#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9b s ILE 4 N 0.00 1.72 -0.05 -1.44 1.01 -1.26 -3.85 121.20 117.33 1j9b s ILE 4 Ca 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1j9b s ILE 4 Cb 0.00 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1j9b s ILE 4 CO 0.00 0.48 -0.22 -0.89 0.00 0.00 0.00 174.94 174.31 1j9b s THR 5 N -0.02 1.83 -0.08 2.92 2.01 -0.26 -0.42 115.64 121.63 1j9b s THR 5 Ca -0.05 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.04 1j9b s THR 5 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.83 1j9b s THR 5 CO 0.03 0.52 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.76 1j9b s ILE 6 N -0.16 1.79 -0.61 1.82 2.07 -0.11 -0.81 121.20 125.20 1j9b s ILE 6 Ca -0.02 -0.87 -0.22 0.00 -1.41 0.00 0.00 60.65 58.13 1j9b s ILE 6 Cb -0.12 -1.56 0.07 0.00 0.13 0.00 0.00 42.46 40.98 1j9b s ILE 6 CO 0.03 0.50 0.87 -0.31 -1.91 0.00 0.00 174.94 174.12 1j9b s TYR 7 N 0.34 2.80 -0.03 3.50 1.51 0.25 -0.89 117.35 124.83 1j9b s TYR 7 Ca -0.15 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1j9b s TYR 7 Cb -0.17 -4.10 -0.03 0.00 -0.11 0.00 0.00 41.96 37.55 1j9b s TYR 7 CO 0.07 -1.45 -0.08 -1.58 -1.11 0.00 0.00 175.55 171.40 1j9b s HIS 8 N 3.63 2.88 -0.38 2.71 2.46 -0.18 -3.12 115.29 123.29 1j9b s HIS 8 Ca 0.21 -0.03 -0.01 0.00 0.47 0.00 0.00 55.06 55.70 1j9b s HIS 8 Cb -0.18 -1.65 0.10 0.00 -0.13 0.00 0.00 32.58 30.73 1j9b s HIS 8 CO 0.12 0.33 0.14 1.21 -2.47 0.00 0.00 174.74 174.06 1j9b s ASN 9 N -1.08 5.07 0.66 9.88 3.84 -1.26 -3.86 114.94 128.18 1j9b s ASN 9 Ca 0.14 -1.99 0.39 0.00 0.21 0.00 0.00 52.86 51.61 1j9b s ASN 9 Cb -0.11 -1.76 2.12 0.00 -0.55 0.00 0.00 41.25 40.95 1j9b s ASN 9 CO 0.04 -0.47 2.19 -0.65 -2.79 0.00 0.00 177.10 175.43 1j9b h PRO 10 N 7.91 0.00 -3.05 0.43 0.11 -1.99 -3.41 132.00 132.01 1j9b h PRO 10 Ca -0.11 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.27 1j9b h PRO 10 Cb 1.04 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 1j9b h PRO 10 CO 0.63 0.00 2.70 0.00 -0.21 0.00 0.00 178.00 181.11 1j9b n ALA 11 N -2.00 6.50 0.00 -0.75 0.00 -1.26 -4.84 120.51 118.15 1j9b n ALA 11 Ca -0.03 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1j9b n ALA 11 Cb 0.18 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.60 1j9b n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j9b n GLY 13 N 2.60 0.00 0.30 0.00 0.00 -1.26 -5.08 105.19 101.76 1j9b n GLY 13 Ca 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 1j9b n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1j9b h THR 14 N 0.00 1.22 -0.33 2.61 2.02 -1.93 0.25 112.91 116.75 1j9b h THR 14 Ca 0.00 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1j9b h THR 14 Cb 0.97 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1j9b h THR 14 CO 0.00 0.24 -0.07 -1.28 0.37 0.00 0.00 175.52 174.78 1j9b h SER 15 N 1.03 0.63 -0.16 4.18 0.87 -1.85 -1.35 113.55 116.89 1j9b h SER 15 Ca 0.27 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1j9b h SER 15 Cb -0.00 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1j9b h SER 15 CO -0.05 0.84 0.04 0.03 -0.53 0.00 0.00 176.83 177.16 1j9b h ARG 16 N 0.41 0.11 -0.81 2.24 3.08 -1.72 -1.09 114.38 116.59 1j9b h ARG 16 Ca 0.08 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1j9b h ARG 16 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1j9b h ARG 16 CO 0.03 0.07 0.53 -0.91 -1.07 0.00 0.00 179.97 178.62 1j9b h ASN 17 N 0.11 0.94 -0.25 7.04 2.35 -0.88 -1.57 115.58 123.32 1j9b h ASN 17 Ca 0.07 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1j9b h ASN 17 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1j9b h ASN 17 CO -0.09 0.68 0.14 0.74 -1.65 0.00 0.00 177.43 177.26 1j9b h THR 18 N 1.10 1.10 -0.74 2.81 2.02 -1.02 -0.57 112.91 117.62 1j9b h THR 18 Ca 0.30 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1j9b h THR 18 Cb -0.12 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1j9b h THR 18 CO -0.06 0.10 0.45 0.25 0.37 0.00 0.00 175.52 176.63 1j9b h LEU 19 N 0.30 0.73 -0.73 2.58 5.85 -0.96 -0.82 115.31 122.25 1j9b h LEU 19 Ca 0.09 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1j9b h LEU 19 Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1j9b h LEU 19 CO -0.02 0.49 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.85 1j9b h GLU 20 N 0.86 0.50 -0.65 1.25 4.39 -1.00 -1.59 114.58 118.34 1j9b h GLU 20 Ca 0.31 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1j9b h GLU 20 Cb 0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1j9b h GLU 20 CO -0.14 0.82 0.08 0.52 -1.16 0.00 0.00 179.01 179.13 1j9b h MET 21 N 0.42 1.09 -0.04 2.33 2.86 -0.52 -0.16 114.93 120.91 1j9b h MET 21 Ca 0.04 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1j9b h MET 21 Cb 0.88 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1j9b h MET 21 CO 0.07 1.01 -0.14 0.82 1.06 0.00 0.00 176.91 179.73 1j9b h ILE 22 N 1.02 0.64 -0.53 -1.22 2.04 -0.88 -2.38 117.51 116.19 1j9b h ILE 22 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1j9b h ILE 22 Cb 0.46 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1j9b h ILE 22 CO 0.02 0.00 0.32 0.03 0.00 0.00 0.00 178.15 178.52 1j9b h ARG 23 N -0.22 0.72 0.00 2.37 3.08 -1.05 -0.72 114.38 118.55 1j9b h ARG 23 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j9b h ARG 23 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1j9b h ARG 23 CO -0.17 0.50 0.00 -1.71 -1.07 0.00 0.00 179.97 177.53 1j9b n ASN 24 N -4.43 0.00 -0.40 7.04 4.05 -0.10 -1.03 115.26 120.39 1j9b n ASN 24 Ca 0.05 0.39 0.13 0.00 0.45 0.00 0.00 54.58 55.60 1j9b n ASN 24 Cb 0.07 -0.44 0.36 0.00 1.23 0.00 0.00 39.78 41.00 1j9b n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1j9b n SER 25 N -1.44 1.44 0.00 1.20 3.41 -0.28 -0.54 113.62 117.41 1j9b n SER 25 Ca 0.04 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1j9b n SER 25 Cb 0.15 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1j9b n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j9b n GLY 26 N 1.29 0.86 3.17 5.00 0.00 -0.20 -4.74 105.19 110.57 1j9b n GLY 26 Ca 0.14 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1j9b n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9b s THR 27 N -2.00 1.38 -0.35 2.61 -4.23 -1.23 -5.06 115.64 106.75 1j9b s THR 27 Ca 0.00 -0.80 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1j9b s THR 27 Cb 0.00 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1j9b s THR 27 CO 0.00 0.34 0.68 -0.70 -0.54 0.00 0.00 174.62 174.40 1j9b s GLU 28 N -0.53 3.73 0.67 3.99 2.56 -1.26 -3.58 118.70 124.28 1j9b s GLU 28 Ca 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 54.97 55.09 1j9b s GLU 28 Cb -0.07 -3.80 -0.01 0.00 2.00 0.00 0.00 34.13 32.25 1j9b s GLU 28 CO -0.00 -0.75 1.06 -1.25 -0.56 0.00 0.00 175.26 173.76 1j9b s PRO 29 N 2.81 3.17 0.02 4.30 0.04 -1.26 -4.87 135.00 139.21 1j9b s PRO 29 Ca 0.27 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 1j9b s PRO 29 Cb -0.14 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1j9b s PRO 29 CO 0.15 -0.83 1.41 0.99 0.04 0.00 0.00 177.00 178.76 1j9b s THR 30 N -3.27 3.61 -0.25 1.26 2.01 0.45 -4.93 115.64 114.52 1j9b s THR 30 Ca 0.57 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 63.53 1j9b s THR 30 Cb -0.11 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1j9b s THR 30 CO 0.52 0.01 0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 1j9b s ILE 31 N 2.20 4.29 -0.24 1.82 1.01 -1.26 -0.93 121.20 128.09 1j9b s ILE 31 Ca 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 1j9b s ILE 31 Cb -0.33 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1j9b s ILE 31 CO 0.27 0.34 -0.01 -0.63 0.00 0.00 0.00 174.94 174.92 1j9b s ILE 32 N 1.60 3.51 -1.08 2.92 1.01 -0.06 -4.99 121.20 124.10 1j9b s ILE 32 Ca 0.06 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1j9b s ILE 32 Cb -0.15 -2.66 0.08 0.00 0.01 0.00 0.00 42.46 39.74 1j9b s ILE 32 CO 0.03 0.32 1.45 -0.76 0.00 0.00 0.00 174.94 175.99 1j9b s LEU 33 N 1.48 4.02 0.62 2.97 1.43 -1.26 -1.01 118.68 126.94 1j9b s LEU 33 Ca 0.05 -1.94 0.36 0.00 -1.03 0.00 0.00 54.13 51.57 1j9b s LEU 33 Cb -0.15 -2.52 2.09 0.00 0.03 0.00 0.00 46.19 45.64 1j9b s LEU 33 CO -0.02 -1.27 2.31 0.10 0.23 0.00 0.00 176.35 177.70 1j9b h TYR 34 N 8.86 0.00 0.00 0.29 -0.00 -1.76 0.02 116.97 124.38 1j9b h TYR 34 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.92 1j9b h TYR 34 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.69 1j9b h TYR 34 CO 1.28 0.00 -0.34 -0.07 -0.00 0.00 0.00 178.16 179.02 1j9b h LEU 35 N 0.00 0.00 0.00 0.10 3.38 -1.89 -2.49 115.31 114.42 1j9b h LEU 35 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1j9b h LEU 35 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1j9b h LEU 35 CO 0.00 0.34 -2.20 -1.84 0.09 0.00 0.00 178.44 174.83 1j9b n GLU 36 N -3.69 1.13 -3.24 1.13 0.28 -0.39 -4.74 120.64 111.14 1j9b n GLU 36 Ca -0.01 -0.01 -0.25 0.00 -0.16 0.00 0.00 57.16 56.73 1j9b n GLU 36 Cb 0.44 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 1j9b n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j9b n ASN 37 N -2.64 2.17 -4.71 -1.84 3.02 -0.14 -5.10 115.26 106.01 1j9b n ASN 37 Ca -0.28 -3.15 -0.33 0.00 -0.03 0.00 0.00 54.58 50.79 1j9b n ASN 37 Cb 1.06 -0.64 0.12 0.00 -0.61 0.00 0.00 39.78 39.71 1j9b n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1j9b s PRO 38 N -2.15 1.79 0.73 3.52 0.04 -0.94 -4.35 135.00 133.65 1j9b s PRO 38 Ca 0.39 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1j9b s PRO 38 Cb 0.20 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.97 1j9b s PRO 38 CO -0.07 -2.06 1.19 -1.25 0.04 0.00 0.00 177.00 174.85 1j9b s PRO 39 N -4.31 2.17 0.96 0.56 0.04 -1.26 -5.02 135.00 128.14 1j9b s PRO 39 Ca 0.69 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 1j9b s PRO 39 Cb -0.25 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 32.62 1j9b s PRO 39 CO 0.51 -1.80 1.09 -1.54 0.04 0.00 0.00 177.00 175.30 1j9b s SER 40 N -2.15 2.85 0.15 6.66 1.04 -1.26 -4.75 113.70 116.24 1j9b s SER 40 Ca 0.73 1.48 -0.16 0.00 0.48 0.00 0.00 55.95 58.47 1j9b s SER 40 Cb -0.28 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1j9b s SER 40 CO 0.45 -3.03 1.79 -0.09 0.98 0.00 0.00 173.24 173.35 1j9b h ARG 41 N -1.82 0.44 -0.72 4.02 2.43 -1.99 0.16 114.38 116.90 1j9b h ARG 41 Ca -0.52 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1j9b h ARG 41 Cb 1.30 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1j9b h ARG 41 CO 0.54 0.29 0.47 -0.44 -1.51 0.00 0.00 179.97 179.31 1j9b h ASP 42 N 0.45 0.79 -0.34 -3.80 3.32 -1.99 -0.70 116.42 114.15 1j9b h ASP 42 Ca 0.15 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1j9b h ASP 42 Cb 0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1j9b h ASP 42 CO -0.07 0.56 0.06 -0.33 -1.72 0.00 0.00 179.24 177.74 1j9b h GLU 43 N 0.94 0.56 -0.59 3.56 5.08 -1.84 -1.71 114.58 120.58 1j9b h GLU 43 Ca 0.27 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1j9b h GLU 43 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1j9b h GLU 43 CO -0.08 0.63 0.06 1.25 -1.00 0.00 0.00 179.01 179.88 1j9b h LEU 44 N 0.40 0.97 -0.78 1.33 5.85 -0.24 0.14 115.31 122.98 1j9b h LEU 44 Ca 0.10 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1j9b h LEU 44 Cb 0.34 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1j9b h LEU 44 CO 0.01 1.00 0.50 0.58 -0.34 0.00 0.00 178.44 180.18 1j9b h VAL 45 N 0.90 1.13 -0.32 1.05 2.07 -1.04 -1.12 116.25 118.92 1j9b h VAL 45 Ca 0.18 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1j9b h VAL 45 Cb 0.47 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1j9b h VAL 45 CO 0.02 0.18 -0.16 0.50 0.02 0.00 0.00 177.57 178.13 1j9b h LYS 46 N 0.98 0.66 -0.37 1.57 3.64 -0.91 -1.65 116.57 120.49 1j9b h LYS 46 Ca 0.31 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1j9b h LYS 46 Cb -0.01 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1j9b h LYS 46 CO -0.11 0.88 0.08 -0.07 -2.27 0.00 0.00 179.45 177.97 1j9b h LEU 47 N 0.43 0.03 -0.72 5.20 3.38 -0.36 -0.54 115.31 122.74 1j9b h LEU 47 Ca 0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j9b h LEU 47 Cb 0.69 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1j9b h LEU 47 CO 0.05 0.05 0.47 0.40 0.09 0.00 0.00 178.44 179.50 1j9b h ILE 48 N 0.21 1.19 -0.61 1.22 2.04 -1.09 -0.34 117.51 120.13 1j9b h ILE 48 Ca 0.18 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1j9b h ILE 48 Cb 0.20 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1j9b h ILE 48 CO -0.22 0.18 0.39 0.00 0.00 0.00 0.00 178.15 178.50 1j9b h ALA 49 N 1.26 0.77 0.00 1.87 0.00 -0.91 -2.55 119.26 119.70 1j9b h ALA 49 Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1j9b h ALA 49 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1j9b h ALA 49 CO -0.06 0.17 -0.53 -0.44 0.00 0.00 0.00 179.25 178.39 1j9b h ASP 50 N 0.79 0.00 1.28 0.00 3.45 -0.64 -2.83 116.42 118.48 1j9b h ASP 50 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1j9b h ASP 50 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1j9b h ASP 50 CO -0.07 0.53 0.00 0.24 -1.57 0.00 0.00 179.24 178.37 1j9b h MET 51 N 0.00 0.00 -0.84 3.56 2.86 -0.75 -3.40 114.93 116.36 1j9b h MET 51 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 1j9b h MET 51 Cb 1.08 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 1j9b h MET 51 CO 0.07 0.00 -0.22 0.41 1.06 0.00 0.00 176.91 178.23 1j9b n GLY 52 N 0.40 0.79 3.62 8.32 0.00 -0.99 -4.83 105.19 112.49 1j9b n GLY 52 Ca 0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1j9b n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j9b s ILE 53 N -2.44 2.14 0.70 -0.61 -4.36 -1.25 -5.11 121.20 110.28 1j9b s ILE 53 Ca 0.00 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.27 1j9b s ILE 53 Cb 0.00 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.82 1j9b s ILE 53 CO 0.00 -0.06 1.06 -0.94 0.24 0.00 0.00 174.94 175.24 1j9b s SER 54 N -3.71 5.44 0.16 4.36 1.04 -1.26 -4.80 113.70 114.93 1j9b s SER 54 Ca 0.35 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.08 1j9b s SER 54 Cb 0.07 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.91 1j9b s SER 54 CO 0.18 -1.38 1.81 0.58 0.98 0.00 0.00 173.24 175.41 1j9b h VAL 55 N -0.68 1.06 -0.16 5.02 2.07 -1.95 -1.98 116.25 119.63 1j9b h VAL 55 Ca -0.45 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1j9b h VAL 55 Cb 1.22 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1j9b h VAL 55 CO 0.59 0.10 -0.18 -0.09 0.02 0.00 0.00 177.57 178.01 1j9b h ARG 56 N 0.55 0.26 0.00 1.57 2.43 -1.94 -1.14 114.38 116.10 1j9b h ARG 56 Ca 0.18 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1j9b h ARG 56 Cb -0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1j9b h ARG 56 CO -0.08 0.44 -0.03 0.00 -1.51 0.00 0.00 179.97 178.80 1j9b h ALA 57 N 1.57 1.11 0.00 2.80 0.00 -1.73 -1.17 119.26 121.85 1j9b h ALA 57 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j9b h ALA 57 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j9b h ALA 57 CO 0.03 0.04 -0.21 -0.11 0.00 0.00 0.00 179.25 179.00 1j9b n LEU 58 N -3.28 0.70 -4.71 0.00 7.94 -0.44 -4.88 117.00 112.33 1j9b n LEU 58 Ca -0.02 0.44 -0.42 0.00 -1.11 0.00 0.00 56.01 54.90 1j9b n LEU 58 Cb 0.17 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.80 1j9b n LEU 58 CO 0.25 -0.11 0.97 -0.76 -1.11 0.00 0.00 177.39 176.63 1j9b s LEU 59 N -4.25 4.36 -0.16 -1.96 1.43 -0.44 -0.83 118.68 116.83 1j9b s LEU 59 Ca 0.10 2.14 -0.26 0.00 -1.03 0.00 0.00 54.13 55.07 1j9b s LEU 59 Cb 0.13 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1j9b s LEU 59 CO 0.63 -0.56 0.87 -0.60 0.23 0.00 0.00 176.35 176.92 1j9b s ARG 60 N 1.20 4.31 0.73 1.70 3.52 -0.14 -4.81 118.95 125.46 1j9b s ARG 60 Ca 0.61 1.10 -0.07 0.00 -0.13 0.00 0.00 55.73 57.24 1j9b s ARG 60 Cb -0.32 -3.57 0.07 0.00 -1.56 0.00 0.00 34.95 29.57 1j9b s ARG 60 CO 0.29 -0.35 1.04 0.15 -0.81 0.00 0.00 175.30 175.62 1j9b s LYS 61 N 2.21 2.06 -0.74 5.12 1.02 -1.26 -4.43 119.74 123.72 1j9b s LYS 61 Ca 0.40 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1j9b s LYS 61 Cb -0.17 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1j9b s LYS 61 CO 0.13 -1.34 0.00 0.09 -0.92 0.00 0.00 175.35 173.31 1j9b n ASN 62 N -2.99 -3.24 -4.26 2.83 3.02 -1.26 -4.99 115.26 104.37 1j9b n ASN 62 Ca 0.09 0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 54.51 1j9b n ASN 62 Cb 0.60 -2.18 -0.11 0.00 -0.61 0.00 0.00 39.78 37.48 1j9b n ASN 62 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1j9b s VAL 63 N -2.36 1.46 0.17 2.41 -7.23 -1.26 -5.06 120.40 108.52 1j9b s VAL 63 Ca 0.00 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 1j9b s VAL 63 Cb 0.00 -1.60 0.09 0.00 0.56 0.00 0.00 36.38 35.42 1j9b s VAL 63 CO 0.00 -0.38 1.65 -0.08 -0.31 0.00 0.00 175.10 175.98 1j9b h GLU 64 N 3.48 -0.08 -0.37 4.82 4.81 -1.96 -1.17 114.58 124.11 1j9b h GLU 64 Ca -0.41 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1j9b h GLU 64 Cb 1.20 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1j9b h GLU 64 CO 0.50 -0.06 0.11 -1.00 -0.73 0.00 0.00 179.01 177.84 1j9b h PRO 65 N -0.09 0.53 -0.45 0.92 0.13 -1.97 -0.80 132.00 130.27 1j9b h PRO 65 Ca 0.19 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1j9b h PRO 65 Cb 0.37 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1j9b h PRO 65 CO -0.43 0.47 0.24 -0.92 -0.23 0.00 0.00 178.00 177.13 1j9b h TYR 66 N 0.52 0.62 0.31 1.56 5.03 -1.54 -0.98 116.97 122.50 1j9b h TYR 66 Ca 0.13 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1j9b h TYR 66 Cb 0.17 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.25 1j9b h TYR 66 CO 0.01 0.48 -0.15 0.93 -1.32 0.00 0.00 178.16 178.11 1j9b h GLU 67 N 0.59 -0.40 0.00 1.82 5.08 -1.12 -1.93 114.58 118.62 1j9b h GLU 67 Ca 0.16 0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1j9b h GLU 67 Cb 0.07 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1j9b h GLU 67 CO -0.02 -0.10 -0.66 1.96 -1.00 0.00 0.00 179.01 179.19 1j9b h GLN 68 N -0.71 0.00 -0.00 2.33 4.20 -1.13 -2.57 115.11 117.23 1j9b h GLN 68 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1j9b h GLN 68 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1j9b h GLN 68 CO 0.07 0.66 -0.09 1.28 -0.67 0.00 0.00 178.83 180.08 1j9b n LEU 69 N -3.53 0.50 -1.91 1.46 4.77 -0.38 -4.94 117.00 112.98 1j9b n LEU 69 Ca -0.00 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1j9b n LEU 69 Cb 0.70 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1j9b n LEU 69 CO 0.42 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1j9b n GLY 70 N 1.24 -0.04 0.05 -0.72 0.00 -0.97 -4.90 105.19 99.86 1j9b n GLY 70 Ca 0.16 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1j9b n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j9b n LEU 71 N -2.52 0.28 0.26 0.99 4.77 -0.74 -2.10 117.00 117.93 1j9b n LEU 71 Ca -0.07 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 1j9b n LEU 71 Cb 0.57 -0.51 0.67 0.00 -2.33 0.00 0.00 43.42 41.83 1j9b n LEU 71 CO 0.28 -0.30 1.00 0.00 -1.33 0.00 0.00 177.39 177.04 1j9b h ALA 72 N 2.50 1.60 -2.53 -1.18 0.00 -1.91 -3.43 119.26 114.31 1j9b h ALA 72 Ca 0.00 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 54.34 1j9b h ALA 72 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j9b h ALA 72 CO 0.00 0.12 0.40 -1.21 0.00 0.00 0.00 179.25 178.56 1j9b s GLU 73 N -4.59 4.38 -1.40 0.00 2.02 -0.89 -4.95 118.70 113.27 1j9b s GLU 73 Ca -0.04 1.49 -0.11 0.00 0.02 0.00 0.00 54.97 56.33 1j9b s GLU 73 Cb 0.15 -2.73 0.08 0.00 0.10 0.00 0.00 34.13 31.73 1j9b s GLU 73 CO 0.63 0.06 2.21 -3.47 0.02 0.00 0.00 175.26 174.71 1j9b n ASP 74 N 0.34 5.40 -0.23 -0.19 4.64 -1.26 -4.40 116.55 120.84 1j9b n ASP 74 Ca 0.03 -2.94 0.04 0.00 -1.38 0.00 0.00 54.79 50.54 1j9b n ASP 74 Cb 0.49 -1.55 0.05 0.00 -1.04 0.00 0.00 41.12 39.08 1j9b n ASP 74 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1j9b n LYS 75 N 4.47 0.80 -4.52 -0.67 5.02 -1.26 -5.06 118.16 116.95 1j9b n LYS 75 Ca 0.52 -1.60 -0.23 0.00 -2.02 0.00 0.00 58.31 54.98 1j9b n LYS 75 Cb 0.34 -0.93 -0.16 0.00 -0.02 0.00 0.00 35.03 34.26 1j9b n LYS 75 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1j9b s PHE 76 N -1.21 1.29 0.83 2.13 0.40 -1.26 -5.14 117.98 115.02 1j9b s PHE 76 Ca 0.12 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1j9b s PHE 76 Cb 0.11 -0.95 0.09 0.00 0.51 0.00 0.00 43.02 42.78 1j9b s PHE 76 CO 0.01 -0.22 1.09 0.95 0.70 0.00 0.00 175.22 177.75 1j9b s THR 77 N 0.55 2.95 0.23 0.64 -4.23 -1.26 -4.86 115.64 109.66 1j9b s THR 77 Ca -0.11 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1j9b s THR 77 Cb -0.14 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 70.94 1j9b s THR 77 CO 0.03 -0.40 1.78 0.44 -0.54 0.00 0.00 174.62 175.92 1j9b h ASP 78 N -1.26 0.46 0.19 3.99 3.45 -2.00 -1.42 116.42 119.83 1j9b h ASP 78 Ca -0.48 0.06 -0.12 0.00 0.43 0.00 0.00 57.03 56.93 1j9b h ASP 78 Cb 1.27 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1j9b h ASP 78 CO 0.57 0.26 -0.44 0.44 -1.57 0.00 0.00 179.24 178.50 1j9b h ASP 79 N 0.60 0.34 -0.25 6.45 5.19 -1.99 0.64 116.42 127.41 1j9b h ASP 79 Ca 0.35 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1j9b h ASP 79 Cb 0.38 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1j9b h ASP 79 CO -0.27 0.74 0.16 1.56 -3.12 0.00 0.00 179.24 178.31 1j9b h GLN 80 N 0.26 0.33 -0.52 3.56 4.20 -1.84 -1.45 115.11 119.64 1j9b h GLN 80 Ca 0.02 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1j9b h GLN 80 Cb 0.89 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1j9b h GLN 80 CO 0.07 0.22 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.26 1j9b h LEU 81 N 0.33 1.01 -0.46 1.46 3.38 -0.79 -1.25 115.31 118.99 1j9b h LEU 81 Ca 0.09 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1j9b h LEU 81 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1j9b h LEU 81 CO -0.02 1.14 0.24 0.40 0.09 0.00 0.00 178.44 180.28 1j9b h ILE 82 N 0.86 0.98 -0.13 1.22 2.04 -0.64 -1.16 117.51 120.69 1j9b h ILE 82 Ca 0.13 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 1j9b h ILE 82 Cb 0.70 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1j9b h ILE 82 CO 0.05 0.09 -0.31 0.44 0.00 0.00 0.00 178.15 178.42 1j9b h ASP 83 N 0.47 0.24 -0.76 1.72 3.45 -1.03 -1.41 116.42 119.11 1j9b h ASP 83 Ca 0.19 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 1j9b h ASP 83 Cb 0.09 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1j9b h ASP 83 CO -0.13 0.55 0.29 -0.26 -1.57 0.00 0.00 179.24 178.12 1j9b h PHE 84 N 0.21 1.17 -0.90 4.55 0.04 -0.77 -1.60 116.94 119.64 1j9b h PHE 84 Ca 0.03 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1j9b h PHE 84 Cb 0.65 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1j9b h PHE 84 CO 0.01 0.90 0.59 0.52 -0.60 0.00 0.00 178.31 179.73 1j9b h MET 85 N 1.11 1.19 -0.26 1.51 2.86 -0.56 0.61 114.93 121.39 1j9b h MET 85 Ca 0.25 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1j9b h MET 85 Cb 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1j9b h MET 85 CO -0.02 0.80 -0.39 -0.07 1.06 0.00 0.00 176.91 178.29 1j9b h LEU 86 N 1.23 0.64 0.00 1.22 3.38 -1.01 -2.73 115.31 118.03 1j9b h LEU 86 Ca 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1j9b h LEU 86 Cb -0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1j9b h LEU 86 CO -0.07 0.96 -0.11 1.56 0.09 0.00 0.00 178.44 180.86 1j9b h GLN 87 N 0.50 0.00 -2.08 1.13 1.08 -0.91 -3.39 115.11 111.44 1j9b h GLN 87 Ca 0.05 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.69 1j9b h GLN 87 Cb 0.89 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 27.95 1j9b h GLN 87 CO 0.08 0.04 -1.03 0.72 -0.95 0.00 0.00 178.83 177.69 1j9b n HIS 88 N -3.08 -0.77 0.25 2.96 8.25 0.17 -5.02 115.22 117.99 1j9b n HIS 88 Ca 0.04 -3.36 0.17 0.00 -0.26 0.00 0.00 57.72 54.30 1j9b n HIS 88 Cb 0.55 0.00 0.89 0.00 1.12 0.00 0.00 29.99 32.54 1j9b n HIS 88 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1j9b h PRO 89 N 4.71 0.00 0.00 -0.41 0.11 -1.70 -0.42 132.00 134.30 1j9b h PRO 89 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1j9b h PRO 89 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1j9b h PRO 89 CO 0.41 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.17 1j9b h ILE 90 N 0.00 0.00 0.00 4.15 2.10 -1.91 -1.11 117.51 120.74 1j9b h ILE 90 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1j9b h ILE 90 Cb 0.02 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1j9b h ILE 90 CO 0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 178.15 177.00 1j9b h LEU 91 N 0.00 0.00 -8.93 2.19 3.38 -1.37 -3.43 115.31 107.15 1j9b h LEU 91 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1j9b h LEU 91 Cb 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1j9b h LEU 91 CO 0.00 0.00 0.74 -0.63 0.09 0.00 0.00 178.44 178.64 1j9b s ILE 92 N -3.48 4.56 0.96 1.22 1.01 -0.42 -0.97 121.20 124.08 1j9b s ILE 92 Ca 0.02 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 62.13 1j9b s ILE 92 Cb 0.09 -4.36 0.17 0.00 0.01 0.00 0.00 42.46 38.37 1j9b s ILE 92 CO 0.44 -0.45 1.09 0.21 0.00 0.00 0.00 174.94 176.22 1j9b s ASN 93 N 1.68 2.86 0.05 3.58 3.84 -0.01 -4.80 114.94 122.14 1j9b s ASN 93 Ca 0.42 1.40 -0.13 0.00 0.21 0.00 0.00 52.86 54.76 1j9b s ASN 93 Cb -0.12 -2.08 0.02 0.00 -0.55 0.00 0.00 41.25 38.52 1j9b s ASN 93 CO 0.15 -3.01 0.29 0.00 -2.79 0.00 0.00 177.10 171.74 1j9b s ARG 94 N -4.89 0.81 0.29 0.43 3.03 -1.26 -4.52 118.95 112.83 1j9b s ARG 94 Ca 0.65 -0.55 -0.12 0.00 2.03 0.00 0.00 55.73 57.74 1j9b s ARG 94 Cb -0.19 0.35 -0.08 0.00 -1.03 0.00 0.00 34.95 34.00 1j9b s ARG 94 CO 0.58 -0.26 0.66 -1.25 -1.13 0.00 0.00 175.30 173.90 1j9b s PRO 95 N -2.65 3.90 -0.18 3.89 0.04 -1.26 -4.73 135.00 134.00 1j9b s PRO 95 Ca -0.04 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 1j9b s PRO 95 Cb -0.01 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1j9b s PRO 95 CO -0.04 0.21 0.26 0.42 0.04 0.00 0.00 177.00 177.89 1j9b s ILE 96 N -1.94 5.33 -0.07 0.56 1.01 -1.18 -1.01 121.20 123.89 1j9b s ILE 96 Ca 0.51 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1j9b s ILE 96 Cb -0.11 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1j9b s ILE 96 CO 0.20 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.63 1j9b s VAL 97 N 0.53 1.74 -0.16 2.92 1.01 -0.47 -0.59 120.40 125.39 1j9b s VAL 97 Ca 0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1j9b s VAL 97 Cb -0.13 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1j9b s VAL 97 CO 0.03 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1j9b s VAL 98 N 0.15 2.96 0.31 2.92 1.01 0.01 -1.29 120.40 126.47 1j9b s VAL 98 Ca -0.09 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1j9b s VAL 98 Cb -0.15 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1j9b s VAL 98 CO 0.05 0.50 0.11 0.42 0.00 0.00 0.00 175.10 176.18 1j9b s THR 99 N 0.73 0.69 0.62 3.92 -4.23 -0.16 -1.10 115.64 116.11 1j9b s THR 99 Ca -0.05 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.78 1j9b s THR 99 Cb -0.15 -2.60 0.37 0.00 1.34 0.00 0.00 72.50 71.46 1j9b s THR 99 CO 0.02 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.63 1j9b h PRO 100 N 2.17 0.00 0.00 3.99 0.11 -1.85 -2.28 132.00 134.14 1j9b h PRO 100 Ca -0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1j9b h PRO 100 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1j9b h PRO 100 CO 0.61 0.00 -0.44 -0.07 -0.21 0.00 0.00 178.00 177.88 1j9b h LEU 101 N 0.00 0.00 0.00 2.35 3.38 -1.96 -3.50 115.31 115.58 1j9b h LEU 101 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1j9b h LEU 101 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1j9b h LEU 101 CO -0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1j9b n GLY 102 N 1.15 -1.43 3.16 0.83 0.00 -0.86 -5.01 105.19 103.04 1j9b n GLY 102 Ca 0.02 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1j9b n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j9b s THR 103 N -2.61 1.56 0.02 2.61 2.01 -1.26 -0.98 115.64 116.99 1j9b s THR 103 Ca 0.00 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1j9b s THR 103 Cb 0.00 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1j9b s THR 103 CO 0.00 0.45 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.22 1j9b s ARG 104 N 0.03 0.25 -0.50 4.92 1.81 -0.41 -4.02 118.95 121.01 1j9b s ARG 104 Ca -0.05 -0.45 -0.28 0.00 -1.72 0.00 0.00 55.73 53.23 1j9b s ARG 104 Cb -0.12 0.04 0.03 0.00 -0.45 0.00 0.00 34.95 34.45 1j9b s ARG 104 CO 0.03 -0.03 1.11 -1.17 -0.68 0.00 0.00 175.30 174.56 1j9b s LEU 105 N -1.06 3.67 -1.29 2.53 2.96 -1.26 -1.37 118.68 122.87 1j9b s LEU 105 Ca -0.11 0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1j9b s LEU 105 Cb -0.07 -3.37 0.16 0.00 0.50 0.00 0.00 46.19 43.41 1j9b s LEU 105 CO -0.01 -1.28 1.92 0.00 -1.32 0.00 0.00 176.35 175.66 1j9b s ARG 107 N 0.29 1.40 0.91 0.00 0.52 -1.26 -3.10 118.95 117.71 1j9b s ARG 107 Ca 0.41 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 1j9b s ARG 107 Cb 0.10 -2.52 0.14 0.00 0.52 0.00 0.00 34.95 33.19 1j9b s ARG 107 CO -0.00 -0.68 1.11 -1.25 0.02 0.00 0.00 175.30 174.50 1j9b s PRO 108 N 1.42 1.12 0.35 3.54 0.04 -1.26 -4.95 135.00 135.27 1j9b s PRO 108 Ca -0.02 0.45 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1j9b s PRO 108 Cb -0.18 -1.82 0.71 0.00 0.04 0.00 0.00 34.50 33.24 1j9b s PRO 108 CO -0.09 -2.24 1.95 0.66 0.04 0.00 0.00 177.00 177.32 1j9b h SER 109 N -1.54 0.70 0.33 6.66 4.64 -1.81 -1.79 113.55 120.74 1j9b h SER 109 Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1j9b h SER 109 Cb 1.32 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1j9b h SER 109 CO 0.60 0.45 0.00 -1.84 -0.87 0.00 0.00 176.83 175.17 1j9b n GLU 110 N -4.48 0.08 -0.17 4.77 0.00 -1.26 -1.57 120.64 118.00 1j9b n GLU 110 Ca 0.11 0.24 0.25 0.00 0.00 0.00 0.00 57.16 57.76 1j9b n GLU 110 Cb 0.23 -1.50 0.66 0.00 0.00 0.00 0.00 31.44 30.83 1j9b n GLU 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1j9b h VAL 111 N 0.00 0.61 0.00 3.84 2.07 -1.64 -1.52 116.25 119.61 1j9b h VAL 111 Ca 0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1j9b h VAL 111 Cb 0.17 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1j9b h VAL 111 CO 0.00 0.02 -0.01 1.62 0.02 0.00 0.00 177.57 179.22 1j9b h VAL 112 N 0.12 0.37 0.00 2.57 3.04 -1.52 -0.89 116.25 119.93 1j9b h VAL 112 Ca 0.42 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 66.05 1j9b h VAL 112 Cb 1.46 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1j9b h VAL 112 CO -0.06 0.01 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.43 1j9b h LEU 113 N 0.00 0.00 -1.05 3.16 3.38 -1.51 -1.34 115.31 117.94 1j9b h LEU 113 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1j9b h LEU 113 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1j9b h LEU 113 CO 0.00 0.01 0.02 0.44 0.09 0.00 0.00 178.44 179.00 1j9b h ASP 114 N 0.00 0.65 -0.02 -0.43 3.45 -1.35 -3.28 116.42 115.45 1j9b h ASP 114 Ca -0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1j9b h ASP 114 Cb 0.05 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1j9b h ASP 114 CO 0.00 0.71 -0.11 2.30 -1.57 0.00 0.00 179.24 180.58 1j9b n ILE 115 N -4.25 0.00 -2.57 0.35 -5.35 -0.55 -4.92 119.36 102.08 1j9b n ILE 115 Ca 0.02 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.63 1j9b n ILE 115 Cb 0.27 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1j9b n ILE 115 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1j9b s LEU 116 N -1.49 4.25 0.14 7.28 1.43 -0.96 -4.47 118.68 124.86 1j9b s LEU 116 Ca 0.15 1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 54.80 1j9b s LEU 116 Cb 0.12 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1j9b s LEU 116 CO 0.25 -0.54 1.47 1.56 0.23 0.00 0.00 176.35 179.32 1j9b h GLN 117 N 7.34 0.92 -5.67 1.70 4.20 -1.91 -3.44 115.11 118.25 1j9b h GLN 117 Ca -0.31 -0.50 -0.67 0.00 0.06 0.00 0.00 58.65 57.23 1j9b h GLN 117 Cb 1.14 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1j9b h GLN 117 CO 0.88 1.15 -0.48 -0.51 -0.67 0.00 0.00 178.83 179.19 1j9b s ASP 118 N -6.86 6.36 0.66 1.46 1.01 -1.26 -5.08 116.67 112.96 1j9b s ASP 118 Ca -0.11 0.45 -0.17 0.00 0.71 0.00 0.00 52.55 53.43 1j9b s ASP 118 Cb 0.11 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1j9b s ASP 118 CO 0.88 0.39 1.21 0.00 0.21 0.00 0.00 175.17 177.86 1j9b s ALA 119 N -1.06 2.35 0.32 5.23 0.00 -1.26 -4.77 121.76 122.57 1j9b s ALA 119 Ca 0.16 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1j9b s ALA 119 Cb -0.12 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 1j9b s ALA 119 CO 0.06 -1.50 1.26 1.04 0.00 0.00 0.00 175.76 176.62 1j9b n GLN 120 N -2.16 1.99 0.00 0.00 1.13 -1.26 -4.58 117.38 112.50 1j9b n GLN 120 Ca 0.13 0.70 0.14 0.00 -1.94 0.00 0.00 57.00 56.03 1j9b n GLN 120 Cb 0.50 -2.26 0.61 0.00 0.11 0.00 0.00 30.24 29.20 1j9b n GLN 120 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1j9b n LYS 121 N 0.81 0.09 -2.90 -1.09 5.02 0.30 -4.90 118.16 115.50 1j9b n LYS 121 Ca 0.07 -0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1j9b n LYS 121 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1j9b n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j9b n GLY 122 N 1.46 0.56 3.67 0.72 0.00 -1.26 -5.12 105.19 105.22 1j9b n GLY 122 Ca 0.08 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1j9b n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9b n ALA 123 N -1.89 0.52 -3.59 4.61 0.00 -1.25 -4.86 120.51 114.05 1j9b n ALA 123 Ca -0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1j9b n ALA 123 Cb 0.30 -2.22 -0.17 0.00 0.00 0.00 0.00 19.45 17.37 1j9b n ALA 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1j9b s PHE 124 N -1.57 1.30 -0.10 0.00 2.19 -0.39 -4.97 117.98 114.44 1j9b s PHE 124 Ca 0.79 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 57.56 1j9b s PHE 124 Cb -0.37 -1.01 0.01 0.00 -1.31 0.00 0.00 43.02 40.34 1j9b s PHE 124 CO 0.45 -0.31 -0.16 0.99 1.83 0.00 0.00 175.22 178.02 1j9b s THR 125 N 0.95 1.52 1.01 0.12 2.01 -1.26 -0.71 115.64 119.27 1j9b s THR 125 Ca -0.10 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1j9b s THR 125 Cb -0.15 -1.38 0.18 0.00 0.01 0.00 0.00 72.50 71.17 1j9b s THR 125 CO 0.00 0.44 1.01 0.29 -0.69 0.00 0.00 174.62 175.68 1j9b n LYS 126 N 4.11 -1.13 0.28 4.92 5.02 0.28 -4.85 118.16 126.79 1j9b n LYS 126 Ca -0.19 -0.28 0.14 0.00 -2.02 0.00 0.00 58.31 55.95 1j9b n LYS 126 Cb 0.51 -2.25 0.83 0.00 -0.02 0.00 0.00 35.03 34.10 1j9b n LYS 126 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1j9b h GLU 127 N -2.14 0.00 -0.24 1.97 4.11 -1.94 -0.53 114.58 115.81 1j9b h GLU 127 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1j9b h GLU 127 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1j9b h GLU 127 CO 0.43 0.05 0.00 -0.40 0.07 0.00 0.00 179.01 179.16 1j9b n ASP 128 N -3.79 1.78 0.00 3.06 5.75 -1.26 -4.91 116.55 117.18 1j9b n ASP 128 Ca -0.03 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1j9b n ASP 128 Cb 0.15 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1j9b n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j9b n GLY 129 N 1.11 0.63 3.66 6.12 0.00 -0.21 -5.05 105.19 111.45 1j9b n GLY 129 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1j9b n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9b s GLU 130 N -0.75 4.17 0.15 1.61 2.12 -1.26 -4.76 118.70 119.98 1j9b s GLU 130 Ca 0.00 1.97 -0.30 0.00 0.36 0.00 0.00 54.97 57.00 1j9b s GLU 130 Cb 0.00 -3.92 -0.07 0.00 0.26 0.00 0.00 34.13 30.40 1j9b s GLU 130 CO 0.00 -0.84 1.18 0.15 -0.54 0.00 0.00 175.26 175.21 1j9b s LYS 131 N 3.92 4.50 -0.09 4.30 1.02 -1.26 -0.56 119.74 131.56 1j9b s LYS 131 Ca 0.67 1.82 -0.09 0.00 0.02 0.00 0.00 55.97 58.40 1j9b s LYS 131 Cb -0.29 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1j9b s LYS 131 CO 0.25 -0.10 -0.19 0.28 -0.92 0.00 0.00 175.35 174.67 1j9b n VAL 132 N 2.81 1.14 -4.56 3.17 0.31 0.11 -4.68 118.33 116.63 1j9b n VAL 132 Ca 0.05 0.07 -0.21 0.00 -0.01 0.00 0.00 64.34 64.24 1j9b n VAL 132 Cb 0.45 -1.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.37 1j9b n VAL 132 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1j9b s VAL 133 N -2.39 1.02 0.76 2.52 -7.23 -0.91 -0.68 120.40 113.49 1j9b s VAL 133 Ca -0.18 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.32 1j9b s VAL 133 Cb 0.05 -0.86 0.17 0.00 0.56 0.00 0.00 36.38 36.29 1j9b s VAL 133 CO 0.24 0.26 1.04 -0.90 -0.31 0.00 0.00 175.10 175.43 1j9b n ASP 134 N 2.68 0.60 0.20 4.85 3.85 -0.46 -1.26 116.55 127.01 1j9b n ASP 134 Ca -0.14 -1.70 0.04 0.00 -0.71 0.00 0.00 54.79 52.28 1j9b n ASP 134 Cb 0.55 -0.75 0.41 0.00 -1.35 0.00 0.00 41.12 39.99 1j9b n ASP 134 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1j9b h GLU 135 N 0.00 0.00 0.00 0.11 4.39 -1.90 -0.97 114.58 116.21 1j9b h GLU 135 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1j9b h GLU 135 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1j9b h GLU 135 CO 0.29 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 1j9b h ALA 136 N 1.68 1.00 0.00 3.43 0.00 -1.95 -3.41 119.26 120.02 1j9b h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j9b h ALA 136 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j9b h ALA 136 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1j9b n GLY 137 N 0.71 0.65 3.73 0.00 0.00 -0.37 -5.08 105.19 104.84 1j9b n GLY 137 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1j9b n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j9b s LYS 138 N -0.95 4.63 0.33 1.61 2.20 -1.26 -4.76 119.74 121.55 1j9b s LYS 138 Ca 0.00 1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1j9b s LYS 138 Cb 0.00 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 1j9b s LYS 138 CO 0.00 0.22 1.41 1.03 -0.36 0.00 0.00 175.35 177.66 1j9b s ARG 139 N 0.03 4.24 0.00 4.03 1.81 -1.26 -1.36 118.95 126.44 1j9b s ARG 139 Ca 0.45 2.38 0.24 0.00 -1.72 0.00 0.00 55.73 57.08 1j9b s ARG 139 Cb -0.22 -3.04 0.27 0.00 -0.45 0.00 0.00 34.95 31.50 1j9b s ARG 139 CO 0.28 -0.38 1.30 1.28 -0.68 0.00 0.00 175.30 177.10