#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk9 s TYR 31 N 0.00 0.27 -0.31 2.11 4.12 -1.26 -5.17 117.35 117.11 2jk9 s TYR 31 Ca 0.00 -0.88 -0.13 0.00 0.02 0.00 0.00 57.07 56.08 2jk9 s TYR 31 Cb 0.00 0.70 -0.03 0.00 -1.52 0.00 0.00 41.96 41.11 2jk9 s TYR 31 CO 0.00 -1.51 0.26 0.00 0.02 0.00 0.00 175.55 174.32 2jk9 s LYS 33 N 1.82 3.53 0.02 0.00 1.02 -1.26 -5.10 119.74 119.77 2jk9 s LYS 33 Ca 0.08 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 2jk9 s LYS 33 Cb -0.17 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 2jk9 s LYS 33 CO 0.11 0.52 0.56 -1.25 -0.92 0.00 0.00 175.35 174.38 2jk9 s PRO 34 N -0.34 4.24 0.65 -1.68 0.05 -1.26 -5.08 135.00 131.58 2jk9 s PRO 34 Ca 0.09 0.70 -0.15 0.00 0.05 0.00 0.00 61.00 61.68 2jk9 s PRO 34 Cb -0.12 -3.30 -0.01 0.00 0.05 0.00 0.00 34.50 31.13 2jk9 s PRO 34 CO 0.02 0.49 1.10 0.99 0.05 0.00 0.00 177.00 179.65 2jk9 s THR 35 N -0.57 3.35 0.29 1.26 2.01 -1.26 -4.88 115.64 115.83 2jk9 s THR 35 Ca 0.29 0.62 0.04 0.00 0.31 0.00 0.00 61.69 62.95 2jk9 s THR 35 Cb -0.18 -3.15 0.28 0.00 0.01 0.00 0.00 72.50 69.46 2jk9 s THR 35 CO 0.17 -0.39 1.76 -0.09 -0.69 0.00 0.00 174.62 175.38 2jk9 h ARG 36 N 0.08 0.65 -0.48 4.92 2.43 -1.99 0.72 114.38 120.71 2jk9 h ARG 36 Ca -0.47 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 2jk9 h ARG 36 Cb 1.24 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 2jk9 h ARG 36 CO 0.55 0.43 0.26 1.25 -1.51 0.00 0.00 179.97 180.94 2jk9 h LEU 37 N 0.67 0.39 -0.48 3.80 5.85 -1.99 -0.63 115.31 122.91 2jk9 h LEU 37 Ca 0.55 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2jk9 h LEU 37 Cb 0.86 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2jk9 h LEU 37 CO -0.40 0.27 0.30 0.44 -0.34 0.00 0.00 178.44 178.72 2jk9 h ASP 38 N 0.51 0.56 -0.66 1.25 3.45 -1.31 -1.72 116.42 118.49 2jk9 h ASP 38 Ca 0.20 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 2jk9 h ASP 38 Cb 0.08 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 2jk9 h ASP 38 CO -0.12 0.43 0.28 -0.07 -1.57 0.00 0.00 179.24 178.18 2jk9 h LEU 39 N 0.64 0.92 0.02 1.55 3.38 -0.82 -1.72 115.31 119.27 2jk9 h LEU 39 Ca 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jk9 h LEU 39 Cb -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2jk9 h LEU 39 CO -0.04 0.82 -0.01 0.25 0.09 0.00 0.00 178.44 179.55 2jk9 h LEU 40 N 0.99 -0.02 -2.45 1.67 6.46 -0.67 -2.80 115.31 118.49 2jk9 h LEU 40 Ca 0.23 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jk9 h LEU 40 Cb 0.18 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2jk9 h LEU 40 CO -0.02 0.22 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.93 2jk9 h LEU 41 N -0.26 0.00 0.00 2.25 3.38 -1.19 -2.31 115.31 117.18 2jk9 h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jk9 h LEU 41 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jk9 h LEU 41 CO 0.00 0.02 -0.23 0.47 0.09 0.00 0.00 178.44 178.79 2jk9 n ASP 42 N -3.70 0.74 -4.88 -0.43 9.92 -0.66 -4.84 116.55 112.69 2jk9 n ASP 42 Ca -0.03 0.39 -0.30 0.00 -0.53 0.00 0.00 54.79 54.33 2jk9 n ASP 42 Cb 0.11 -0.42 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 2jk9 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jk9 s MET 43 N -3.12 3.66 0.27 -1.24 0.00 -0.87 -5.02 119.30 112.98 2jk9 s MET 43 Ca 0.09 0.58 -0.30 0.00 0.00 0.00 0.00 55.69 56.06 2jk9 s MET 43 Cb 0.13 -2.22 -0.09 0.00 0.00 0.00 0.00 34.83 32.64 2jk9 s MET 43 CO 0.64 -0.34 1.08 -1.25 0.00 0.00 0.00 175.02 175.16 2jk9 s PRO 44 N -4.68 4.66 0.78 3.16 0.04 -1.26 -4.99 135.00 132.71 2jk9 s PRO 44 Ca 0.53 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 2jk9 s PRO 44 Cb -0.11 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.29 2jk9 s PRO 44 CO 0.44 0.23 1.14 -1.25 0.04 0.00 0.00 177.00 177.61 2jk9 s PRO 45 N -1.33 2.01 0.82 0.56 0.05 -1.26 -4.96 135.00 130.89 2jk9 s PRO 45 Ca 0.44 1.46 -0.11 0.00 0.05 0.00 0.00 61.00 62.85 2jk9 s PRO 45 Cb -0.31 -1.85 0.09 0.00 0.05 0.00 0.00 34.50 32.48 2jk9 s PRO 45 CO 0.40 -1.87 1.14 0.14 0.05 0.00 0.00 177.00 176.85 2jk9 s VAL 46 N -2.49 2.53 1.03 -0.36 -7.23 -0.73 -5.01 120.40 108.13 2jk9 s VAL 46 Ca 0.67 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.91 2jk9 s VAL 46 Cb -0.22 -2.48 0.17 0.00 0.56 0.00 0.00 36.38 34.40 2jk9 s VAL 46 CO 0.51 -0.21 0.83 -1.54 -0.31 0.00 0.00 175.10 174.39 2jk9 n SER 47 N -3.62 -1.08 -0.20 4.85 3.41 -1.26 -4.75 113.62 110.96 2jk9 n SER 47 Ca 0.11 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.82 2jk9 n SER 47 Cb 0.52 -1.30 0.03 0.00 -0.26 0.00 0.00 64.21 63.20 2jk9 n SER 47 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2jk9 h TYR 48 N -2.11 0.74 -0.75 7.33 3.20 -1.99 -1.79 116.97 121.61 2jk9 h TYR 48 Ca -0.50 0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.55 2jk9 h TYR 48 Cb 1.30 -0.25 -0.13 0.00 1.54 0.00 0.00 36.73 39.19 2jk9 h TYR 48 CO 0.37 0.47 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.90 2jk9 h ASP 49 N 0.79 -0.38 -0.29 -2.11 3.32 -1.99 0.25 116.42 116.01 2jk9 h ASP 49 Ca 0.21 0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.32 2jk9 h ASP 49 Cb -0.09 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2jk9 h ASP 49 CO -0.05 -0.18 -0.34 0.58 -1.72 0.00 0.00 179.24 177.54 2jk9 h VAL 50 N 0.09 1.28 -0.44 -1.35 2.07 -1.76 -2.22 116.25 113.92 2jk9 h VAL 50 Ca 0.40 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2jk9 h VAL 50 Cb 0.70 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2jk9 h VAL 50 CO -0.67 0.50 0.22 1.56 0.02 0.00 0.00 177.57 179.20 2jk9 h GLN 51 N 0.69 0.44 -0.57 1.57 4.20 -0.35 -2.31 115.11 118.77 2jk9 h GLN 51 Ca 0.07 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2jk9 h GLN 51 Cb 0.89 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2jk9 h GLN 51 CO 0.08 0.29 0.38 -0.07 -0.67 0.00 0.00 178.83 178.84 2jk9 h LEU 52 N 0.45 0.60 -1.32 1.46 3.38 -0.32 -2.30 115.31 117.26 2jk9 h LEU 52 Ca 0.19 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2jk9 h LEU 52 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jk9 h LEU 52 CO -0.13 0.42 -0.28 -0.07 0.09 0.00 0.00 178.44 178.47 2jk9 h LEU 53 N 0.70 0.00 -2.86 1.67 3.38 -0.85 -2.92 115.31 114.42 2jk9 h LEU 53 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2jk9 h LEU 53 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jk9 h LEU 53 CO -0.06 0.28 0.00 1.41 0.09 0.00 0.00 178.44 180.16 2jk9 n HIS 54 N -3.67 0.92 -2.14 1.13 8.25 -1.00 -4.47 115.22 114.25 2jk9 n HIS 54 Ca -0.01 -0.53 -0.28 0.00 -0.26 0.00 0.00 57.72 56.64 2jk9 n HIS 54 Cb 0.40 -0.05 0.17 0.00 1.12 0.00 0.00 29.99 31.62 2jk9 n HIS 54 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jk9 s SER 55 N -1.01 3.37 0.28 0.41 1.04 -0.90 -4.34 113.70 112.56 2jk9 s SER 55 Ca 0.43 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 2jk9 s SER 55 Cb 0.23 -0.12 -0.13 0.00 0.10 0.00 0.00 66.02 66.10 2jk9 s SER 55 CO 0.27 -2.55 1.31 0.79 0.98 0.00 0.00 173.24 174.05 2jk9 n TRP 56 N -3.53 2.10 -3.09 5.02 5.03 -1.26 -0.75 117.44 120.96 2jk9 n TRP 56 Ca 0.16 0.51 -0.42 0.00 3.03 0.00 0.00 57.50 60.78 2jk9 n TRP 56 Cb 0.60 -2.42 -0.06 0.00 -1.03 0.00 0.00 31.31 28.40 2jk9 n TRP 56 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 2jk9 s ASN 57 N -0.04 6.40 0.00 -0.99 3.84 0.05 -4.70 114.94 119.50 2jk9 s ASN 57 Ca 0.62 -0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.85 2jk9 s ASN 57 Cb -0.63 -2.33 0.84 0.00 -0.55 0.00 0.00 41.25 38.58 2jk9 s ASN 57 CO 0.56 -0.69 1.54 -3.20 -2.79 0.00 0.00 177.10 172.51 2jk9 n ASN 58 N 6.20 0.00 -0.80 -4.21 5.15 -1.26 -1.82 115.26 118.52 2jk9 n ASN 58 Ca -0.01 0.20 0.07 0.00 -0.60 0.00 0.00 54.58 54.24 2jk9 n ASN 58 Cb 0.48 -0.36 0.23 0.00 -0.53 0.00 0.00 39.78 39.61 2jk9 n ASN 58 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jk9 n ASN 59 N -1.36 3.45 -3.08 1.20 4.13 -1.26 -4.70 115.26 113.64 2jk9 n ASN 59 Ca 0.07 -3.14 -0.20 0.00 1.68 0.00 0.00 54.58 52.99 2jk9 n ASN 59 Cb 0.16 -0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 37.82 2jk9 n ASN 59 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2jk9 n ASP 60 N -0.74 -0.66 -3.71 6.41 2.03 -0.75 -5.13 116.55 113.99 2jk9 n ASP 60 Ca 0.22 -2.84 -0.10 0.00 0.52 0.00 0.00 54.79 52.59 2jk9 n ASP 60 Cb 0.88 0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 41.24 2jk9 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jk9 s ARG 61 N -0.65 1.07 0.45 -0.67 1.70 -1.26 -2.14 118.95 117.44 2jk9 s ARG 61 Ca 0.34 -0.81 -0.23 0.00 -0.47 0.00 0.00 55.73 54.56 2jk9 s ARG 61 Cb 0.18 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.91 2jk9 s ARG 61 CO -0.15 -0.41 0.95 0.45 -1.08 0.00 0.00 175.30 175.07 2jk9 n SER 62 N -0.21 0.95 0.32 -2.89 2.88 -0.38 -4.91 113.62 109.39 2jk9 n SER 62 Ca -0.14 0.98 0.22 0.00 -1.33 0.00 0.00 58.87 58.59 2jk9 n SER 62 Cb 0.63 -1.33 1.11 0.00 -0.75 0.00 0.00 64.21 63.87 2jk9 n SER 62 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jk9 h LEU 63 N 1.30 0.00 -2.06 2.46 3.38 -1.92 -3.02 115.31 115.46 2jk9 h LEU 63 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jk9 h LEU 63 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2jk9 h LEU 63 CO 0.55 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.67 2jk9 n ASN 64 N -3.03 2.99 -4.38 -0.43 3.02 -1.26 -4.90 115.26 107.28 2jk9 n ASN 64 Ca -0.02 -2.00 -0.19 0.00 -0.03 0.00 0.00 54.58 52.33 2jk9 n ASN 64 Cb 0.10 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2jk9 n ASN 64 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jk9 s VAL 65 N -1.26 1.28 -0.05 2.41 -7.23 -1.14 -0.75 120.40 113.65 2jk9 s VAL 65 Ca 0.37 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 58.29 2jk9 s VAL 65 Cb 0.19 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2jk9 s VAL 65 CO 0.25 -0.30 0.43 0.72 -0.31 0.00 0.00 175.10 175.90 2jk9 s PHE 66 N -3.25 -0.36 0.05 2.82 -0.12 -0.49 -4.86 117.98 111.77 2jk9 s PHE 66 Ca 0.29 0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 57.54 2jk9 s PHE 66 Cb 0.05 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2jk9 s PHE 66 CO 0.10 -0.41 0.95 0.08 -0.05 0.00 0.00 175.22 175.89 2jk9 s VAL 67 N -0.99 4.70 0.08 -2.49 1.01 -1.26 -1.08 120.40 120.37 2jk9 s VAL 67 Ca -0.10 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 2jk9 s VAL 67 Cb -0.04 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2jk9 s VAL 67 CO 0.05 0.24 1.31 -0.54 0.00 0.00 0.00 175.10 176.16 2jk9 s LYS 68 N 0.50 4.36 0.26 2.72 1.02 -0.29 -4.92 119.74 123.39 2jk9 s LYS 68 Ca 0.49 1.94 -0.01 0.00 0.02 0.00 0.00 55.97 58.41 2jk9 s LYS 68 Cb -0.22 -3.32 0.33 0.00 -0.52 0.00 0.00 37.83 34.10 2jk9 s LYS 68 CO 0.28 -0.38 1.71 0.93 -0.92 0.00 0.00 175.35 176.98 2jk9 h GLU 69 N 6.89 0.66 0.00 1.68 4.39 -1.95 -2.61 114.58 123.64 2jk9 h GLU 69 Ca -0.41 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2jk9 h GLU 69 Cb 1.21 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2jk9 h GLU 69 CO 0.85 0.79 0.00 0.38 -1.16 0.00 0.00 179.01 179.87 2jk9 h ASP 70 N 0.59 0.00 -1.76 1.42 2.03 -1.99 -3.41 116.42 113.31 2jk9 h ASP 70 Ca 0.10 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.19 2jk9 h ASP 70 Cb 0.61 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 38.82 2jk9 h ASP 70 CO 0.04 0.00 -0.55 -0.62 -1.03 0.00 0.00 179.24 177.08 2jk9 s ASP 71 N -5.35 0.55 0.00 4.15 -1.08 -1.00 -5.04 116.67 108.90 2jk9 s ASP 71 Ca 0.06 -0.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.92 2jk9 s ASP 71 Cb 0.08 1.03 1.19 0.00 -1.46 0.00 0.00 42.92 43.76 2jk9 s ASP 71 CO 0.58 -0.36 1.87 0.29 0.52 0.00 0.00 175.17 178.08 2jk9 n LYS 72 N 5.34 0.08 0.00 4.34 4.76 -1.11 -2.07 118.16 129.50 2jk9 n LYS 72 Ca 0.00 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 2jk9 n LYS 72 Cb 0.49 -1.50 0.62 0.00 -1.84 0.00 0.00 35.03 32.80 2jk9 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2jk9 n LEU 73 N -1.46 0.00 -4.27 -0.35 4.77 -1.26 -4.47 117.00 109.96 2jk9 n LEU 73 Ca 0.08 0.27 -0.32 0.00 -0.03 0.00 0.00 56.01 56.02 2jk9 n LEU 73 Cb 0.29 -0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 2jk9 n LEU 73 CO 0.24 -0.05 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.06 2jk9 s ILE 74 N -2.55 2.14 0.23 -0.08 1.01 -0.88 -1.58 121.20 119.50 2jk9 s ILE 74 Ca 0.24 -1.03 0.09 0.00 0.00 0.00 0.00 60.65 59.95 2jk9 s ILE 74 Cb 0.16 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2jk9 s ILE 74 CO 0.37 0.57 -0.04 0.72 0.00 0.00 0.00 174.94 176.56 2jk9 s PHE 75 N -0.06 2.68 -0.04 3.97 -0.12 -0.77 -1.14 117.98 122.50 2jk9 s PHE 75 Ca -0.07 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 56.62 2jk9 s PHE 75 Cb -0.15 -1.24 0.01 0.00 -0.63 0.00 0.00 43.02 41.02 2jk9 s PHE 75 CO 0.05 0.58 -0.09 -1.58 -0.05 0.00 0.00 175.22 174.13 2jk9 s HIS 76 N -2.08 1.08 -0.23 3.49 5.65 -0.24 -1.31 115.29 121.65 2jk9 s HIS 76 Ca 0.29 -0.32 -0.12 0.00 0.25 0.00 0.00 55.06 55.16 2jk9 s HIS 76 Cb -0.07 -0.81 -0.05 0.00 -1.18 0.00 0.00 32.58 30.47 2jk9 s HIS 76 CO 0.18 -0.17 0.21 0.50 -0.65 0.00 0.00 174.74 174.80 2jk9 s ARG 77 N 0.49 4.09 0.54 2.88 3.52 -0.64 -1.39 118.95 128.45 2jk9 s ARG 77 Ca -0.09 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.12 2jk9 s ARG 77 Cb -0.12 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 2jk9 s ARG 77 CO 0.01 0.05 1.35 -1.01 -0.81 0.00 0.00 175.30 174.90 2jk9 s HIS 78 N 1.08 2.31 -1.23 5.12 3.76 0.07 0.19 115.29 126.59 2jk9 s HIS 78 Ca 0.10 1.38 -0.11 0.00 -0.15 0.00 0.00 55.06 56.27 2jk9 s HIS 78 Cb -0.14 -3.79 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 2jk9 s HIS 78 CO 0.05 -2.85 2.38 -0.35 -0.85 0.00 0.00 174.74 173.12 2jk9 n PRO 79 N -0.98 2.67 -3.22 8.40 -0.04 -1.26 -4.56 135.00 136.00 2jk9 n PRO 79 Ca 0.10 -1.99 -0.40 0.00 -0.04 0.00 0.00 63.50 61.17 2jk9 n PRO 79 Cb 0.45 -2.81 -0.07 0.00 -0.04 0.00 0.00 33.50 31.03 2jk9 n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jk9 s VAL 80 N 3.23 5.08 0.43 0.52 1.01 -1.26 -4.99 120.40 124.43 2jk9 s VAL 80 Ca 0.54 0.97 -0.24 0.00 0.00 0.00 0.00 61.98 63.25 2jk9 s VAL 80 Cb 0.14 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2jk9 s VAL 80 CO -0.03 0.14 1.19 0.00 0.00 0.00 0.00 175.10 176.40 2jk9 s ALA 81 N 1.87 3.06 -1.25 5.51 0.00 -1.26 -3.88 121.76 125.81 2jk9 s ALA 81 Ca 0.24 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2jk9 s ALA 81 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2jk9 s ALA 81 CO 0.09 -0.65 0.67 1.04 0.00 0.00 0.00 175.76 176.91 2jk9 n GLN 82 N -0.23 -2.75 -3.74 0.00 1.13 -1.26 -4.91 117.38 105.62 2jk9 n GLN 82 Ca 0.06 0.50 -0.12 0.00 -1.94 0.00 0.00 57.00 55.49 2jk9 n GLN 82 Cb 0.47 -4.57 -0.11 0.00 0.11 0.00 0.00 30.24 26.14 2jk9 n GLN 82 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2jk9 s SER 83 N -3.94 -0.38 -0.08 1.08 0.15 -1.18 -0.81 113.70 108.53 2jk9 s SER 83 Ca 0.22 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.62 2jk9 s SER 83 Cb -0.08 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2jk9 s SER 83 CO 0.85 -0.14 -0.17 -0.89 1.20 0.00 0.00 173.24 174.09 2jk9 s THR 84 N 0.56 2.80 -0.01 6.45 2.01 -0.32 -4.61 115.64 122.52 2jk9 s THR 84 Ca -0.03 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2jk9 s THR 84 Cb -0.05 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.36 2jk9 s THR 84 CO -0.03 0.56 -0.03 -1.81 -0.69 0.00 0.00 174.62 172.62 2jk9 s ASP 85 N -0.20 0.50 0.29 3.53 1.01 -0.07 -1.79 116.67 119.95 2jk9 s ASP 85 Ca -0.01 -0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.23 2jk9 s ASP 85 Cb -0.13 -0.13 -0.06 0.00 1.01 0.00 0.00 42.92 43.61 2jk9 s ASP 85 CO 0.03 0.01 0.00 0.00 0.21 0.00 0.00 175.17 175.43 2jk9 s ALA 86 N 0.24 2.27 -0.19 5.23 0.00 -0.00 -0.51 121.76 128.80 2jk9 s ALA 86 Ca -0.02 -1.96 -0.18 0.00 0.00 0.00 0.00 51.96 49.80 2jk9 s ALA 86 Cb -0.05 0.45 0.05 0.00 0.00 0.00 0.00 23.12 23.56 2jk9 s ALA 86 CO -0.00 -0.21 0.52 -1.50 0.00 0.00 0.00 175.76 174.56 2jk9 s ILE 87 N -3.20 0.00 0.03 0.00 2.07 -1.17 -1.25 121.20 117.67 2jk9 s ILE 87 Ca 0.32 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.54 2jk9 s ILE 87 Cb 0.06 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 2jk9 s ILE 87 CO 0.13 -0.01 0.18 -0.13 -1.91 0.00 0.00 174.94 173.20 2jk9 s ARG 88 N 0.20 3.37 0.87 3.50 0.52 -0.91 -3.39 118.95 123.11 2jk9 s ARG 88 Ca -0.01 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2jk9 s ARG 88 Cb -0.04 -3.03 0.12 0.00 0.52 0.00 0.00 34.95 32.53 2jk9 s ARG 88 CO 0.01 0.63 1.17 0.20 0.02 0.00 0.00 175.30 177.33 2jk9 s GLY 89 N -2.23 1.85 0.46 -3.53 0.00 -0.11 -0.77 107.32 103.00 2jk9 s GLY 89 Ca 0.31 0.67 0.25 0.00 0.00 0.00 0.00 44.72 45.95 2jk9 s GLY 89 CO 0.23 1.09 1.91 0.50 0.00 0.00 0.00 173.10 176.83 2jk9 h LYS 90 N -1.51 0.00 -5.08 2.90 1.57 -1.13 -3.42 116.57 109.90 2jk9 h LYS 90 Ca -0.44 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.67 2jk9 h LYS 90 Cb 1.28 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.27 2jk9 h LYS 90 CO 0.43 0.20 -0.80 0.08 -0.57 0.00 0.00 179.45 178.80 2jk9 s VAL 91 N -3.85 2.66 -0.32 0.50 1.01 -1.26 -5.03 120.40 114.11 2jk9 s VAL 91 Ca -0.01 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 2jk9 s VAL 91 Cb 0.11 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2jk9 s VAL 91 CO 0.62 0.49 0.54 -0.83 0.00 0.00 0.00 175.10 175.93 2jk9 s GLY 92 N 1.21 1.81 0.01 4.51 0.00 -1.26 -4.36 107.32 109.24 2jk9 s GLY 92 Ca 0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.65 2jk9 s GLY 92 CO -0.06 1.31 0.78 -0.19 0.00 0.00 0.00 173.10 174.94 2jk9 s TYR 93 N 2.44 3.69 -0.03 1.90 2.02 0.15 -4.57 117.35 122.96 2jk9 s TYR 93 Ca 0.21 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.39 2jk9 s TYR 93 Cb -0.15 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 2jk9 s TYR 93 CO 0.12 0.19 0.07 0.25 -1.57 0.00 0.00 175.55 174.61 2jk9 n THR 94 N 3.18 0.00 -3.65 -0.71 -2.24 -1.26 -1.46 114.28 108.13 2jk9 n THR 94 Ca -0.01 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2jk9 n THR 94 Cb 0.51 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2jk9 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jk9 s ARG 95 N -2.01 1.35 0.00 -0.78 1.70 -1.26 -4.71 118.95 113.24 2jk9 s ARG 95 Ca -0.01 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.50 2jk9 s ARG 95 Cb 0.02 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2jk9 s ARG 95 CO 0.11 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 174.17 2jk9 n GLY 96 N -0.35 -0.89 3.73 3.88 0.00 -1.26 -4.74 105.19 105.56 2jk9 n GLY 96 Ca -0.12 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2jk9 n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jk9 s LEU 97 N -2.79 3.98 -0.01 0.99 2.96 -0.75 -0.36 118.68 122.69 2jk9 s LEU 97 Ca 0.00 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2jk9 s LEU 97 Cb 0.00 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2jk9 s LEU 97 CO 0.00 0.29 0.02 -1.00 -1.32 0.00 0.00 176.35 174.34 2jk9 s HIS 98 N -0.33 0.02 -0.08 5.38 3.76 0.25 -0.77 115.29 123.53 2jk9 s HIS 98 Ca 0.09 0.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2jk9 s HIS 98 Cb -0.12 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.44 2jk9 s HIS 98 CO 0.02 -0.06 -0.10 0.08 -0.85 0.00 0.00 174.74 173.83 2jk9 s VAL 99 N 0.69 1.00 0.14 -0.90 1.01 -0.72 -0.78 120.40 120.84 2jk9 s VAL 99 Ca -0.06 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2jk9 s VAL 99 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2jk9 s VAL 99 CO -0.02 0.34 -0.17 -1.66 0.00 0.00 0.00 175.10 173.59 2jk9 s TRP 100 N 1.01 1.65 -0.18 5.22 -2.14 -0.61 -0.99 118.94 122.90 2jk9 s TRP 100 Ca -0.08 -0.50 -0.12 0.00 2.66 0.00 0.00 56.10 58.06 2jk9 s TRP 100 Cb -0.15 -0.84 -0.05 0.00 -3.10 0.00 0.00 33.47 29.33 2jk9 s TRP 100 CO -0.00 0.25 0.21 -1.14 -2.66 0.00 0.00 176.95 173.61 2jk9 s GLN 101 N -2.69 4.22 -0.16 3.25 0.74 0.08 -0.08 119.66 125.02 2jk9 s GLN 101 Ca 0.12 -0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.42 2jk9 s GLN 101 Cb -0.06 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 2jk9 s GLN 101 CO 0.05 0.27 0.01 -1.50 -0.55 0.00 0.00 175.29 173.57 2jk9 s ILE 102 N 0.41 4.34 -0.17 -2.34 1.10 -0.41 -0.62 121.20 123.51 2jk9 s ILE 102 Ca 0.12 -0.20 -0.00 0.00 -0.51 0.00 0.00 60.65 60.06 2jk9 s ILE 102 Cb -0.12 -2.92 0.00 0.00 0.15 0.00 0.00 42.46 39.57 2jk9 s ILE 102 CO 0.01 0.49 -0.14 -0.89 -2.11 0.00 0.00 174.94 172.30 2jk9 s THR 103 N 0.23 2.70 -0.31 4.00 2.01 -0.25 -1.92 115.64 122.10 2jk9 s THR 103 Ca 0.01 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 2jk9 s THR 103 Cb -0.13 -2.16 0.13 0.00 0.01 0.00 0.00 72.50 70.35 2jk9 s THR 103 CO 0.02 0.50 0.27 0.86 -0.69 0.00 0.00 174.62 175.58 2jk9 s TRP 104 N 1.02 -0.19 0.12 4.92 -0.11 0.23 -0.98 118.94 123.95 2jk9 s TRP 104 Ca -0.01 -0.56 -0.35 0.00 1.22 0.00 0.00 56.10 56.39 2jk9 s TRP 104 Cb -0.15 -0.57 -0.16 0.00 -1.50 0.00 0.00 33.47 31.10 2jk9 s TRP 104 CO -0.03 -0.91 1.37 0.00 -4.62 0.00 0.00 176.95 172.77 2jk9 n ALA 105 N 4.98 -0.36 -0.34 5.86 0.00 -1.26 -4.54 120.51 124.84 2jk9 n ALA 105 Ca 0.01 0.49 0.13 0.00 0.00 0.00 0.00 53.44 54.07 2jk9 n ALA 105 Cb 0.44 -2.14 0.33 0.00 0.00 0.00 0.00 19.45 18.09 2jk9 n ALA 105 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jk9 h MET 106 N 4.71 0.74 0.00 0.00 0.00 -1.91 -1.16 114.93 117.31 2jk9 h MET 106 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.19 2jk9 h MET 106 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 31.60 32.75 2jk9 h MET 106 CO 0.79 0.49 0.00 0.07 0.00 0.00 0.00 176.91 178.26 2jk9 h ARG 107 N 0.76 0.00 -0.49 1.72 0.11 -2.01 -2.95 114.38 111.53 2jk9 h ARG 107 Ca 0.55 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.50 2jk9 h ARG 107 Cb 0.85 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.85 2jk9 h ARG 107 CO -0.33 0.00 0.10 1.04 0.10 0.00 0.00 179.97 180.88 2jk9 n GLN 108 N -2.36 3.05 -0.05 0.08 6.02 -0.44 -4.60 117.38 119.08 2jk9 n GLN 108 Ca 0.02 -3.03 -0.10 0.00 -0.01 0.00 0.00 57.00 53.88 2jk9 n GLN 108 Cb 0.24 -2.00 -0.15 0.00 1.02 0.00 0.00 30.24 29.35 2jk9 n GLN 108 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jk9 n ARG 109 N -0.49 0.66 0.00 -1.09 1.74 -1.11 -4.66 116.66 111.70 2jk9 n ARG 109 Ca 0.32 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2jk9 n ARG 109 Cb 1.14 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 2jk9 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jk9 n GLY 110 N 1.67 0.91 0.21 -0.13 0.00 -1.26 -3.90 105.19 102.69 2jk9 n GLY 110 Ca -0.24 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.17 2jk9 n GLY 110 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jk9 h THR 111 N 0.00 0.10 -2.09 2.61 1.35 -1.98 -3.42 112.91 109.48 2jk9 h THR 111 Ca 0.00 -1.14 -0.43 0.00 -0.55 0.00 0.00 66.41 64.29 2jk9 h THR 111 Cb 0.00 2.05 -0.33 0.00 -1.73 0.00 0.00 68.15 68.14 2jk9 h THR 111 CO 0.00 0.06 -0.74 -1.00 -0.25 0.00 0.00 175.52 173.59 2jk9 s HIS 112 N -3.18 0.01 -0.30 4.73 3.76 -1.25 -4.95 115.29 114.10 2jk9 s HIS 112 Ca 0.07 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 53.82 2jk9 s HIS 112 Cb 0.05 -0.54 0.05 0.00 1.11 0.00 0.00 32.58 33.26 2jk9 s HIS 112 CO 0.68 -0.94 -0.00 0.00 -0.85 0.00 0.00 174.74 173.63 2jk9 s ALA 113 N 1.19 2.81 -0.05 -1.40 0.00 -1.25 -3.74 121.76 119.31 2jk9 s ALA 113 Ca 0.19 -1.75 0.04 0.00 0.00 0.00 0.00 51.96 50.44 2jk9 s ALA 113 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2jk9 s ALA 113 CO -0.03 -1.26 -0.16 0.08 0.00 0.00 0.00 175.76 174.39 2jk9 s VAL 114 N 1.25 1.36 -0.04 0.00 1.01 -0.82 -0.91 120.40 122.25 2jk9 s VAL 114 Ca -0.05 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2jk9 s VAL 114 Cb -0.20 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2jk9 s VAL 114 CO -0.01 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.62 2jk9 s VAL 115 N 0.24 1.42 0.00 2.92 1.01 -0.23 -1.18 120.40 124.57 2jk9 s VAL 115 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2jk9 s VAL 115 Cb -0.13 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2jk9 s VAL 115 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2jk9 n GLY 116 N 3.07 1.09 3.21 4.51 0.00 -0.44 -0.36 105.19 116.27 2jk9 n GLY 116 Ca -0.18 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2jk9 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jk9 s VAL 117 N 1.02 0.79 0.04 1.61 -7.23 -0.65 -1.51 120.40 114.47 2jk9 s VAL 117 Ca 0.00 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 2jk9 s VAL 117 Cb 0.00 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 35.09 2jk9 s VAL 117 CO 0.00 -0.70 0.34 0.00 -0.31 0.00 0.00 175.10 174.43 2jk9 s ALA 118 N -3.57 -0.80 0.90 1.32 0.00 -0.34 -1.41 121.76 117.86 2jk9 s ALA 118 Ca 0.17 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 2jk9 s ALA 118 Cb 0.05 0.32 0.13 0.00 0.00 0.00 0.00 23.12 23.62 2jk9 s ALA 118 CO -0.01 -0.42 1.14 0.95 0.00 0.00 0.00 175.76 177.42 2jk9 s THR 119 N -2.48 2.01 -0.06 0.00 -4.23 -0.05 -0.57 115.64 110.26 2jk9 s THR 119 Ca -0.05 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.72 2jk9 s THR 119 Cb -0.01 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.32 2jk9 s THR 119 CO -0.03 -0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.84 2jk9 h ALA 120 N -1.46 1.00 -0.02 3.99 0.00 -1.89 -2.98 119.26 117.90 2jk9 h ALA 120 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jk9 h ALA 120 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jk9 h ALA 120 CO 0.62 0.00 -0.36 -0.25 0.00 0.00 0.00 179.25 179.26 2jk9 n ASP 121 N -2.41 1.93 -4.76 0.00 8.00 -1.26 -4.95 116.55 113.10 2jk9 n ASP 121 Ca -0.01 -1.45 -0.41 0.00 0.71 0.00 0.00 54.79 53.63 2jk9 n ASP 121 Cb 0.06 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 2jk9 n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jk9 s ALA 122 N -2.41 3.46 0.33 2.24 0.00 -1.13 -4.99 121.76 119.27 2jk9 s ALA 122 Ca 0.21 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2jk9 s ALA 122 Cb 0.19 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 2jk9 s ALA 122 CO 0.52 -0.44 1.31 -1.25 0.00 0.00 0.00 175.76 175.90 2jk9 s PRO 123 N -1.51 4.35 0.00 0.00 0.04 -1.26 -4.95 135.00 131.67 2jk9 s PRO 123 Ca 0.48 2.22 0.18 0.00 0.04 0.00 0.00 61.00 63.92 2jk9 s PRO 123 Cb -0.36 -3.07 0.41 0.00 0.04 0.00 0.00 34.50 31.52 2jk9 s PRO 123 CO 0.47 -0.19 1.34 1.28 0.04 0.00 0.00 177.00 179.94 2jk9 n LEU 124 N 0.86 3.29 -3.69 -3.56 4.77 -1.26 -4.88 117.00 112.53 2jk9 n LEU 124 Ca 0.00 -1.71 -0.14 0.00 -0.03 0.00 0.00 56.01 54.13 2jk9 n LEU 124 Cb 0.42 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 2jk9 n LEU 124 CO 0.59 0.77 0.18 -2.28 -1.33 0.00 0.00 177.39 175.31 2jk9 s HIS 125 N -1.17 -0.49 0.07 -1.77 5.04 -1.26 -0.82 115.29 114.89 2jk9 s HIS 125 Ca 0.35 1.10 0.04 0.00 -1.54 0.00 0.00 55.06 55.01 2jk9 s HIS 125 Cb 0.19 0.19 -0.03 0.00 0.04 0.00 0.00 32.58 32.98 2jk9 s HIS 125 CO 0.26 -0.32 -0.10 -1.12 -2.34 0.00 0.00 174.74 171.11 2jk9 s SER 126 N -0.20 1.32 0.51 9.88 0.01 -0.74 -5.01 113.70 119.48 2jk9 s SER 126 Ca -0.04 -0.69 -0.20 0.00 1.31 0.00 0.00 55.95 56.33 2jk9 s SER 126 Cb -0.03 0.00 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 2jk9 s SER 126 CO 0.02 -0.20 1.08 -0.69 0.41 0.00 0.00 173.24 173.86 2jk9 s VAL 127 N -1.86 3.48 0.00 3.43 1.01 -1.26 -1.17 120.40 124.03 2jk9 s VAL 127 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2jk9 s VAL 127 Cb -0.07 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2jk9 s VAL 127 CO 0.01 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.52 2jk9 n GLY 128 N -0.04 -1.44 3.41 4.51 0.00 0.01 -4.75 105.19 106.89 2jk9 n GLY 128 Ca 0.10 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 2jk9 n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jk9 s TYR 129 N -1.27 3.17 0.23 1.61 2.02 -1.26 -2.03 117.35 119.82 2jk9 s TYR 129 Ca 0.00 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 2jk9 s TYR 129 Cb 0.00 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2jk9 s TYR 129 CO 0.00 -0.49 0.39 -0.08 -1.57 0.00 0.00 175.55 173.80 2jk9 s THR 130 N 1.58 0.00 -1.37 -0.71 -1.32 -1.26 -5.02 115.64 107.54 2jk9 s THR 130 Ca 0.04 -1.54 -0.12 0.00 -1.21 0.00 0.00 61.69 58.85 2jk9 s THR 130 Cb -0.17 -2.26 0.09 0.00 -1.51 0.00 0.00 72.50 68.66 2jk9 s THR 130 CO 0.05 -0.01 2.04 0.35 -2.21 0.00 0.00 174.62 174.84 2jk9 n THR 131 N -0.35 3.85 -0.03 5.08 -2.24 -1.26 -4.80 114.28 114.52 2jk9 n THR 131 Ca -0.01 -3.66 -0.10 0.00 -2.27 0.00 0.00 64.05 58.01 2jk9 n THR 131 Cb 0.63 -2.49 -0.04 0.00 -2.10 0.00 0.00 70.33 66.33 2jk9 n THR 131 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jk9 h LEU 132 N 9.33 0.15 -8.70 3.22 5.85 -1.96 -2.90 115.31 120.30 2jk9 h LEU 132 Ca 0.49 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.66 2jk9 h LEU 132 Cb 0.66 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2jk9 h LEU 132 CO 1.74 0.11 1.25 -0.69 -0.34 0.00 0.00 178.44 180.52 2jk9 s VAL 133 N -6.18 3.53 0.00 1.05 1.01 -1.26 -2.60 120.40 115.95 2jk9 s VAL 133 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2jk9 s VAL 133 Cb 0.08 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2jk9 s VAL 133 CO 0.69 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2jk9 n GLY 134 N 5.45 1.13 0.28 4.51 0.00 -1.25 -4.13 105.19 111.17 2jk9 n GLY 134 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2jk9 n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jk9 n ASN 135 N 0.00 0.79 -3.20 1.61 3.02 -1.07 -0.90 115.26 115.50 2jk9 n ASN 135 Ca 0.00 -2.02 -0.10 0.00 -0.03 0.00 0.00 54.58 52.44 2jk9 n ASN 135 Cb 0.00 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2jk9 n ASN 135 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jk9 s ASN 136 N -0.91 0.13 0.28 6.41 2.20 -1.26 -4.17 114.94 117.62 2jk9 s ASN 136 Ca 0.08 -1.11 0.25 0.00 -0.94 0.00 0.00 52.86 51.14 2jk9 s ASN 136 Cb 0.05 0.78 1.00 0.00 -2.00 0.00 0.00 41.25 41.08 2jk9 s ASN 136 CO 0.05 -1.53 1.74 0.45 -2.94 0.00 0.00 177.10 174.88 2jk9 h HIS 137 N 2.04 0.00 -0.38 1.54 3.86 -1.91 0.90 115.15 121.19 2jk9 h HIS 137 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2jk9 h HIS 137 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jk9 h HIS 137 CO 1.18 0.00 0.00 0.39 0.86 0.00 0.00 177.93 180.36 2jk9 n GLU 138 N -2.33 2.52 -3.78 2.45 -0.58 -1.26 -4.86 120.64 112.81 2jk9 n GLU 138 Ca 0.02 -2.30 -0.12 0.00 -0.42 0.00 0.00 57.16 54.35 2jk9 n GLU 138 Cb 0.25 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 2jk9 n GLU 138 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jk9 s SER 139 N -1.51 -0.10 -0.06 1.62 1.04 -1.23 -0.87 113.70 112.59 2jk9 s SER 139 Ca 0.39 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 2jk9 s SER 139 Cb 0.23 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2jk9 s SER 139 CO 0.32 -0.56 0.05 0.26 0.98 0.00 0.00 173.24 174.29 2jk9 s TRP 140 N -2.28 0.23 0.02 5.02 0.51 -0.50 -4.03 118.94 117.91 2jk9 s TRP 140 Ca -0.07 0.08 0.01 0.00 -2.12 0.00 0.00 56.10 54.00 2jk9 s TRP 140 Cb -0.02 -0.58 -0.02 0.00 -0.81 0.00 0.00 33.47 32.04 2jk9 s TRP 140 CO -0.02 -0.26 -0.05 0.20 -0.51 0.00 0.00 176.95 176.31 2jk9 s GLY 141 N 2.12 0.31 -0.34 0.98 0.00 -0.21 -1.64 107.32 108.55 2jk9 s GLY 141 Ca 0.05 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 2jk9 s GLY 141 CO -0.04 -0.55 0.23 0.86 0.00 0.00 0.00 173.10 173.60 2jk9 s TRP 142 N -1.01 3.23 -0.53 1.90 -0.00 0.51 -0.20 118.94 122.83 2jk9 s TRP 142 Ca -0.09 -0.22 -0.29 0.00 -0.00 0.00 0.00 56.10 55.51 2jk9 s TRP 142 Cb -0.07 -2.47 0.03 0.00 -0.00 0.00 0.00 33.47 30.96 2jk9 s TRP 142 CO -0.00 -0.36 1.16 0.34 -0.00 0.00 0.00 176.95 178.09 2jk9 s ASP 143 N 1.72 6.53 0.27 5.86 -1.08 0.47 -1.07 116.67 129.37 2jk9 s ASP 143 Ca 0.06 0.27 -0.04 0.00 -0.52 0.00 0.00 52.55 52.32 2jk9 s ASP 143 Cb -0.17 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.09 2jk9 s ASP 143 CO 0.10 -1.37 1.95 -0.07 0.52 0.00 0.00 175.17 176.30 2jk9 h LEU 144 N 11.58 1.05 -0.25 -1.34 3.38 -1.33 -0.34 115.31 128.06 2jk9 h LEU 144 Ca -0.24 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 2jk9 h LEU 144 Cb 1.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jk9 h LEU 144 CO 1.16 0.77 -0.68 1.23 0.09 0.00 0.00 178.44 181.00 2jk9 h GLY 145 N 1.24 0.85 1.20 0.83 0.00 -1.92 -3.29 103.07 101.99 2jk9 h GLY 145 Ca 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2jk9 h GLY 145 CO -0.07 1.00 -0.55 0.54 0.00 0.00 0.00 176.54 177.46 2jk9 n ARG 146 N -3.95 0.23 -3.68 4.80 1.74 -1.13 -4.96 116.66 109.71 2jk9 n ARG 146 Ca -0.06 0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.84 2jk9 n ARG 146 Cb 0.70 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2jk9 n ARG 146 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jk9 n ASN 147 N -1.98 -3.53 -3.87 0.55 5.03 -0.15 -4.92 115.26 106.38 2jk9 n ASN 147 Ca 0.04 -0.92 -0.11 0.00 0.87 0.00 0.00 54.58 54.45 2jk9 n ASN 147 Cb 0.42 -3.74 -0.11 0.00 -1.02 0.00 0.00 39.78 35.33 2jk9 n ASN 147 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2jk9 s ARG 148 N -5.88 0.39 -0.15 3.52 0.52 -1.13 -1.86 118.95 114.36 2jk9 s ARG 148 Ca 0.27 -0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 55.12 2jk9 s ARG 148 Cb -0.08 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2jk9 s ARG 148 CO 0.84 -0.09 0.10 -0.51 0.02 0.00 0.00 175.30 175.66 2jk9 s LEU 149 N -1.06 4.08 -0.06 2.53 1.43 0.15 -0.40 118.68 125.36 2jk9 s LEU 149 Ca -0.11 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2jk9 s LEU 149 Cb -0.06 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2jk9 s LEU 149 CO 0.01 0.30 -0.16 -0.31 0.23 0.00 0.00 176.35 176.41 2jk9 s TYR 150 N -0.35 1.76 -0.17 0.29 2.02 0.72 -2.02 117.35 119.60 2jk9 s TYR 150 Ca 0.10 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 56.09 2jk9 s TYR 150 Cb -0.12 -1.22 0.06 0.00 -0.40 0.00 0.00 41.96 40.28 2jk9 s TYR 150 CO 0.01 -0.25 0.42 -1.58 -1.57 0.00 0.00 175.55 172.58 2jk9 s HIS 151 N 0.33 -0.61 -1.40 2.71 5.65 -1.15 -1.05 115.29 119.77 2jk9 s HIS 151 Ca -0.11 1.31 -0.05 0.00 0.25 0.00 0.00 55.06 56.47 2jk9 s HIS 151 Cb -0.14 0.27 0.03 0.00 -1.18 0.00 0.00 32.58 31.56 2jk9 s HIS 151 CO 0.04 -0.34 0.73 -3.47 -0.65 0.00 0.00 174.74 171.05 2jk9 n ASP 152 N 4.13 -2.12 0.12 9.88 2.03 0.31 -4.59 116.55 126.31 2jk9 n ASP 152 Ca -0.22 -0.85 0.20 0.00 0.52 0.00 0.00 54.79 54.44 2jk9 n ASP 152 Cb 0.56 -3.78 0.75 0.00 -0.72 0.00 0.00 41.12 37.93 2jk9 n ASP 152 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jk9 h GLY 153 N -1.91 0.00 2.00 0.27 0.00 -1.19 -0.48 103.07 101.75 2jk9 h GLY 153 Ca -0.61 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2jk9 h GLY 153 CO 0.61 0.00 -0.19 0.50 0.00 0.00 0.00 176.54 177.47 2jk9 h LYS 154 N 0.00 0.00 0.00 4.80 6.56 -1.85 -3.35 116.57 122.73 2jk9 h LYS 154 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2jk9 h LYS 154 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2jk9 h LYS 154 CO -0.00 0.19 -0.32 0.09 -2.06 0.00 0.00 179.45 177.34 2jk9 n ASN 155 N -3.50 1.61 -4.05 0.86 3.02 -0.52 -5.07 115.26 107.62 2jk9 n ASN 155 Ca -0.01 -0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.17 2jk9 n ASN 155 Cb 0.35 0.79 -0.12 0.00 -0.61 0.00 0.00 39.78 40.18 2jk9 n ASN 155 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jk9 s GLN 156 N -1.11 0.55 0.53 3.52 -0.21 -0.31 -5.13 119.66 117.50 2jk9 s GLN 156 Ca 0.00 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.57 2jk9 s GLN 156 Cb 0.00 -0.40 -0.06 0.00 1.00 0.00 0.00 33.01 33.55 2jk9 s GLN 156 CO 0.00 0.09 1.10 -1.25 -2.12 0.00 0.00 175.29 173.11 2jk9 s PRO 157 N -1.17 3.46 0.85 2.91 0.04 -1.26 -4.40 135.00 135.43 2jk9 s PRO 157 Ca -0.06 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2jk9 s PRO 157 Cb -0.08 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.54 2jk9 s PRO 157 CO 0.00 -0.74 1.09 -1.54 0.04 0.00 0.00 177.00 175.85 2jk9 s SER 158 N -1.86 3.88 0.01 6.66 1.04 -1.26 -4.82 113.70 117.35 2jk9 s SER 158 Ca 0.71 1.49 0.04 0.00 0.48 0.00 0.00 55.95 58.67 2jk9 s SER 158 Cb -0.22 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 2jk9 s SER 158 CO 0.25 -2.38 -0.13 -0.54 0.98 0.00 0.00 173.24 171.42 2jk9 s LYS 159 N -4.98 0.98 0.27 4.02 1.02 -0.86 -4.94 119.74 115.26 2jk9 s LYS 159 Ca 0.62 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 2jk9 s LYS 159 Cb -0.17 -0.96 -0.11 0.00 -0.52 0.00 0.00 37.83 36.07 2jk9 s LYS 159 CO 0.56 0.25 1.52 0.99 -0.92 0.00 0.00 175.35 177.76 2jk9 s THR 160 N -0.49 2.36 -0.21 2.17 2.01 -1.26 0.33 115.64 120.55 2jk9 s THR 160 Ca 0.04 0.30 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 2jk9 s THR 160 Cb -0.06 -3.19 0.07 0.00 0.01 0.00 0.00 72.50 69.33 2jk9 s THR 160 CO 0.00 0.05 0.52 -0.47 -0.69 0.00 0.00 174.62 174.03 2jk9 s TYR 161 N 0.01 -0.78 0.55 4.92 5.04 -0.78 -3.94 117.35 122.37 2jk9 s TYR 161 Ca 0.61 1.61 -0.20 0.00 -2.44 0.00 0.00 57.07 56.65 2jk9 s TYR 161 Cb -0.45 0.41 -0.05 0.00 0.35 0.00 0.00 41.96 42.22 2jk9 s TYR 161 CO 0.45 -0.41 1.23 -1.25 -1.34 0.00 0.00 175.55 174.23 2jk9 s PRO 162 N 1.49 3.20 0.10 4.97 0.04 -1.26 -4.06 135.00 139.49 2jk9 s PRO 162 Ca -0.10 1.90 0.16 0.00 0.04 0.00 0.00 61.00 63.01 2jk9 s PRO 162 Cb -0.07 -2.11 0.70 0.00 0.04 0.00 0.00 34.50 33.05 2jk9 s PRO 162 CO -0.16 -1.04 1.50 0.00 0.04 0.00 0.00 177.00 177.34 2jk9 n ALA 163 N -1.20 1.55 0.24 8.56 0.00 -1.25 -2.11 120.51 126.29 2jk9 n ALA 163 Ca 0.11 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2jk9 n ALA 163 Cb 0.48 -1.26 0.42 0.00 0.00 0.00 0.00 19.45 19.09 2jk9 n ALA 163 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jk9 h PHE 164 N 0.00 0.00 -3.46 0.00 -5.15 -1.93 -3.46 116.94 102.94 2jk9 h PHE 164 Ca 0.00 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.24 2jk9 h PHE 164 Cb 0.24 0.00 0.09 0.00 0.22 0.00 0.00 35.95 36.50 2jk9 h PHE 164 CO 0.00 0.08 0.87 -0.51 -2.00 0.00 0.00 178.31 176.75 2jk9 s LEU 165 N -6.32 4.34 0.58 2.10 1.43 -0.90 -5.01 118.68 114.91 2jk9 s LEU 165 Ca 0.03 2.99 -0.16 0.00 -1.03 0.00 0.00 54.13 55.97 2jk9 s LEU 165 Cb 0.08 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2jk9 s LEU 165 CO 0.62 -0.92 1.05 -1.61 0.23 0.00 0.00 176.35 175.71 2jk9 s GLU 166 N -0.85 3.42 0.19 1.70 0.41 -1.26 -4.92 118.70 117.38 2jk9 s GLU 166 Ca 0.61 1.16 -0.05 0.00 -0.41 0.00 0.00 54.97 56.29 2jk9 s GLU 166 Cb -0.48 -2.05 0.33 0.00 -1.78 0.00 0.00 34.13 30.15 2jk9 s GLU 166 CO 0.51 -0.73 1.06 -2.30 -0.49 0.00 0.00 175.26 173.32 2jk9 n PRO 167 N -1.97 -0.06 -0.59 0.39 -0.01 -1.26 -0.17 135.00 131.34 2jk9 n PRO 167 Ca 0.08 1.06 0.08 0.00 -0.01 0.00 0.00 63.50 64.71 2jk9 n PRO 167 Cb 0.53 -1.59 0.31 0.00 -0.01 0.00 0.00 33.50 32.75 2jk9 n PRO 167 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 2jk9 n ASP 168 N -5.09 4.52 -4.55 2.55 9.92 -1.26 -4.95 116.55 117.69 2jk9 n ASP 168 Ca 0.11 -2.76 -0.34 0.00 -0.53 0.00 0.00 54.79 51.27 2jk9 n ASP 168 Cb 0.35 -0.56 -0.11 0.00 -0.64 0.00 0.00 41.12 40.16 2jk9 n ASP 168 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jk9 s GLU 169 N -2.39 3.80 0.05 -1.24 2.12 0.77 -5.09 118.70 116.72 2jk9 s GLU 169 Ca 0.46 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.39 2jk9 s GLU 169 Cb 0.34 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 2jk9 s GLU 169 CO 0.15 0.18 -0.11 0.99 -0.54 0.00 0.00 175.26 175.94 2jk9 s THR 170 N 0.57 0.82 0.18 -1.70 2.01 -1.26 -4.52 115.64 111.74 2jk9 s THR 170 Ca 0.01 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 60.90 2jk9 s THR 170 Cb -0.14 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 2jk9 s THR 170 CO 0.02 -0.28 -0.08 0.72 -0.69 0.00 0.00 174.62 174.31 2jk9 s PHE 171 N -1.27 1.41 -0.19 4.92 -0.12 -1.26 -5.12 117.98 116.36 2jk9 s PHE 171 Ca -0.05 -0.77 -0.23 0.00 -0.05 0.00 0.00 56.93 55.82 2jk9 s PHE 171 Cb -0.10 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 2jk9 s PHE 171 CO 0.01 0.09 0.73 0.42 -0.05 0.00 0.00 175.22 176.43 2jk9 s ILE 172 N -3.29 4.94 0.08 -4.49 -1.09 -1.26 -4.90 121.20 111.19 2jk9 s ILE 172 Ca 0.21 1.42 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 2jk9 s ILE 172 Cb 0.03 -4.04 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2jk9 s ILE 172 CO 0.04 0.06 1.28 -0.69 -1.23 0.00 0.00 174.94 174.40 2jk9 s VAL 173 N 2.07 3.74 1.06 2.92 1.01 -1.26 -4.99 120.40 124.94 2jk9 s VAL 173 Ca 0.33 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 2jk9 s VAL 173 Cb -0.16 -3.80 0.22 0.00 0.00 0.00 0.00 36.38 32.65 2jk9 s VAL 173 CO 0.11 0.09 1.07 -2.16 0.00 0.00 0.00 175.10 174.21 2jk9 s PRO 174 N 1.13 -0.07 0.24 2.72 0.04 -1.26 -4.91 135.00 132.89 2jk9 s PRO 174 Ca 0.61 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2jk9 s PRO 174 Cb -0.32 -1.64 0.43 0.00 0.04 0.00 0.00 34.50 33.01 2jk9 s PRO 174 CO 0.29 -3.19 1.74 -0.44 0.04 0.00 0.00 177.00 175.44 2jk9 h ASP 175 N -2.24 0.29 -3.87 6.66 3.32 -1.95 -3.42 116.42 115.22 2jk9 h ASP 175 Ca -0.55 0.10 -0.68 0.00 0.02 0.00 0.00 57.03 55.92 2jk9 h ASP 175 Cb 1.31 0.07 -0.21 0.00 0.22 0.00 0.00 39.33 40.73 2jk9 h ASP 175 CO 0.50 0.12 -0.80 -0.44 -1.72 0.00 0.00 179.24 176.90 2jk9 s SER 176 N -5.36 3.86 0.22 6.45 0.01 -1.26 -0.60 113.70 117.02 2jk9 s SER 176 Ca -0.12 -0.46 -0.22 0.00 1.31 0.00 0.00 55.95 56.45 2jk9 s SER 176 Cb 0.20 -0.61 0.05 0.00 0.21 0.00 0.00 66.02 65.87 2jk9 s SER 176 CO 0.76 0.23 0.88 0.72 0.41 0.00 0.00 173.24 176.24 2jk9 s PHE 177 N -1.00 -0.09 0.06 2.43 -0.12 -0.81 -4.73 117.98 113.72 2jk9 s PHE 177 Ca 0.16 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 56.77 2jk9 s PHE 177 Cb -0.11 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2jk9 s PHE 177 CO 0.07 -1.06 -0.08 -0.51 -0.05 0.00 0.00 175.22 173.60 2jk9 s LEU 178 N -3.01 3.12 -0.10 -1.99 1.43 0.04 -1.29 118.68 116.88 2jk9 s LEU 178 Ca 0.13 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2jk9 s LEU 178 Cb -0.03 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2jk9 s LEU 178 CO 0.05 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.98 2jk9 s VAL 179 N -1.12 2.54 -0.23 -1.59 1.01 0.88 -0.87 120.40 121.02 2jk9 s VAL 179 Ca 0.20 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2jk9 s VAL 179 Cb -0.11 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2jk9 s VAL 179 CO 0.11 0.55 -0.02 0.00 0.00 0.00 0.00 175.10 175.74 2jk9 s ALA 180 N 0.20 1.68 -0.35 5.51 0.00 -0.05 -1.57 121.76 127.17 2jk9 s ALA 180 Ca -0.11 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 2jk9 s ALA 180 Cb -0.16 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.62 2jk9 s ALA 180 CO 0.06 -1.21 0.13 -1.17 0.00 0.00 0.00 175.76 173.57 2jk9 s LEU 181 N 1.53 4.44 -0.61 0.00 2.96 0.04 -0.70 118.68 126.34 2jk9 s LEU 181 Ca -0.04 -1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 52.60 2jk9 s LEU 181 Cb -0.18 -1.91 0.15 0.00 0.50 0.00 0.00 46.19 44.75 2jk9 s LEU 181 CO -0.07 -0.35 0.55 -0.62 -1.32 0.00 0.00 176.35 174.54 2jk9 s ASP 182 N 1.46 6.27 0.15 3.68 -1.08 -0.02 -0.58 116.67 126.55 2jk9 s ASP 182 Ca -0.01 -2.05 0.21 0.00 -0.52 0.00 0.00 52.55 50.18 2jk9 s ASP 182 Cb -0.20 -2.18 0.86 0.00 -1.46 0.00 0.00 42.92 39.94 2jk9 s ASP 182 CO 0.04 -0.76 1.64 0.23 0.52 0.00 0.00 175.17 176.84 2jk9 n MET 183 N 4.86 0.12 0.01 4.34 2.81 0.51 -0.03 117.12 129.73 2jk9 n MET 183 Ca -0.06 0.33 -0.21 0.00 -1.81 0.00 0.00 57.70 55.95 2jk9 n MET 183 Cb 0.42 -1.72 -0.14 0.00 -0.71 0.00 0.00 33.22 31.07 2jk9 n MET 183 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2jk9 h ASP 184 N 0.00 0.35 1.37 7.83 3.32 -1.89 -3.31 116.42 124.08 2jk9 h ASP 184 Ca 0.00 -0.87 -0.05 0.00 0.02 0.00 0.00 57.03 56.14 2jk9 h ASP 184 Cb 0.36 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2jk9 h ASP 184 CO 0.00 1.50 -0.24 0.44 -1.72 0.00 0.00 179.24 179.23 2jk9 h ASP 185 N -0.43 0.00 -3.21 6.45 3.45 -1.91 -3.48 116.42 117.29 2jk9 h ASP 185 Ca -0.24 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.07 2jk9 h ASP 185 Cb 1.64 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 40.47 2jk9 h ASP 185 CO 0.06 0.24 -0.29 0.61 -1.57 0.00 0.00 179.24 178.28 2jk9 n GLY 186 N 0.70 0.24 3.18 2.75 0.00 0.95 -4.71 105.19 108.29 2jk9 n GLY 186 Ca 0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 2jk9 n GLY 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jk9 s THR 187 N -3.14 1.13 -0.10 2.61 -4.23 -0.05 -1.50 115.64 110.36 2jk9 s THR 187 Ca 0.12 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2jk9 s THR 187 Cb -0.05 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2jk9 s THR 187 CO 0.30 -0.25 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.67 2jk9 s LEU 188 N -1.82 2.09 0.20 4.79 2.96 -0.45 -0.84 118.68 125.62 2jk9 s LEU 188 Ca -0.01 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2jk9 s LEU 188 Cb -0.09 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 2jk9 s LEU 188 CO 0.02 0.15 0.01 -0.44 -1.32 0.00 0.00 176.35 174.78 2jk9 s SER 189 N 0.37 1.39 0.07 3.68 0.01 0.12 0.09 113.70 119.43 2jk9 s SER 189 Ca -0.18 -1.21 0.05 0.00 1.31 0.00 0.00 55.95 55.92 2jk9 s SER 189 Cb -0.18 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2jk9 s SER 189 CO 0.08 -0.57 -0.14 -0.36 0.41 0.00 0.00 173.24 172.66 2jk9 s PHE 190 N -3.60 1.22 -0.17 2.43 0.08 -1.25 -0.88 117.98 115.81 2jk9 s PHE 190 Ca 0.27 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 2jk9 s PHE 190 Cb 0.06 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 2jk9 s PHE 190 CO 0.06 0.06 -0.15 0.42 -0.10 0.00 0.00 175.22 175.51 2jk9 s ILE 191 N -1.24 2.56 -0.08 0.64 1.09 -0.05 -0.82 121.20 123.30 2jk9 s ILE 191 Ca -0.02 -0.79 0.02 0.00 -1.10 0.00 0.00 60.65 58.76 2jk9 s ILE 191 Cb -0.10 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.22 2jk9 s ILE 191 CO 0.02 0.51 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.56 2jk9 s VAL 192 N 1.07 1.17 -1.52 2.92 1.01 -0.28 -0.78 120.40 123.99 2jk9 s VAL 192 Ca -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2jk9 s VAL 192 Cb -0.14 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.23 2jk9 s VAL 192 CO -0.04 0.37 1.00 -0.67 0.00 0.00 0.00 175.10 175.76 2jk9 n ASP 193 N 4.00 -5.03 0.00 3.32 2.03 -1.26 -0.68 116.55 118.93 2jk9 n ASP 193 Ca -0.21 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2jk9 n ASP 193 Cb 0.51 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 2jk9 n ASP 193 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jk9 n GLY 194 N -1.72 0.59 3.62 0.27 0.00 -1.26 -5.00 105.19 101.68 2jk9 n GLY 194 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2jk9 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jk9 s GLN 195 N -0.41 3.16 0.02 1.61 -1.52 0.14 -5.08 119.66 117.57 2jk9 s GLN 195 Ca 0.00 -0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 2jk9 s GLN 195 Cb 0.00 -2.81 -0.06 0.00 -0.22 0.00 0.00 33.01 29.92 2jk9 s GLN 195 CO 0.00 0.57 1.44 -0.47 -0.25 0.00 0.00 175.29 176.57 2jk9 s TYR 196 N -0.51 2.82 -2.48 0.91 5.04 -1.26 -1.13 117.35 120.74 2jk9 s TYR 196 Ca 0.09 0.75 0.26 0.00 -2.44 0.00 0.00 57.07 55.73 2jk9 s TYR 196 Cb -0.12 -3.71 0.94 0.00 0.35 0.00 0.00 41.96 39.42 2jk9 s TYR 196 CO 0.02 -2.65 1.68 -1.33 -1.34 0.00 0.00 175.55 171.92 2jk9 n MET 197 N 5.30 1.72 0.00 4.97 2.81 -0.01 -4.96 117.12 126.96 2jk9 n MET 197 Ca 0.13 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 2jk9 n MET 197 Cb 0.43 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 2jk9 n MET 197 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jk9 n GLY 198 N 1.18 -0.39 3.70 3.03 0.00 -1.26 -4.57 105.19 106.88 2jk9 n GLY 198 Ca 0.18 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2jk9 n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jk9 s VAL 199 N -2.17 3.09 -0.16 1.61 1.01 -1.26 -3.96 120.40 118.56 2jk9 s VAL 199 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 2jk9 s VAL 199 Cb 0.00 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 2jk9 s VAL 199 CO 0.00 0.02 0.17 0.00 0.00 0.00 0.00 175.10 175.29 2jk9 h ALA 200 N 7.66 0.11 -4.22 5.51 0.00 -0.69 -3.48 119.26 124.14 2jk9 h ALA 200 Ca -0.42 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.23 2jk9 h ALA 200 Cb 1.20 0.45 -0.28 0.00 0.00 0.00 0.00 17.79 19.15 2jk9 h ALA 200 CO 0.91 0.43 -0.83 -0.06 0.00 0.00 0.00 179.25 179.70 2jk9 s PHE 201 N -2.19 1.55 0.46 0.00 0.08 -0.90 -4.99 117.98 111.98 2jk9 s PHE 201 Ca -0.19 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.60 2jk9 s PHE 201 Cb 0.02 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2jk9 s PHE 201 CO 0.42 -0.00 0.13 1.03 -0.10 0.00 0.00 175.22 176.70 2jk9 s ARG 202 N -0.58 2.17 0.00 0.44 0.52 -1.26 -1.34 118.95 118.90 2jk9 s ARG 202 Ca 0.06 -2.08 0.00 0.00 -0.52 0.00 0.00 55.73 53.19 2jk9 s ARG 202 Cb -0.07 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.59 2jk9 s ARG 202 CO -0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.47 2jk9 n GLY 203 N -1.28 0.56 0.80 -3.53 0.00 -0.90 -4.94 105.19 95.91 2jk9 n GLY 203 Ca -0.07 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.24 2jk9 n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jk9 n LEU 204 N 0.00 2.66 -4.69 0.99 4.77 -0.56 -4.99 117.00 115.18 2jk9 n LEU 204 Ca 0.00 -0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 54.67 2jk9 n LEU 204 Cb 0.17 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2jk9 n LEU 204 CO 0.00 0.46 0.82 0.29 -1.33 0.00 0.00 177.39 177.63 2jk9 n LYS 205 N 0.89 1.65 -1.26 3.23 5.02 -1.26 -3.03 118.16 123.40 2jk9 n LYS 205 Ca 0.13 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.92 2jk9 n LYS 205 Cb 0.55 -2.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 2jk9 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jk9 n GLY 206 N 0.91 1.06 3.85 0.72 0.00 -1.26 -5.03 105.19 105.44 2jk9 n GLY 206 Ca 0.09 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2jk9 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jk9 s LYS 207 N -2.70 2.33 -0.27 1.61 1.02 -1.17 -5.12 119.74 115.44 2jk9 s LYS 207 Ca 0.00 -1.83 0.02 0.00 0.02 0.00 0.00 55.97 54.18 2jk9 s LYS 207 Cb 0.00 -2.15 0.07 0.00 -0.52 0.00 0.00 37.83 35.23 2jk9 s LYS 207 CO 0.00 -0.36 -0.04 0.21 -0.92 0.00 0.00 175.35 174.24 2jk9 s LYS 208 N -4.14 1.73 -0.09 1.68 2.20 -1.26 -4.32 119.74 115.55 2jk9 s LYS 208 Ca 0.40 -1.28 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2jk9 s LYS 208 Cb -0.01 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.55 2jk9 s LYS 208 CO 0.23 -0.68 -0.20 -0.51 -0.36 0.00 0.00 175.35 173.84 2jk9 s LEU 209 N 1.22 1.93 -0.03 5.43 1.43 -0.54 -4.32 118.68 123.81 2jk9 s LEU 209 Ca -0.03 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2jk9 s LEU 209 Cb -0.19 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2jk9 s LEU 209 CO -0.07 0.11 0.10 -0.31 0.23 0.00 0.00 176.35 176.40 2jk9 s TYR 210 N 0.52 3.35 0.44 0.29 2.02 0.26 0.35 117.35 124.58 2jk9 s TYR 210 Ca -0.16 0.27 -0.25 0.00 -0.37 0.00 0.00 57.07 56.56 2jk9 s TYR 210 Cb -0.17 -1.78 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2jk9 s TYR 210 CO 0.06 0.58 1.26 -2.30 -1.57 0.00 0.00 175.55 173.58 2jk9 n PRO 211 N 1.34 1.83 -3.73 -1.71 -0.02 -1.26 -1.20 135.00 130.26 2jk9 n PRO 211 Ca -0.14 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2jk9 n PRO 211 Cb 0.53 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 2jk9 n PRO 211 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jk9 s VAL 212 N -1.23 0.06 0.01 -1.45 0.11 -0.57 -0.93 120.40 116.40 2jk9 s VAL 212 Ca 0.63 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 59.16 2jk9 s VAL 212 Cb -0.49 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2jk9 s VAL 212 CO 0.56 -0.27 0.05 0.68 -3.33 0.00 0.00 175.10 172.80 2jk9 s VAL 213 N -1.77 0.10 -0.03 2.04 -7.23 -1.22 -1.33 120.40 110.97 2jk9 s VAL 213 Ca -0.10 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 2jk9 s VAL 213 Cb -0.03 -0.35 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 2jk9 s VAL 213 CO 0.02 -0.45 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.22 2jk9 s SER 214 N -1.44 2.51 0.04 4.85 1.04 -0.33 -3.07 113.70 117.31 2jk9 s SER 214 Ca -0.15 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2jk9 s SER 214 Cb -0.09 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2jk9 s SER 214 CO 0.00 0.23 -0.05 0.00 0.98 0.00 0.00 173.24 174.41 2jk9 s ALA 215 N -0.32 0.39 0.00 5.32 0.00 0.33 -1.94 121.76 125.54 2jk9 s ALA 215 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2jk9 s ALA 215 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2jk9 s ALA 215 CO 0.01 -0.16 0.22 1.33 0.00 0.00 0.00 175.76 177.16 2jk9 n VAL 216 N 1.19 0.00 -3.26 0.00 0.24 -1.25 -0.90 118.33 114.36 2jk9 n VAL 216 Ca -0.21 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.38 2jk9 n VAL 216 Cb 0.56 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 34.10 2jk9 n VAL 216 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2jk9 s TRP 217 N -0.22 3.53 0.12 6.34 -0.11 -1.26 -4.94 118.94 122.39 2jk9 s TRP 217 Ca 0.00 0.96 -0.31 0.00 1.22 0.00 0.00 56.10 57.97 2jk9 s TRP 217 Cb 0.00 -2.60 -0.09 0.00 -1.50 0.00 0.00 33.47 29.28 2jk9 s TRP 217 CO 0.00 0.15 1.62 0.20 -4.62 0.00 0.00 176.95 174.31 2jk9 s GLY 218 N 0.65 1.55 -0.69 5.86 0.00 -1.26 -2.26 107.32 111.17 2jk9 s GLY 218 Ca 0.28 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.30 2jk9 s GLY 218 CO 0.12 2.78 0.00 1.42 0.00 0.00 0.00 173.10 177.42 2jk9 n HIS 219 N 4.86 0.00 -1.90 1.90 8.25 0.13 -4.92 115.22 123.54 2jk9 n HIS 219 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 2jk9 n HIS 219 Cb 0.39 -1.82 -0.01 0.00 1.12 0.00 0.00 29.99 29.67 2jk9 n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jk9 s GLU 221 N -1.37 2.57 -0.07 0.00 2.02 -1.26 -1.62 118.70 118.96 2jk9 s GLU 221 Ca 0.55 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.70 2jk9 s GLU 221 Cb -0.45 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.58 2jk9 s GLU 221 CO 0.54 0.43 -0.09 0.42 0.02 0.00 0.00 175.26 176.58 2jk9 s ILE 222 N -0.26 0.93 -0.15 -1.63 1.09 -0.42 -4.48 121.20 116.27 2jk9 s ILE 222 Ca -0.00 -0.31 -0.07 0.00 -1.10 0.00 0.00 60.65 59.16 2jk9 s ILE 222 Cb -0.13 -0.90 -0.04 0.00 -1.06 0.00 0.00 42.46 40.33 2jk9 s ILE 222 CO 0.03 0.32 0.11 -0.60 -0.10 0.00 0.00 174.94 174.70 2jk9 s ARG 223 N 1.06 3.72 -0.17 2.79 3.52 -0.15 -1.84 118.95 127.88 2jk9 s ARG 223 Ca -0.08 -0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2jk9 s ARG 223 Cb -0.14 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 2jk9 s ARG 223 CO -0.01 0.53 -0.18 1.41 -0.81 0.00 0.00 175.30 176.25 2jk9 s MET 224 N -0.34 2.76 -0.31 5.12 -2.45 -0.61 -1.09 119.30 122.38 2jk9 s MET 224 Ca 0.11 -0.77 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 2jk9 s MET 224 Cb -0.12 -2.45 0.06 0.00 1.25 0.00 0.00 34.83 33.57 2jk9 s MET 224 CO 0.01 -0.23 0.01 0.50 1.05 0.00 0.00 175.02 176.36 2jk9 s ARG 225 N 1.34 2.33 0.23 4.11 3.52 0.21 -4.78 118.95 125.91 2jk9 s ARG 225 Ca 0.04 -1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 53.99 2jk9 s ARG 225 Cb -0.13 -3.20 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 2jk9 s ARG 225 CO -0.12 -0.68 1.37 -0.47 -0.81 0.00 0.00 175.30 174.59 2jk9 s TYR 226 N 1.21 3.14 -0.20 5.12 5.04 -1.26 -0.74 117.35 129.66 2jk9 s TYR 226 Ca -0.03 1.15 -0.16 0.00 -2.44 0.00 0.00 57.07 55.58 2jk9 s TYR 226 Cb -0.20 -3.70 -0.07 0.00 0.35 0.00 0.00 41.96 38.33 2jk9 s TYR 226 CO -0.02 -2.22 -0.32 1.28 -1.34 0.00 0.00 175.55 172.93 2jk9 n LEU 227 N 2.38 1.93 -3.65 6.97 4.77 -0.16 -4.66 117.00 124.58 2jk9 n LEU 227 Ca 0.06 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.38 2jk9 n LEU 227 Cb 0.42 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2jk9 n LEU 227 CO 0.59 -0.08 0.88 0.20 -1.33 0.00 0.00 177.39 177.65 2jk9 s ASN 228 N -6.28 -0.15 0.04 -1.43 0.01 -1.14 -1.78 114.94 104.20 2jk9 s ASN 228 Ca -0.30 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 2jk9 s ASN 228 Cb 0.06 0.31 -0.02 0.00 0.41 0.00 0.00 41.25 42.01 2jk9 s ASN 228 CO 0.43 -0.55 -0.06 -0.83 -1.51 0.00 0.00 177.10 174.58 2jk9 s GLY 229 N -2.80 0.41 -0.09 0.66 0.00 -1.26 -1.76 107.32 102.48 2jk9 s GLY 229 Ca 0.12 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.16 2jk9 s GLY 229 CO -0.02 -0.79 -0.24 1.08 0.00 0.00 0.00 173.10 173.13 2jk9 s LEU 230 N -1.61 2.08 0.00 0.66 1.43 0.05 -4.98 118.68 116.32 2jk9 s LEU 230 Ca -0.11 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2jk9 s LEU 230 Cb -0.09 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2jk9 s LEU 230 CO -0.01 0.18 0.00 0.47 0.23 0.00 0.00 176.35 177.22