -0.10 -0.50 -0.17 0.00 0.56 0.00 0.00 36.38 36.17 1j39 s VAL 300 CO 0.03 0.18 0.83 0.78 -0.31 0.00 0.00 175.10 176.61 1j39 h ASN 301 N 6.33 0.00 -2.69 4.85 2.35 -1.94 0.00 115.58 124.48 1j39 h ASN 301 Ca -0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.37 1j39 h ASN 301 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1j39 h ASN 301 CO 0.49 0.77 0.16 -0.46 -1.65 0.00 0.00 177.43 176.74 1j39 n ASN 302 N -3.00 -1.66 -0.13 5.81 0.23 -1.26 -4.80 115.26 110.44 1j39 n ASN 302 Ca -0.11 -2.28 -0.05 0.00 -0.53 0.00 0.00 54.58 51.62 1j39 n ASN 302 Cb 0.92 2.80 0.04 0.00 -2.08 0.00 0.00 39.78 41.46 1j39 n ASN 302 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1j39 h ARG 303 N 0.00 0.32 -0.66 -3.83 2.43 -1.95 -1.84 114.38 108.85 1j39 h ARG 303 Ca -0.25 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1j39 h ARG 303 Cb 0.95 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 1j39 h ARG 303 CO 0.32 0.21 0.33 0.00 -1.51 0.00 0.00 179.97 179.32 1j39 h ALA 304 N 1.27 0.89 -0.27 2.80 0.00 -1.97 -0.56 119.26 121.41 1j39 h ALA 304 Ca 0.20 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1j39 h ALA 304 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1j39 h ALA 304 CO -0.19 -0.05 -0.37 0.93 0.00 0.00 0.00 179.25 179.57 1j39 h GLU 305 N 0.58 0.61 -0.35 0.00 5.08 -1.89 -2.20 114.58 116.40 1j39 h GLU 305 Ca 0.32 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1j39 h GLU 305 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1j39 h GLU 305 CO -0.24 0.88 0.11 1.25 -1.00 0.00 0.00 179.01 180.01 1j39 h LEU 306 N 0.51 0.51 -0.04 1.33 5.85 -0.61 -0.32 115.31 122.54 1j39 h LEU 306 Ca 0.05 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1j39 h LEU 306 Cb 0.87 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1j39 h LEU 306 CO 0.07 0.58 -0.03 0.40 -0.34 0.00 0.00 178.44 179.13 1j39 h ILE 307 N 0.42 0.92 -0.75 4.05 2.04 -1.03 -0.88 117.51 122.27 1j39 h ILE 307 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 1j39 h ILE 307 Cb 0.25 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1j39 h ILE 307 CO -0.00 0.00 0.41 0.44 0.00 0.00 0.00 178.15 178.99 1j39 h ASP 308 N -0.03 0.95 -0.44 1.72 3.32 -1.28 -1.41 116.42 119.25 1j39 h ASP 308 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1j39 h ASP 308 Cb 0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1j39 h ASP 308 CO -0.06 0.78 0.14 -0.09 -1.72 0.00 0.00 179.24 178.29 1j39 h ARG 309 N 1.04 0.68 -0.75 3.56 9.65 -0.79 -0.34 114.38 127.43 1j39 h ARG 309 Ca 0.26 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1j39 h ARG 309 Cb 0.04 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1j39 h ARG 309 CO -0.04 0.66 0.28 0.28 2.80 0.00 0.00 179.97 183.95 1j39 h VAL 310 N 0.57 1.26 -0.33 0.20 2.07 -1.00 -1.02 116.25 118.00 1j39 h VAL 310 Ca 0.14 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1j39 h VAL 310 Cb 0.26 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1j39 h VAL 310 CO -0.00 0.34 -0.13 0.78 0.02 0.00 0.00 177.57 178.57 1j39 h ASN 311 N 1.10 0.56 -0.58 0.57 -0.26 -0.95 -0.48 115.58 115.54 1j39 h ASN 311 Ca 0.25 -0.16 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 1j39 h ASN 311 Cb 0.25 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1j39 h ASN 311 CO -0.02 0.72 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.73 1j39 h GLU 312 N 0.53 1.06 -0.29 0.81 4.39 -0.54 -1.12 114.58 119.41 1j39 h GLU 312 Ca 0.09 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1j39 h GLU 312 Cb 0.54 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1j39 h GLU 312 CO 0.03 1.04 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.64 1j39 h LEU 313 N 0.96 0.55 -0.68 1.33 3.38 -0.72 -1.65 115.31 118.48 1j39 h LEU 313 Ca 0.17 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1j39 h LEU 313 Cb 0.58 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1j39 h LEU 313 CO 0.03 0.77 -0.64 0.11 0.09 0.00 0.00 178.44 178.80 1j39 h LYS 314 N 0.49 0.06 0.00 1.13 1.57 -0.81 -3.21 116.57 115.81 1j39 h LYS 314 Ca 0.07 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1j39 h LYS 314 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1j39 h LYS 314 CO 0.05 0.68 -0.46 1.25 -0.57 0.00 0.00 179.45 180.40 1j39 h HIS 315 N 0.05 0.00 -3.32 -1.35 2.76 -0.95 -3.43 115.15 108.91 1j39 h HIS 315 Ca -0.01 0.00 -0.59 0.00 -2.20 0.00 0.00 60.37 57.57 1j39 h HIS 315 Cb 1.15 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.71 1j39 h HIS 315 CO 0.01 0.18 -0.75 0.45 -1.30 0.00 0.00 177.93 176.51 1j39 s SER 316 N -6.06 4.03 0.47 3.26 0.15 -0.64 -4.95 113.70 109.96 1j39 s SER 316 Ca 0.04 -1.59 0.21 0.00 0.70 0.00 0.00 55.95 55.30 1j39 s SER 316 Cb 0.07 -1.02 1.15 0.00 -1.71 0.00 0.00 66.02 64.52 1j39 s SER 316 CO 0.73 -0.38 1.99 -0.78 1.20 0.00 0.00 173.24 176.00 1j39 h ASP 317 N 8.00 0.00 -0.16 5.45 3.58 -1.84 -1.67 116.42 129.78 1j39 h ASP 317 Ca -0.13 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1j39 h ASP 317 Cb 1.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1j39 h ASP 317 CO 0.46 0.19 0.01 0.58 -2.88 0.00 0.00 179.24 177.61 1j39 h VAL 318 N 0.00 1.24 -0.33 2.25 2.07 -1.92 -0.43 116.25 119.13 1j39 h VAL 318 Ca -0.00 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1j39 h VAL 318 Cb 0.42 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1j39 h VAL 318 CO 0.03 0.24 0.14 0.25 0.02 0.00 0.00 177.57 178.24 1j39 h LEU 319 N 0.05 0.45 -0.16 2.57 5.85 -1.80 -0.95 115.31 121.31 1j39 h LEU 319 Ca 0.05 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1j39 h LEU 319 Cb 0.35 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1j39 h LEU 319 CO 0.01 0.48 0.06 -0.09 -0.34 0.00 0.00 178.44 178.56 1j39 h ARG 320 N 0.39 0.14 -0.31 1.25 2.43 -1.24 -0.80 114.38 116.24 1j39 h ARG 320 Ca 0.11 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1j39 h ARG 320 Cb 0.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1j39 h ARG 320 CO -0.01 0.09 -0.12 0.87 -1.51 0.00 0.00 179.97 179.29 1j39 h LYS 321 N 0.15 0.54 -0.42 0.20 1.57 -0.99 -1.64 116.57 115.97 1j39 h LYS 321 Ca 0.07 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1j39 h LYS 321 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1j39 h LYS 321 CO -0.07 0.66 0.08 1.49 -0.57 0.00 0.00 179.45 181.04 1j39 h GLU 322 N 0.50 0.69 -0.33 3.15 4.81 -0.73 -0.69 114.58 121.97 1j39 h GLU 322 Ca 0.09 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1j39 h GLU 322 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1j39 h GLU 322 CO 0.03 0.72 -0.27 0.52 -0.73 0.00 0.00 179.01 179.28 1j39 h MET 323 N 0.55 0.67 -0.52 1.92 2.86 -0.94 -0.79 114.93 118.68 1j39 h MET 323 Ca 0.13 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1j39 h MET 323 Cb 0.35 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1j39 h MET 323 CO 0.01 0.87 0.15 -0.07 1.06 0.00 0.00 176.91 178.92 1j39 h LEU 324 N 0.58 0.77 -0.74 1.22 3.38 -1.14 -0.83 115.31 118.54 1j39 h LEU 324 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1j39 h LEU 324 Cb 0.76 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1j39 h LEU 324 CO 0.06 0.78 0.47 -1.28 0.09 0.00 0.00 178.44 178.57 1j39 h SER 325 N 0.72 0.87 0.06 -0.43 0.87 -0.83 -0.99 113.55 113.81 1j39 h SER 325 Ca 0.17 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1j39 h SER 325 Cb 0.30 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1j39 h SER 325 CO -0.00 0.65 -0.03 0.40 -0.53 0.00 0.00 176.83 177.32 1j39 h ILE 326 N 1.01 1.10 -0.42 2.23 2.04 -0.81 -1.04 117.51 121.61 1j39 h ILE 326 Ca 0.27 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1j39 h ILE 326 Cb -0.09 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1j39 h ILE 326 CO -0.06 0.13 0.06 0.06 0.00 0.00 0.00 178.15 178.34 1j39 h GLN 327 N -0.30 0.65 -0.50 2.37 3.07 -1.01 -0.23 115.11 119.14 1j39 h GLN 327 Ca -0.01 -0.13 -0.11 0.00 0.09 0.00 0.00 58.65 58.49 1j39 h GLN 327 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 1j39 h GLN 327 CO 0.01 0.62 -0.14 0.45 0.09 0.00 0.00 178.83 179.87 1j39 h HIS 328 N 0.62 1.08 -0.48 0.06 3.86 -1.11 -0.66 115.15 118.52 1j39 h HIS 328 Ca 0.14 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1j39 h HIS 328 Cb 0.31 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1j39 h HIS 328 CO 0.01 1.02 0.15 -0.44 0.86 0.00 0.00 177.93 179.53 1j39 h ASP 329 N 0.85 0.70 -0.70 2.45 5.19 -0.51 -0.57 116.42 123.83 1j39 h ASP 329 Ca 0.13 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1j39 h ASP 329 Cb 0.69 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1j39 h ASP 329 CO 0.05 0.72 0.30 0.40 -3.12 0.00 0.00 179.24 177.60 1j39 h ILE 330 N 0.64 1.24 -0.50 0.35 2.04 -0.87 -0.94 117.51 119.47 1j39 h ILE 330 Ca 0.15 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1j39 h ILE 330 Cb 0.28 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1j39 h ILE 330 CO -0.00 0.29 0.26 0.25 0.00 0.00 0.00 178.15 178.95 1j39 h LEU 331 N 0.98 0.63 -1.54 1.44 6.46 -0.84 -2.34 115.31 120.11 1j39 h LEU 331 Ca 0.24 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1j39 h LEU 331 Cb 0.17 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1j39 h LEU 331 CO -0.02 0.55 -0.23 0.78 -0.62 0.00 0.00 178.44 178.90 1j39 h ASN 332 N 0.66 0.00 -0.02 1.25 2.35 -0.64 -1.29 115.58 117.89 1j39 h ASN 332 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1j39 h ASN 332 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1j39 h ASN 332 CO -0.03 0.23 -0.13 0.11 -1.65 0.00 0.00 177.43 175.96 1j39 h LYS 333 N 0.00 0.32 0.09 0.81 1.57 -0.63 -0.81 116.57 117.92 1j39 h LYS 333 Ca -0.00 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 1j39 h LYS 333 Cb 0.41 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.71 1j39 h LYS 333 CO 0.03 0.46 -1.19 1.15 -0.57 0.00 0.00 179.45 179.33 1j39 h THR 334 N 0.30 1.29 0.00 -0.16 2.02 -1.13 -3.14 112.91 112.09 1j39 h THR 334 Ca 0.06 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.80 1j39 h THR 334 Cb 0.42 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1j39 h THR 334 CO 0.02 0.74 -0.06 0.03 0.37 0.00 0.00 175.52 176.62 1j39 h ARG 335 N 0.30 0.00 0.00 6.66 3.08 -0.87 -0.78 114.38 122.77 1j39 h ARG 335 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1j39 h ARG 335 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1j39 h ARG 335 CO 0.23 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 1j39 h ALA 336 N 1.94 1.00 -0.58 0.04 0.00 -1.10 -2.52 119.26 118.04 1j39 h ALA 336 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1j39 h ALA 336 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1j39 h ALA 336 CO 0.01 0.00 0.08 1.63 0.00 0.00 0.00 179.25 180.97 1j39 n LYS 337 N -2.79 4.24 -0.18 0.00 5.02 -0.30 -4.66 118.16 119.51 1j39 n LYS 337 Ca -0.00 -2.86 -0.03 0.00 -2.02 0.00 0.00 58.31 53.41 1j39 n LYS 337 Cb 0.20 -2.19 0.04 0.00 -0.02 0.00 0.00 35.03 33.06 1j39 n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j39 h LYS 338 N 3.28 -0.02 -0.89 1.97 3.64 -1.57 -0.36 116.57 122.61 1j39 h LYS 338 Ca 0.08 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1j39 h LYS 338 Cb 1.97 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.74 1j39 h LYS 338 CO 0.53 -0.02 0.59 0.00 -2.27 0.00 0.00 179.45 178.28 1j39 h ALA 339 N 1.48 1.45 -0.49 5.00 0.00 -1.88 0.19 119.26 125.02 1j39 h ALA 339 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1j39 h ALA 339 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j39 h ALA 339 CO -0.57 0.46 -0.18 0.93 0.00 0.00 0.00 179.25 179.89 1j39 h GLU 340 N 1.10 0.99 -0.45 0.00 5.08 -1.61 -0.95 114.58 118.74 1j39 h GLU 340 Ca 0.36 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1j39 h GLU 340 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1j39 h GLU 340 CO -0.11 1.09 0.16 2.35 -1.00 0.00 0.00 179.01 181.49 1j39 h TRP 341 N 0.85 0.71 -0.42 4.33 7.01 -0.09 -0.47 115.95 127.87 1j39 h TRP 341 Ca 0.12 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1j39 h TRP 341 Cb 0.76 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1j39 h TRP 341 CO 0.05 0.63 0.14 1.96 -2.79 0.00 0.00 178.44 178.43 1j39 h GLN 342 N 0.59 0.64 -0.80 2.65 4.20 -0.53 -1.61 115.11 120.25 1j39 h GLN 342 Ca 0.15 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1j39 h GLN 342 Cb 0.24 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1j39 h GLN 342 CO -0.01 0.63 0.38 -0.44 -0.67 0.00 0.00 178.83 178.73 1j39 h ASP 343 N 0.53 1.04 -0.57 1.46 3.32 -0.98 -1.85 116.42 119.37 1j39 h ASP 343 Ca 0.14 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1j39 h ASP 343 Cb 0.25 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1j39 h ASP 343 CO -0.01 0.88 0.10 0.00 -1.72 0.00 0.00 179.24 178.50 1j39 h ALA 344 N 1.28 1.03 -0.37 3.45 0.00 -0.82 -1.12 119.26 122.71 1j39 h ALA 344 Ca 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1j39 h ALA 344 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1j39 h ALA 344 CO -0.03 0.62 0.04 0.35 0.00 0.00 0.00 179.25 180.23 1j39 h PHE 345 N 0.92 0.66 -0.69 0.00 3.57 -0.88 -0.21 116.94 120.33 1j39 h PHE 345 Ca 0.19 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1j39 h PHE 345 Cb 0.40 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1j39 h PHE 345 CO 0.03 0.68 0.45 0.87 -2.23 0.00 0.00 178.31 178.11 1j39 h LYS 346 N 0.45 0.88 -0.58 1.11 1.57 -1.09 -1.54 116.57 117.36 1j39 h LYS 346 Ca 0.11 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1j39 h LYS 346 Cb 0.39 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1j39 h LYS 346 CO 0.01 0.58 0.10 0.87 -0.57 0.00 0.00 179.45 180.44 1j39 h LYS 347 N 0.90 0.93 -0.23 3.15 1.57 -0.99 0.53 116.57 122.43 1j39 h LYS 347 Ca 0.26 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1j39 h LYS 347 Cb -0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1j39 h LYS 347 CO -0.07 0.86 0.14 0.00 -0.57 0.00 0.00 179.45 179.81 1j39 h ALA 348 N 1.22 1.81 -0.92 3.86 0.00 -0.08 -0.99 119.26 124.16 1j39 h ALA 348 Ca 0.18 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.58 1j39 h ALA 348 Cb 0.38 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.79 1j39 h ALA 348 CO 0.01 0.17 0.57 0.44 0.00 0.00 0.00 179.25 180.44 1j39 n ILE 349 N -4.49 3.14 -3.79 0.00 -5.35 -0.76 -4.93 119.36 103.19 1j39 n ILE 349 Ca 0.00 -2.08 -0.26 0.00 -0.27 0.00 0.00 62.75 60.14 1j39 n ILE 349 Cb 0.08 -0.48 0.04 0.00 -1.74 0.00 0.00 39.64 37.54 1j39 n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1j39 n ASP 350 N -1.14 -3.86 -0.33 7.28 8.00 -0.38 -5.02 116.55 121.12 1j39 n ASP 350 Ca 0.57 -0.75 0.04 0.00 0.71 0.00 0.00 54.79 55.36 1j39 n ASP 350 Cb 1.56 -4.16 0.03 0.00 -0.02 0.00 0.00 41.12 38.53 1j39 n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99