#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j24 s LYS 3 N 0.00 4.48 0.94 -1.46 1.02 -1.26 -5.02 119.74 118.44 2j24 s LYS 3 Ca 0.00 1.65 -0.16 0.00 0.02 0.00 0.00 55.97 57.49 2j24 s LYS 3 Cb 0.00 -2.95 0.23 0.00 -0.52 0.00 0.00 37.83 34.60 2j24 s LYS 3 CO 0.00 0.11 0.84 -0.35 -0.92 0.00 0.00 175.35 175.03 2j24 n PRO 4 N 0.73 -2.66 -1.89 -1.68 -0.04 -1.26 -4.92 135.00 123.28 2j24 n PRO 4 Ca 0.01 -1.34 -0.42 0.00 -0.04 0.00 0.00 63.50 61.71 2j24 n PRO 4 Cb 0.47 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2j24 n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2j24 s GLN 5 N -4.90 4.19 0.78 0.54 0.74 -1.26 -4.97 119.66 114.78 2j24 s GLN 5 Ca 0.54 2.40 -0.11 0.00 0.05 0.00 0.00 55.36 58.25 2j24 s GLN 5 Cb -0.05 -3.31 0.06 0.00 1.10 0.00 0.00 33.01 30.80 2j24 s GLN 5 CO 0.42 -0.68 1.08 -1.25 -0.55 0.00 0.00 175.29 174.31 2j24 s PRO 6 N 1.73 2.25 -0.08 1.67 0.04 -1.26 -4.88 135.00 134.47 2j24 s PRO 6 Ca 0.73 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.72 2j24 s PRO 6 Cb -0.44 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2j24 s PRO 6 CO 0.32 -1.58 -0.12 0.42 0.04 0.00 0.00 177.00 176.09 2j24 s ILE 7 N -3.00 1.16 -0.39 0.56 1.01 -0.41 -2.02 121.20 118.11 2j24 s ILE 7 Ca 0.60 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2j24 s ILE 7 Cb -0.16 -1.09 0.08 0.00 0.01 0.00 0.00 42.46 41.30 2j24 s ILE 7 CO 0.56 0.37 0.20 0.00 0.00 0.00 0.00 174.94 176.06 2j24 s ALA 8 N 0.96 3.18 -0.10 9.38 0.00 -0.11 -1.24 121.76 133.82 2j24 s ALA 8 Ca -0.09 -2.13 0.01 0.00 0.00 0.00 0.00 51.96 49.75 2j24 s ALA 8 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2j24 s ALA 8 CO 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 175.76 174.03 2j24 s ALA 9 N 1.34 2.64 -0.40 0.00 0.00 -0.51 -1.43 121.76 123.40 2j24 s ALA 9 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 2j24 s ALA 9 Cb -0.22 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.78 2j24 s ALA 9 CO 0.00 0.35 0.29 0.00 0.00 0.00 0.00 175.76 176.40 2j24 s ALA 10 N -0.00 3.48 -0.58 0.00 0.00 0.63 -1.09 121.76 124.18 2j24 s ALA 10 Ca -0.04 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.07 2j24 s ALA 10 Cb -0.14 -2.84 0.10 0.00 0.00 0.00 0.00 23.12 20.24 2j24 s ALA 10 CO 0.04 -1.37 0.70 1.21 0.00 0.00 0.00 175.76 176.34 2j24 s ASN 11 N 1.68 6.19 0.02 0.00 2.47 -0.18 -0.69 114.94 124.43 2j24 s ASN 11 Ca 0.05 -1.38 0.22 0.00 0.42 0.00 0.00 52.86 52.17 2j24 s ASN 11 Cb -0.19 -2.30 0.94 0.00 -1.45 0.00 0.00 41.25 38.25 2j24 s ASN 11 CO 0.10 -1.10 1.71 0.79 -3.72 0.00 0.00 177.10 174.88 2j24 n TRP 12 N 6.33 0.07 -3.09 0.43 8.01 -0.04 -4.46 117.44 124.68 2j24 n TRP 12 Ca -0.09 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2j24 n TRP 12 Cb 0.43 -0.54 0.00 0.00 -2.01 0.00 0.00 31.31 29.19 2j24 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2j24 n LYS 13 N -1.56 0.00 -2.89 -0.99 5.02 -1.26 -3.24 118.16 113.23 2j24 n LYS 13 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 2j24 n LYS 13 Cb 0.26 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.28 2j24 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j24 s ASN 15 N -1.70 0.16 0.00 0.00 0.01 -1.20 -5.13 114.94 107.08 2j24 s ASN 15 Ca 0.34 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 2j24 s ASN 15 Cb 0.10 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.94 2j24 s ASN 15 CO 0.03 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 2j24 n GLY 16 N 1.17 4.02 3.76 0.66 0.00 -1.26 -4.71 105.19 108.83 2j24 n GLY 16 Ca -0.21 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 2j24 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j24 s SER 17 N 0.00 4.54 0.20 1.61 1.04 -1.26 -4.97 113.70 114.86 2j24 s SER 17 Ca 0.00 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.35 2j24 s SER 17 Cb 0.00 -0.51 0.13 0.00 0.10 0.00 0.00 66.02 65.74 2j24 s SER 17 CO 0.00 -0.55 1.66 1.56 0.98 0.00 0.00 173.24 176.89 2j24 h GLN 18 N 1.36 1.00 -0.08 4.02 4.20 -2.00 0.11 115.11 123.73 2j24 h GLN 18 Ca -0.43 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 57.89 2j24 h GLN 18 Cb 1.25 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2j24 h GLN 18 CO 0.67 1.00 -0.25 0.37 -0.67 0.00 0.00 178.83 179.95 2j24 h GLN 19 N 0.91 0.30 0.21 1.46 5.75 -1.99 -1.83 115.11 119.92 2j24 h GLN 19 Ca 0.16 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2j24 h GLN 19 Cb 0.57 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.16 2j24 h GLN 19 CO 0.03 0.85 -0.10 0.66 -2.65 0.00 0.00 178.83 177.62 2j24 h SER 20 N -0.19 -0.24 -0.12 -0.69 4.64 -1.93 -2.38 113.55 112.65 2j24 h SER 20 Ca -0.01 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2j24 h SER 20 Cb 0.88 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2j24 h SER 20 CO 0.05 -0.08 0.04 -0.07 -0.87 0.00 0.00 176.83 175.90 2j24 h LEU 21 N -0.38 0.23 -0.42 5.97 3.38 -0.86 -2.07 115.31 121.18 2j24 h LEU 21 Ca -0.03 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2j24 h LEU 21 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2j24 h LEU 21 CO 0.05 0.25 -0.20 0.77 0.09 0.00 0.00 178.44 179.40 2j24 h SER 22 N 0.26 0.90 -0.24 -0.43 4.64 -1.00 -0.23 113.55 117.45 2j24 h SER 22 Ca 0.07 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2j24 h SER 22 Cb 0.12 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2j24 h SER 22 CO -0.00 1.10 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.70 2j24 h GLU 23 N 0.69 0.57 -0.07 4.77 5.08 -1.07 -2.24 114.58 122.31 2j24 h GLU 23 Ca 0.09 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2j24 h GLU 23 Cb 0.76 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2j24 h GLU 23 CO 0.06 0.62 -0.65 1.25 -1.00 0.00 0.00 179.01 179.29 2j24 h LEU 24 N 0.54 0.69 -0.59 1.33 5.85 -0.94 -2.44 115.31 119.74 2j24 h LEU 24 Ca 0.11 -0.68 0.07 0.00 0.84 0.00 0.00 57.88 58.21 2j24 h LEU 24 Cb 0.40 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2j24 h LEU 24 CO 0.02 1.27 0.29 0.40 -0.34 0.00 0.00 178.44 180.07 2j24 h ILE 25 N 0.16 0.90 0.00 4.05 2.04 -1.02 -1.14 117.51 122.50 2j24 h ILE 25 Ca -0.06 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 2j24 h ILE 25 Cb 1.31 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2j24 h ILE 25 CO 0.13 0.10 -0.50 0.44 0.00 0.00 0.00 178.15 178.31 2j24 h ASP 26 N 0.53 0.00 -0.20 1.72 3.32 -1.25 0.93 116.42 121.47 2j24 h ASP 26 Ca 0.28 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2j24 h ASP 26 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2j24 h ASP 26 CO -0.21 0.50 0.10 0.25 -1.72 0.00 0.00 179.24 178.16 2j24 h LEU 27 N 0.00 0.15 -0.84 1.55 6.46 -1.25 -0.36 115.31 121.02 2j24 h LEU 27 Ca -0.01 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2j24 h LEU 27 Cb 0.92 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 2j24 h LEU 27 CO 0.07 0.12 0.54 -0.26 -0.62 0.00 0.00 178.44 178.28 2j24 h PHE 28 N 0.21 1.08 -0.37 1.25 0.04 -0.49 -0.68 116.94 117.98 2j24 h PHE 28 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2j24 h PHE 28 Cb 0.01 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.78 2j24 h PHE 28 CO -0.09 0.70 0.09 -0.91 -0.60 0.00 0.00 178.31 177.49 2j24 h ASN 29 N 1.14 0.49 1.02 2.17 2.35 -0.67 -2.48 115.58 119.60 2j24 h ASN 29 Ca 0.30 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 2j24 h ASN 29 Cb -0.10 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2j24 h ASN 29 CO -0.06 0.50 -0.22 0.77 -1.65 0.00 0.00 177.43 176.77 2j24 h SER 30 N 0.53 0.00 -4.03 5.81 4.64 0.48 -3.46 113.55 117.52 2j24 h SER 30 Ca 0.12 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.90 2j24 h SER 30 Cb 0.21 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.42 2j24 h SER 30 CO -0.00 0.22 0.61 0.42 -0.87 0.00 0.00 176.83 177.21 2j24 s THR 31 N -3.58 2.19 -0.32 2.95 -4.23 -0.92 -5.00 115.64 106.73 2j24 s THR 31 Ca 0.01 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 2j24 s THR 31 Cb 0.10 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.88 2j24 s THR 31 CO 0.64 0.00 0.10 -0.44 -0.54 0.00 0.00 174.62 174.39 2j24 s SER 32 N -0.90 5.27 -0.28 3.99 0.01 -1.26 -5.07 113.70 115.46 2j24 s SER 32 Ca 0.68 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 2j24 s SER 32 Cb -0.40 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 63.97 2j24 s SER 32 CO 0.48 -0.27 -0.00 -0.63 0.41 0.00 0.00 173.24 173.23 2j24 s ILE 33 N 1.47 3.18 -1.08 1.44 1.01 -1.26 -4.97 121.20 120.98 2j24 s ILE 33 Ca 0.01 -1.09 0.23 0.00 0.00 0.00 0.00 60.65 59.79 2j24 s ILE 33 Cb -0.18 -2.71 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 2j24 s ILE 33 CO 0.03 0.04 1.15 0.59 0.00 0.00 0.00 174.94 176.76 2j24 n ASN 34 N 4.70 0.84 -4.68 3.58 3.02 -1.26 -4.93 115.26 116.53 2j24 n ASN 34 Ca -0.15 -0.71 -0.24 0.00 -0.03 0.00 0.00 54.58 53.45 2j24 n ASN 34 Cb 0.46 0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 40.18 2j24 n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2j24 s HIS 35 N -2.95 2.61 -0.36 3.10 -3.43 -1.26 -5.08 115.29 107.91 2j24 s HIS 35 Ca 0.10 -0.46 -0.26 0.00 -0.80 0.00 0.00 55.06 53.65 2j24 s HIS 35 Cb 0.17 -1.65 0.01 0.00 -1.43 0.00 0.00 32.58 29.68 2j24 s HIS 35 CO 0.77 0.37 0.91 0.34 -2.00 0.00 0.00 174.74 175.13 2j24 s ASP 36 N -3.80 6.69 -0.20 7.38 2.15 -1.26 -4.98 116.67 122.65 2j24 s ASP 36 Ca 0.37 0.61 -0.16 0.00 0.43 0.00 0.00 52.55 53.80 2j24 s ASP 36 Cb 0.00 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.22 2j24 s ASP 36 CO 0.21 -0.82 0.52 0.54 -0.17 0.00 0.00 175.17 175.45 2j24 s VAL 37 N 3.40 -0.00 -0.36 1.11 0.11 -1.26 -4.22 120.40 119.16 2j24 s VAL 37 Ca 0.37 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.22 2j24 s VAL 37 Cb -0.12 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2j24 s VAL 37 CO 0.18 0.01 0.72 -1.58 -3.33 0.00 0.00 175.10 171.09 2j24 s GLN 38 N 0.62 3.70 -0.03 1.54 2.00 -0.86 -4.82 119.66 121.82 2j24 s GLN 38 Ca -0.03 0.18 -0.16 0.00 -2.00 0.00 0.00 55.36 53.35 2j24 s GLN 38 Cb -0.05 -3.82 -0.05 0.00 0.80 0.00 0.00 33.01 29.89 2j24 s GLN 38 CO -0.04 -0.81 0.43 0.00 -0.50 0.00 0.00 175.29 174.37 2j24 s VAL 40 N -0.58 1.27 -0.26 0.00 1.01 -0.51 -0.65 120.40 120.67 2j24 s VAL 40 Ca 0.24 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2j24 s VAL 40 Cb -0.16 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2j24 s VAL 40 CO 0.13 0.38 -0.03 -0.69 0.00 0.00 0.00 175.10 174.89 2j24 s VAL 41 N 0.28 3.11 -0.52 2.92 1.01 -0.14 -0.27 120.40 126.79 2j24 s VAL 41 Ca -0.08 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 2j24 s VAL 41 Cb -0.13 -2.60 0.13 0.00 0.00 0.00 0.00 36.38 33.78 2j24 s VAL 41 CO 0.03 0.15 0.45 0.00 0.00 0.00 0.00 175.10 175.72 2j24 s ALA 42 N 1.35 3.56 0.45 5.51 0.00 0.13 -0.19 121.76 132.58 2j24 s ALA 42 Ca 0.00 -2.58 0.08 0.00 0.00 0.00 0.00 51.96 49.46 2j24 s ALA 42 Cb -0.17 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.88 2j24 s ALA 42 CO -0.03 -1.99 0.56 -1.54 0.00 0.00 0.00 175.76 172.77 2j24 s SER 43 N 3.11 5.37 0.76 0.00 1.04 -1.18 -0.86 113.70 121.93 2j24 s SER 43 Ca 0.05 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.73 2j24 s SER 43 Cb -0.27 -0.41 0.05 0.00 0.10 0.00 0.00 66.02 65.49 2j24 s SER 43 CO 0.01 -0.86 1.20 0.42 0.98 0.00 0.00 173.24 174.99 2j24 s THR 44 N -2.46 2.29 0.28 2.02 -4.23 -1.26 -4.13 115.64 108.14 2j24 s THR 44 Ca 0.54 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 2j24 s THR 44 Cb -0.07 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.39 2j24 s THR 44 CO 0.32 -0.08 1.75 -0.26 -0.54 0.00 0.00 174.62 175.81 2j24 h PHE 45 N -0.52 0.80 -0.44 3.99 0.04 -1.95 -1.06 116.94 117.80 2j24 h PHE 45 Ca -0.47 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2j24 h PHE 45 Cb 1.29 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 2j24 h PHE 45 CO 0.48 0.15 0.29 0.28 -0.60 0.00 0.00 178.31 178.91 2j24 h VAL 46 N 0.61 1.02 -0.02 -0.55 2.07 -2.03 -2.88 116.25 114.47 2j24 h VAL 46 Ca 0.50 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2j24 h VAL 46 Cb 0.78 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2j24 h VAL 46 CO -0.40 0.08 -0.13 1.41 0.02 0.00 0.00 177.57 178.55 2j24 n HIS 47 N -4.48 0.00 -0.33 1.57 8.25 -0.43 -4.34 115.22 115.46 2j24 n HIS 47 Ca 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 2j24 n HIS 47 Cb 0.17 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.36 2j24 n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2j24 h LEU 48 N 3.39 1.10 0.12 2.41 3.38 -1.25 -0.75 115.31 123.71 2j24 h LEU 48 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2j24 h LEU 48 Cb 0.80 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2j24 h LEU 48 CO 0.00 0.88 -0.06 0.00 0.09 0.00 0.00 178.44 179.35 2j24 h ALA 49 N 1.26 -0.17 -0.63 1.53 0.00 -1.79 -0.86 119.26 118.61 2j24 h ALA 49 Ca 0.31 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2j24 h ALA 49 Cb 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2j24 h ALA 49 CO -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 179.25 178.71 2j24 h MET 50 N -0.27 1.09 0.26 0.00 -0.00 -1.81 -0.18 114.93 114.01 2j24 h MET 50 Ca -0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 59.70 59.35 2j24 h MET 50 Cb 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 2j24 h MET 50 CO 0.03 1.03 -0.12 1.15 -0.00 0.00 0.00 176.91 178.99 2j24 h THR 51 N 1.00 0.78 -0.76 -0.10 2.02 -0.97 1.08 112.91 115.95 2j24 h THR 51 Ca 0.19 -0.23 0.16 0.00 0.77 0.00 0.00 66.41 67.30 2j24 h THR 51 Cb 0.51 0.91 -0.14 0.00 -1.74 0.00 0.00 68.15 67.69 2j24 h THR 51 CO 0.02 0.05 -0.11 0.50 0.37 0.00 0.00 175.52 176.35 2j24 h LYS 52 N -0.46 0.03 0.02 6.66 3.64 -1.10 0.14 116.57 125.51 2j24 h LYS 52 Ca -0.04 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.08 2j24 h LYS 52 Cb 0.35 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2j24 h LYS 52 CO 0.06 0.02 -1.05 0.93 -2.27 0.00 0.00 179.45 177.14 2j24 h GLU 53 N 0.04 0.60 0.00 1.90 5.08 0.07 -3.37 114.58 118.90 2j24 h GLU 53 Ca 0.39 -0.67 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 2j24 h GLU 53 Cb 0.64 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2j24 h GLU 53 CO -0.74 1.27 -1.66 0.54 -1.00 0.00 0.00 179.01 177.42 2j24 n ARG 54 N -3.80 0.64 -2.77 2.33 1.74 0.36 -4.80 116.66 110.36 2j24 n ARG 54 Ca -0.10 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 2j24 n ARG 54 Cb 0.89 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2j24 n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2j24 s LEU 55 N -5.29 4.05 -0.05 0.55 2.96 0.48 -4.83 118.68 116.55 2j24 s LEU 55 Ca -0.05 1.09 0.07 0.00 -0.22 0.00 0.00 54.13 55.02 2j24 s LEU 55 Cb 0.10 -3.36 0.11 0.00 0.50 0.00 0.00 46.19 43.54 2j24 s LEU 55 CO 0.84 -0.66 1.03 -1.54 -1.32 0.00 0.00 176.35 174.69 2j24 n SER 56 N 6.34 1.92 -4.71 3.68 3.41 -1.26 -4.84 113.62 118.15 2j24 n SER 56 Ca 0.09 -2.36 -0.40 0.00 -0.26 0.00 0.00 58.87 55.94 2j24 n SER 56 Cb 0.47 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 2j24 n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2j24 s HIS 57 N -1.61 3.60 0.56 7.33 5.04 -1.26 -4.97 115.29 123.98 2j24 s HIS 57 Ca 0.12 1.37 0.31 0.00 -1.54 0.00 0.00 55.06 55.32 2j24 s HIS 57 Cb 0.11 -2.89 1.46 0.00 0.04 0.00 0.00 32.58 31.30 2j24 s HIS 57 CO 0.01 0.06 1.86 -1.00 -2.34 0.00 0.00 174.74 173.34 2j24 h PRO 58 N 6.76 0.00 -0.60 2.88 0.13 -1.97 -2.02 132.00 137.18 2j24 h PRO 58 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2j24 h PRO 58 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2j24 h PRO 58 CO 0.75 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 2j24 n LYS 59 N -4.00 2.44 -4.37 0.86 5.02 -1.26 -4.93 118.16 111.92 2j24 n LYS 59 Ca 0.15 -2.17 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 2j24 n LYS 59 Cb 0.89 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.32 2j24 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2j24 s PHE 60 N -1.24 2.95 0.09 2.13 0.40 -0.76 -0.23 117.98 121.32 2j24 s PHE 60 Ca 0.40 -0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.77 2j24 s PHE 60 Cb 0.21 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2j24 s PHE 60 CO 0.27 0.41 -0.10 0.14 0.70 0.00 0.00 175.22 176.64 2j24 s VAL 61 N -1.05 0.93 0.22 -0.44 -7.23 0.18 -4.89 120.40 108.12 2j24 s VAL 61 Ca 0.18 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2j24 s VAL 61 Cb -0.11 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 2j24 s VAL 61 CO 0.09 -0.55 0.50 -0.51 -0.31 0.00 0.00 175.10 174.32 2j24 s ILE 62 N -2.39 5.03 0.04 -0.62 2.07 -1.26 -0.97 121.20 123.11 2j24 s ILE 62 Ca 0.05 0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.52 2j24 s ILE 62 Cb -0.03 -3.65 -0.03 0.00 0.13 0.00 0.00 42.46 38.88 2j24 s ILE 62 CO 0.00 -0.11 -0.06 0.00 -1.91 0.00 0.00 174.94 172.85 2j24 s ALA 63 N -1.85 0.50 0.51 1.50 0.00 0.73 -3.60 121.76 119.56 2j24 s ALA 63 Ca 0.44 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2j24 s ALA 63 Cb -0.11 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2j24 s ALA 63 CO 0.25 -0.08 0.80 0.00 0.00 0.00 0.00 175.76 176.73 2j24 s ALA 64 N -1.66 3.45 -2.84 0.00 0.00 -0.78 -3.12 121.76 116.80 2j24 s ALA 64 Ca -0.09 -0.72 0.23 0.00 0.00 0.00 0.00 51.96 51.38 2j24 s ALA 64 Cb -0.08 -2.48 0.18 0.00 0.00 0.00 0.00 23.12 20.74 2j24 s ALA 64 CO -0.01 -0.52 1.22 1.04 0.00 0.00 0.00 175.76 177.49 2j24 n GLN 65 N -2.33 2.16 0.00 0.00 6.02 -1.26 -0.86 117.38 121.12 2j24 n GLN 65 Ca 0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 2j24 n GLN 65 Cb 0.57 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.39 2j24 n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2j24 n ASN 66 N 1.28 0.00 -3.59 1.08 5.15 -1.21 -4.69 115.26 113.27 2j24 n ASN 66 Ca 0.13 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.03 2j24 n ASN 66 Cb 0.57 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 2j24 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2j24 s ALA 67 N -2.00 -1.63 0.32 5.20 0.00 -1.26 -4.94 121.76 117.44 2j24 s ALA 67 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.50 2j24 s ALA 67 Cb 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2j24 s ALA 67 CO 0.00 -0.85 0.26 0.96 0.00 0.00 0.00 175.76 176.13 2j24 s ILE 68 N -3.44 3.69 0.09 0.00 -4.36 0.08 -4.94 121.20 112.32 2j24 s ILE 68 Ca 0.07 -1.41 -0.24 0.00 -0.26 0.00 0.00 60.65 58.80 2j24 s ILE 68 Cb -0.02 -3.21 -0.14 0.00 1.25 0.00 0.00 42.46 40.34 2j24 s ILE 68 CO -0.05 -0.22 1.71 0.00 0.24 0.00 0.00 174.94 176.63 2j24 h ALA 69 N 1.33 -0.14 -2.47 2.27 0.00 -1.93 -1.30 119.26 117.02 2j24 h ALA 69 Ca -0.45 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 53.96 2j24 h ALA 69 Cb 1.25 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 2j24 h ALA 69 CO 0.59 -0.59 -0.75 0.15 0.00 0.00 0.00 179.25 178.65 2j24 s LYS 70 N -6.17 1.31 0.75 0.00 1.02 -1.26 -3.92 119.74 111.47 2j24 s LYS 70 Ca -0.14 -1.52 -0.11 0.00 0.02 0.00 0.00 55.97 54.22 2j24 s LYS 70 Cb 0.06 -1.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.21 2j24 s LYS 70 CO 0.66 0.22 1.08 -1.12 -0.92 0.00 0.00 175.35 175.26 2j24 s SER 71 N -3.07 4.85 0.00 2.83 0.01 -1.26 -4.70 113.70 112.35 2j24 s SER 71 Ca 0.20 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2j24 s SER 71 Cb -0.03 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2j24 s SER 71 CO 0.07 -1.79 0.00 0.61 0.41 0.00 0.00 173.24 172.54 2j24 n GLY 72 N -1.71 0.53 2.94 3.44 0.00 -1.26 -4.99 105.19 104.14 2j24 n GLY 72 Ca 0.08 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2j24 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j24 n ALA 73 N -0.82 5.11 -3.22 4.61 0.00 -1.26 -4.67 120.51 120.25 2j24 n ALA 73 Ca 0.00 -4.09 -0.24 0.00 0.00 0.00 0.00 53.44 49.11 2j24 n ALA 73 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 19.45 16.12 2j24 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2j24 n PHE 74 N 5.35 0.44 -1.67 0.00 3.72 -1.26 -5.10 117.46 118.94 2j24 n PHE 74 Ca 0.45 -3.69 -0.47 0.00 -0.05 0.00 0.00 57.45 53.68 2j24 n PHE 74 Cb 0.39 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 2j24 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2j24 n THR 75 N 1.17 0.23 0.00 4.37 -1.04 -1.26 -1.52 114.28 116.23 2j24 n THR 75 Ca 0.23 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2j24 n THR 75 Cb 0.52 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 2j24 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j24 n GLY 76 N 3.77 3.37 3.92 3.41 0.00 -1.26 -5.05 105.19 113.35 2j24 n GLY 76 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 2j24 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j24 s GLU 77 N -0.75 3.53 -0.09 1.61 0.41 -0.57 -5.10 118.70 117.73 2j24 s GLU 77 Ca 0.00 -0.08 0.03 0.00 -0.41 0.00 0.00 54.97 54.51 2j24 s GLU 77 Cb 0.00 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.79 2j24 s GLU 77 CO 0.00 0.02 -0.18 0.08 -0.49 0.00 0.00 175.26 174.69 2j24 s VAL 78 N -2.46 2.65 0.37 2.63 1.01 -1.26 -4.98 120.40 118.36 2j24 s VAL 78 Ca 0.43 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2j24 s VAL 78 Cb -0.10 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2j24 s VAL 78 CO 0.39 0.55 0.53 -0.94 0.00 0.00 0.00 175.10 175.63 2j24 s SER 79 N 0.04 5.93 0.10 3.32 1.04 -1.26 -0.74 113.70 122.12 2j24 s SER 79 Ca -0.07 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.14 2j24 s SER 79 Cb -0.15 -1.34 -0.08 0.00 0.10 0.00 0.00 66.02 64.55 2j24 s SER 79 CO 0.05 -0.51 1.65 -0.07 0.98 0.00 0.00 173.24 175.34 2j24 h LEU 80 N 0.74 0.28 -1.08 2.42 3.38 -1.35 -2.30 115.31 117.39 2j24 h LEU 80 Ca -0.46 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 57.52 2j24 h LEU 80 Cb 1.25 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2j24 h LEU 80 CO 0.54 0.35 0.62 -0.65 0.09 0.00 0.00 178.44 179.39 2j24 h PRO 81 N 0.19 0.79 0.11 1.13 0.11 -1.87 0.71 132.00 133.18 2j24 h PRO 81 Ca 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2j24 h PRO 81 Cb 0.15 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2j24 h PRO 81 CO -0.01 0.53 -0.05 0.82 -0.21 0.00 0.00 178.00 179.08 2j24 h ILE 82 N 0.82 0.94 -0.62 4.15 2.04 -1.91 -0.65 117.51 122.28 2j24 h ILE 82 Ca 0.52 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 66.24 2j24 h ILE 82 Cb 0.74 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2j24 h ILE 82 CO -0.30 0.05 0.35 -0.07 0.00 0.00 0.00 178.15 178.18 2j24 h LEU 83 N -0.23 0.54 0.13 1.44 3.38 -0.89 0.00 115.31 119.68 2j24 h LEU 83 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2j24 h LEU 83 Cb 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2j24 h LEU 83 CO 0.02 0.36 -0.15 0.50 0.09 0.00 0.00 178.44 179.26 2j24 h LYS 84 N 0.67 -0.31 -0.43 1.13 3.64 -0.59 -0.14 116.57 120.54 2j24 h LYS 84 Ca 0.27 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 2j24 h LYS 84 Cb 0.12 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2j24 h LYS 84 CO -0.15 -0.21 0.31 0.22 -2.27 0.00 0.00 179.45 177.35 2j24 h ASP 85 N -0.33 0.05 0.53 4.20 3.58 -0.66 -1.21 116.42 122.59 2j24 h ASP 85 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2j24 h ASP 85 Cb 0.32 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2j24 h ASP 85 CO -0.06 0.03 -0.02 0.33 -2.88 0.00 0.00 179.24 176.64 2j24 n PHE 86 N -4.43 0.00 -0.66 0.28 7.35 -0.05 -4.91 117.46 115.04 2j24 n PHE 86 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2j24 n PHE 86 Cb 0.47 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.03 2j24 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2j24 n GLY 87 N 1.29 0.70 3.48 7.13 0.00 -0.45 -5.04 105.19 112.29 2j24 n GLY 87 Ca 0.14 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2j24 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j24 s VAL 88 N -2.00 4.78 0.00 1.61 1.01 -0.52 -4.92 120.40 120.36 2j24 s VAL 88 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2j24 s VAL 88 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2j24 s VAL 88 CO 0.00 0.12 0.58 -3.20 0.00 0.00 0.00 175.10 172.60 2j24 n ASN 89 N 5.01 1.15 -4.34 3.32 5.15 -1.26 -3.73 115.26 120.55 2j24 n ASN 89 Ca -0.14 -1.17 -0.27 0.00 -0.60 0.00 0.00 54.58 52.40 2j24 n ASN 89 Cb 0.50 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.62 2j24 n ASN 89 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2j24 s TRP 90 N -0.17 2.10 -0.19 1.20 0.52 -1.24 -0.46 118.94 120.70 2j24 s TRP 90 Ca 0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.56 2j24 s TRP 90 Cb 0.00 -1.15 0.05 0.00 -1.15 0.00 0.00 33.47 31.22 2j24 s TRP 90 CO 0.00 0.26 0.49 -1.50 0.02 0.00 0.00 176.95 176.23 2j24 s ILE 91 N -1.07 -0.00 -0.19 2.03 2.07 -0.69 -1.87 121.20 121.48 2j24 s ILE 91 Ca 0.11 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.20 2j24 s ILE 91 Cb -0.10 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 2j24 s ILE 91 CO 0.05 0.00 0.40 -0.69 -1.91 0.00 0.00 174.94 172.79 2j24 s VAL 92 N 0.45 5.21 -0.02 4.00 1.01 -0.04 0.03 120.40 131.04 2j24 s VAL 92 Ca -0.02 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.73 2j24 s VAL 92 Cb -0.04 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2j24 s VAL 92 CO -0.02 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 2j24 s LEU 93 N 1.18 1.98 -0.08 3.92 1.43 0.64 -3.35 118.68 124.40 2j24 s LEU 93 Ca 0.19 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2j24 s LEU 93 Cb -0.15 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.23 2j24 s LEU 93 CO 0.08 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2j24 n GLY 94 N 2.84 0.40 3.62 -3.19 0.00 -1.26 -1.18 105.19 106.43 2j24 n GLY 94 Ca -0.16 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2j24 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2j24 n HIS 95 N -3.41 1.48 -0.31 1.61 -0.00 -1.26 -4.46 115.22 108.86 2j24 n HIS 95 Ca -0.01 0.61 0.19 0.00 0.46 0.00 0.00 57.72 58.98 2j24 n HIS 95 Cb 0.23 -2.28 0.37 0.00 -0.12 0.00 0.00 29.99 28.19 2j24 n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2j24 n SER 96 N 0.86 0.04 -0.02 0.26 3.41 -1.26 -0.81 113.62 116.09 2j24 n SER 96 Ca 0.08 1.57 -0.02 0.00 -0.26 0.00 0.00 58.87 60.24 2j24 n SER 96 Cb 0.36 -0.64 0.22 0.00 -0.26 0.00 0.00 64.21 63.89 2j24 n SER 96 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2j24 h GLU 97 N 0.00 0.58 0.01 4.33 5.08 -1.98 -0.14 114.58 122.45 2j24 h GLU 97 Ca 0.64 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.63 2j24 h GLU 97 Cb 1.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2j24 h GLU 97 CO -0.82 0.67 -0.90 0.00 -1.00 0.00 0.00 179.01 176.96 2j24 h ARG 98 N 0.54 0.19 -0.49 2.33 3.08 -1.31 0.30 114.38 119.02 2j24 h ARG 98 Ca 0.10 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 2j24 h ARG 98 Cb 0.49 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2j24 h ARG 98 CO 0.03 0.97 -0.03 0.00 -1.07 0.00 0.00 179.97 179.87 2j24 h ARG 99 N 0.10 0.84 0.08 0.04 3.08 -1.05 -0.94 114.38 116.53 2j24 h ARG 99 Ca -0.05 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 2j24 h ARG 99 Cb 1.54 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.51 2j24 h ARG 99 CO 0.14 0.86 -0.46 0.00 -1.07 0.00 0.00 179.97 179.44 2j24 h ALA 100 N 1.19 -0.05 0.00 0.04 0.00 -0.85 -3.38 119.26 116.21 2j24 h ALA 100 Ca 0.14 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 2j24 h ALA 100 Cb 0.51 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2j24 h ALA 100 CO 0.03 0.21 -2.21 0.66 0.00 0.00 0.00 179.25 177.94 2j24 n TYR 101 N -4.34 0.08 -1.59 0.00 4.01 0.10 -4.69 117.16 110.74 2j24 n TYR 101 Ca -0.12 0.03 0.06 0.00 -0.16 0.00 0.00 57.90 57.71 2j24 n TYR 101 Cb 0.67 -0.88 0.14 0.00 -0.31 0.00 0.00 39.34 38.96 2j24 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2j24 n TYR 102 N -2.64 0.00 -1.00 -0.72 4.01 -0.38 -4.99 117.16 111.45 2j24 n TYR 102 Ca -0.24 -1.06 -0.00 0.00 -0.16 0.00 0.00 57.90 56.44 2j24 n TYR 102 Cb 0.98 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2j24 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2j24 n GLY 103 N -0.90 0.47 3.53 2.72 0.00 -1.11 -4.91 105.19 104.99 2j24 n GLY 103 Ca 0.14 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2j24 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j24 s GLU 104 N -0.44 3.28 1.06 1.61 2.02 -1.09 -4.92 118.70 120.22 2j24 s GLU 104 Ca 0.00 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 2j24 s GLU 104 Cb 0.00 -4.47 0.23 0.00 0.10 0.00 0.00 34.13 29.99 2j24 s GLU 104 CO 0.00 -2.07 1.17 0.95 0.02 0.00 0.00 175.26 175.33 2j24 s THR 105 N 5.08 1.82 0.18 3.63 -4.23 -1.26 -4.27 115.64 116.58 2j24 s THR 105 Ca 0.34 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.72 2j24 s THR 105 Cb -0.08 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.16 2j24 s THR 105 CO 0.08 0.00 1.83 0.78 -0.54 0.00 0.00 174.62 176.77 2j24 h ASN 106 N -2.06 0.58 -0.28 3.99 2.35 -1.96 -1.95 115.58 116.24 2j24 h ASN 106 Ca -0.47 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2j24 h ASN 106 Cb 1.29 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 2j24 h ASN 106 CO 0.43 0.41 0.17 -0.08 -1.65 0.00 0.00 177.43 176.71 2j24 h GLU 107 N 0.70 0.34 -0.24 0.81 4.81 -1.93 -1.09 114.58 117.97 2j24 h GLU 107 Ca 0.22 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2j24 h GLU 107 Cb -0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2j24 h GLU 107 CO -0.08 0.22 0.13 0.82 -0.73 0.00 0.00 179.01 179.37 2j24 h ILE 108 N 0.35 1.01 -0.22 2.32 2.04 -1.84 0.18 117.51 121.34 2j24 h ILE 108 Ca 0.11 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2j24 h ILE 108 Cb -0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2j24 h ILE 108 CO -0.04 0.05 0.04 0.58 0.00 0.00 0.00 178.15 178.77 2j24 h VAL 109 N 0.27 0.90 -0.97 1.67 2.07 -1.25 -1.34 116.25 117.60 2j24 h VAL 109 Ca 0.10 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.65 2j24 h VAL 109 Cb 0.01 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2j24 h VAL 109 CO -0.06 0.02 0.63 0.00 0.02 0.00 0.00 177.57 178.18 2j24 h ALA 110 N 1.16 1.47 -0.31 1.67 0.00 -0.61 0.20 119.26 122.83 2j24 h ALA 110 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2j24 h ALA 110 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2j24 h ALA 110 CO -0.13 0.37 -0.39 -0.44 0.00 0.00 0.00 179.25 178.65 2j24 h ASP 111 N 1.09 0.89 -0.37 0.00 3.32 -0.06 0.93 116.42 122.21 2j24 h ASP 111 Ca 0.43 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2j24 h ASP 111 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2j24 h ASP 111 CO -0.18 1.20 0.23 0.11 -1.72 0.00 0.00 179.24 178.89 2j24 h LYS 112 N 0.59 0.50 -0.29 3.56 1.57 -0.60 -0.73 116.57 121.17 2j24 h LYS 112 Ca 0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2j24 h LYS 112 Cb 0.98 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2j24 h LYS 112 CO 0.09 0.36 0.18 0.28 -0.57 0.00 0.00 179.45 179.79 2j24 h VAL 113 N 0.50 1.05 -0.75 0.50 2.07 -0.42 -0.42 116.25 118.78 2j24 h VAL 113 Ca 0.14 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2j24 h VAL 113 Cb -0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2j24 h VAL 113 CO -0.03 0.07 0.49 0.00 0.02 0.00 0.00 177.57 178.12 2j24 h ALA 114 N 1.12 0.95 -0.56 1.67 0.00 -0.49 -0.77 119.26 121.18 2j24 h ALA 114 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2j24 h ALA 114 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2j24 h ALA 114 CO -0.04 0.38 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 2j24 h ALA 115 N 1.27 0.81 -0.37 0.00 0.00 -0.85 -1.20 119.26 118.91 2j24 h ALA 115 Ca 0.27 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2j24 h ALA 115 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2j24 h ALA 115 CO -0.06 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 2j24 h ALA 116 N 0.98 0.50 -0.15 0.00 0.00 -0.60 -1.37 119.26 118.63 2j24 h ALA 116 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2j24 h ALA 116 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2j24 h ALA 116 CO 0.04 0.29 0.09 0.28 0.00 0.00 0.00 179.25 179.94 2j24 h VAL 117 N 0.48 1.08 -0.65 0.00 2.07 -1.08 -0.46 116.25 117.70 2j24 h VAL 117 Ca 0.10 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2j24 h VAL 117 Cb 0.48 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2j24 h VAL 117 CO 0.02 0.07 0.43 0.00 0.02 0.00 0.00 177.57 178.12 2j24 h ALA 118 N 1.00 2.05 0.00 1.67 0.00 -1.07 -1.15 119.26 121.76 2j24 h ALA 118 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2j24 h ALA 118 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2j24 h ALA 118 CO -0.01 -0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.46 2j24 n SER 119 N -4.47 0.00 0.00 0.00 7.64 -0.53 -4.92 113.62 111.34 2j24 n SER 119 Ca 0.11 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2j24 n SER 119 Cb 0.42 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2j24 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j24 n GLY 120 N 1.17 0.79 3.79 0.23 0.00 -0.44 -5.07 105.19 105.66 2j24 n GLY 120 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2j24 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j24 s PHE 121 N -2.04 2.94 -0.05 1.61 0.40 -0.22 -5.00 117.98 115.61 2j24 s PHE 121 Ca 0.00 1.57 -0.27 0.00 -0.60 0.00 0.00 56.93 57.63 2j24 s PHE 121 Cb 0.00 -3.17 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 2j24 s PHE 121 CO 0.00 -1.08 0.86 -1.64 0.70 0.00 0.00 175.22 174.06 2j24 s MET 122 N -3.07 4.47 -0.15 0.44 -1.94 0.39 -4.44 119.30 115.00 2j24 s MET 122 Ca 0.67 1.17 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2j24 s MET 122 Cb -0.21 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.16 2j24 s MET 122 CO 0.25 -0.06 -0.19 0.08 -0.01 0.00 0.00 175.02 175.08 2j24 s VAL 123 N 1.16 2.32 -0.56 -6.03 1.01 0.26 -1.70 120.40 116.85 2j24 s VAL 123 Ca 0.45 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2j24 s VAL 123 Cb -0.19 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.34 2j24 s VAL 123 CO 0.21 0.53 0.61 -0.63 0.00 0.00 0.00 175.10 175.83 2j24 s ILE 124 N 0.87 4.98 -0.26 2.22 1.01 0.10 0.92 121.20 131.04 2j24 s ILE 124 Ca -0.05 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 2j24 s ILE 124 Cb -0.15 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2j24 s ILE 124 CO -0.02 -0.99 0.37 0.00 0.00 0.00 0.00 174.94 174.29 2j24 s ALA 125 N 2.25 3.56 -0.14 9.38 0.00 0.54 -0.26 121.76 137.10 2j24 s ALA 125 Ca 0.08 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2j24 s ALA 125 Cb -0.26 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 2j24 s ALA 125 CO 0.05 -0.62 0.32 0.00 0.00 0.00 0.00 175.76 175.51 2j24 s ILE 127 N 0.26 0.93 0.00 0.00 -4.36 -0.64 -4.64 121.20 112.76 2j24 s ILE 127 Ca 0.18 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 2j24 s ILE 127 Cb -0.14 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.90 2j24 s ILE 127 CO 0.06 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.80 2j24 n GLY 128 N -0.57 4.17 3.76 6.27 0.00 -1.26 -0.00 105.19 117.56 2j24 n GLY 128 Ca -0.02 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2j24 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j24 s GLU 129 N -3.04 2.54 0.64 1.61 1.03 -1.25 -4.87 118.70 115.35 2j24 s GLU 129 Ca 0.00 -1.38 -0.05 0.00 0.03 0.00 0.00 54.97 53.57 2j24 s GLU 129 Cb 0.00 -2.31 0.04 0.00 -0.80 0.00 0.00 34.13 31.06 2j24 s GLU 129 CO 0.00 0.19 0.93 0.95 -1.33 0.00 0.00 175.26 176.01 2j24 s THR 130 N -2.33 2.65 0.18 1.83 -4.23 -1.26 -3.02 115.64 109.46 2j24 s THR 130 Ca 0.37 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2j24 s THR 130 Cb -0.05 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.82 2j24 s THR 130 CO 0.24 -0.09 1.69 0.25 -0.54 0.00 0.00 174.62 176.17 2j24 h LEU 131 N -0.35 -0.15 0.00 4.79 5.85 -1.82 -2.07 115.31 121.56 2j24 h LEU 131 Ca -0.44 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 2j24 h LEU 131 Cb 1.30 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2j24 h LEU 131 CO 0.59 -0.04 -0.43 0.06 -0.34 0.00 0.00 178.44 178.28 2j24 h GLN 132 N 0.15 0.00 0.16 1.25 3.07 -1.96 -1.85 115.11 115.94 2j24 h GLN 132 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 2j24 h GLN 132 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2j24 h GLN 132 CO -0.38 0.41 -0.16 0.93 0.09 0.00 0.00 178.83 179.72 2j24 h GLU 133 N 0.00 -0.34 -0.85 0.06 5.08 -1.90 -1.66 114.58 114.97 2j24 h GLU 133 Ca -0.01 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2j24 h GLU 133 Cb 1.32 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.56 2j24 h GLU 133 CO 0.05 -0.22 0.46 -0.09 -1.00 0.00 0.00 179.01 178.21 2j24 h ARG 134 N -0.35 0.68 0.00 2.33 2.43 -1.23 -1.57 114.38 116.67 2j24 h ARG 134 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2j24 h ARG 134 Cb 0.33 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2j24 h ARG 134 CO -0.04 0.45 -0.09 0.39 -1.51 0.00 0.00 179.97 179.17 2j24 n GLU 135 N -4.81 0.06 -0.18 0.20 1.02 -0.71 -2.22 120.64 114.00 2j24 n GLU 135 Ca 0.16 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.44 2j24 n GLU 135 Cb 0.38 -1.57 0.26 0.00 -0.02 0.00 0.00 31.44 30.50 2j24 n GLU 135 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2j24 n SER 136 N -1.68 2.43 -0.16 1.62 3.41 -0.64 -4.94 113.62 113.67 2j24 n SER 136 Ca 0.06 -1.91 -0.02 0.00 -0.26 0.00 0.00 58.87 56.75 2j24 n SER 136 Cb 0.36 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2j24 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j24 n GLY 137 N 1.26 0.43 1.15 5.00 0.00 -0.94 -4.96 105.19 107.13 2j24 n GLY 137 Ca 0.17 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 2j24 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j24 n ARG 138 N -2.25 2.39 0.20 1.61 1.74 -0.63 -4.69 116.66 115.04 2j24 n ARG 138 Ca -0.02 -3.03 -0.15 0.00 -0.77 0.00 0.00 57.85 53.88 2j24 n ARG 138 Cb 0.24 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 2j24 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2j24 h THR 139 N 1.40 0.26 -0.11 0.55 2.02 -1.84 -1.03 112.91 114.15 2j24 h THR 139 Ca 0.16 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 2j24 h THR 139 Cb 1.68 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2j24 h THR 139 CO 0.38 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.86 2j24 h ALA 140 N -0.24 1.10 0.27 6.16 0.00 -1.97 -0.92 119.26 123.66 2j24 h ALA 140 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2j24 h ALA 140 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2j24 h ALA 140 CO -0.09 0.59 -0.13 0.28 0.00 0.00 0.00 179.25 179.90 2j24 h VAL 141 N 0.20 0.76 0.26 0.00 2.07 -1.84 -2.03 116.25 115.67 2j24 h VAL 141 Ca 0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2j24 h VAL 141 Cb 0.82 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2j24 h VAL 141 CO 0.06 0.04 -0.13 0.58 0.02 0.00 0.00 177.57 178.15 2j24 h VAL 142 N -0.47 0.73 -0.59 2.57 2.07 -1.04 -0.04 116.25 119.49 2j24 h VAL 142 Ca -0.04 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2j24 h VAL 142 Cb 0.35 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2j24 h VAL 142 CO 0.06 0.15 0.39 0.58 0.02 0.00 0.00 177.57 178.76 2j24 h VAL 143 N -0.79 1.14 -0.00 2.57 2.07 -1.27 0.11 116.25 120.07 2j24 h VAL 143 Ca -0.04 -0.27 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 2j24 h VAL 143 Cb 0.51 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2j24 h VAL 143 CO 0.06 0.14 -0.86 -0.07 0.02 0.00 0.00 177.57 176.87 2j24 h LEU 144 N 0.79 0.26 -0.28 2.57 3.38 -1.40 -1.45 115.31 119.16 2j24 h LEU 144 Ca 0.22 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2j24 h LEU 144 Cb -0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2j24 h LEU 144 CO -0.06 1.00 -0.03 0.74 0.09 0.00 0.00 178.44 180.18 2j24 h THR 145 N 0.11 0.76 -0.32 0.22 2.02 -0.64 -0.87 112.91 114.20 2j24 h THR 145 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2j24 h THR 145 Cb 1.48 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2j24 h THR 145 CO 0.13 0.01 0.13 1.56 0.37 0.00 0.00 175.52 177.72 2j24 h GLN 146 N 0.05 0.47 -0.34 6.66 4.20 -0.51 -1.92 115.11 123.71 2j24 h GLN 146 Ca 0.14 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2j24 h GLN 146 Cb 0.19 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2j24 h GLN 146 CO -0.25 0.48 -0.35 0.97 -0.67 0.00 0.00 178.83 179.00 2j24 h ILE 147 N 0.36 1.28 -0.65 2.54 6.09 -1.19 -2.81 117.51 123.15 2j24 h ILE 147 Ca 0.11 -1.51 0.08 0.00 -1.37 0.00 0.00 64.86 62.17 2j24 h ILE 147 Cb 0.18 1.39 -0.07 0.00 0.47 0.00 0.00 36.82 38.79 2j24 h ILE 147 CO -0.01 0.50 0.30 0.00 -3.07 0.00 0.00 178.15 175.87 2j24 h ALA 148 N 0.95 0.86 -0.89 0.18 0.00 -1.10 0.55 119.26 119.81 2j24 h ALA 148 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2j24 h ALA 148 Cb 0.90 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2j24 h ALA 148 CO 0.08 -0.09 0.58 0.00 0.00 0.00 0.00 179.25 179.83 2j24 h ALA 149 N 1.40 1.47 0.17 0.00 0.00 -1.21 -1.10 119.26 119.99 2j24 h ALA 149 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2j24 h ALA 149 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2j24 h ALA 149 CO -0.26 0.42 -0.08 0.82 0.00 0.00 0.00 179.25 180.15 2j24 h ILE 150 N 1.07 0.88 -0.75 0.00 2.04 -1.02 -3.34 117.51 116.39 2j24 h ILE 150 Ca 0.37 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.23 2j24 h ILE 150 Cb 0.10 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2j24 h ILE 150 CO -0.12 0.22 0.50 0.00 0.00 0.00 0.00 178.15 178.74 2j24 h ALA 151 N -0.22 1.71 0.00 1.87 0.00 0.15 -2.48 119.26 120.29 2j24 h ALA 151 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2j24 h ALA 151 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2j24 h ALA 151 CO 0.04 0.17 -0.13 1.57 0.00 0.00 0.00 179.25 180.89 2j24 h LYS 152 N 0.77 0.00 -0.13 0.00 2.10 -1.32 -0.99 116.57 117.00 2j24 h LYS 152 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 2j24 h LYS 152 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2j24 h LYS 152 CO -0.12 0.13 0.00 1.63 -2.00 0.00 0.00 179.45 179.09 2j24 n LYS 153 N -3.52 1.62 -4.58 0.07 4.01 -0.94 -4.94 118.16 109.90 2j24 n LYS 153 Ca -0.01 -0.93 -0.27 0.00 -0.51 0.00 0.00 58.31 56.59 2j24 n LYS 153 Cb 0.28 -1.39 -0.11 0.00 -0.51 0.00 0.00 35.03 33.30 2j24 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2j24 s LEU 154 N -1.60 2.79 0.36 -0.35 1.43 -0.38 -4.82 118.68 116.10 2j24 s LEU 154 Ca 0.32 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.20 2j24 s LEU 154 Cb 0.17 -0.93 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 2j24 s LEU 154 CO 0.26 -0.33 0.01 -0.54 0.23 0.00 0.00 176.35 175.97 2j24 s LYS 155 N -3.67 1.78 0.15 1.70 -0.14 -1.26 -4.98 119.74 113.32 2j24 s LYS 155 Ca 0.34 -1.98 -0.19 0.00 -1.36 0.00 0.00 55.97 52.78 2j24 s LYS 155 Cb 0.06 -1.32 0.04 0.00 -1.68 0.00 0.00 37.83 34.93 2j24 s LYS 155 CO 0.17 -0.06 1.68 -0.22 -0.76 0.00 0.00 175.35 176.15 2j24 h LYS 156 N 1.98 -0.04 0.00 1.68 3.64 -1.97 -1.98 116.57 119.88 2j24 h LYS 156 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2j24 h LYS 156 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2j24 h LYS 156 CO 0.74 -0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.89 2j24 h ALA 157 N 1.23 1.00 0.00 5.00 0.00 -2.02 -1.96 119.26 122.50 2j24 h ALA 157 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2j24 h ALA 157 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2j24 h ALA 157 CO -0.33 0.00 -0.27 -0.44 0.00 0.00 0.00 179.25 178.21 2j24 h ASP 158 N 0.00 0.00 0.66 0.00 3.32 -1.77 -3.17 116.42 115.46 2j24 h ASP 158 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2j24 h ASP 158 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2j24 h ASP 158 CO 0.00 0.27 0.00 0.79 -1.72 0.00 0.00 179.24 178.58 2j24 n TRP 159 N -4.08 0.81 0.37 4.55 7.02 -0.74 -1.05 117.44 124.33 2j24 n TRP 159 Ca -0.02 0.33 0.13 0.00 -1.02 0.00 0.00 57.50 56.92 2j24 n TRP 159 Cb 0.33 -1.03 0.54 0.00 -2.42 0.00 0.00 31.31 28.73 2j24 n TRP 159 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2j24 h ALA 160 N 2.24 1.00 -0.41 6.99 0.00 -1.76 -2.55 119.26 124.77 2j24 h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j24 h ALA 160 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2j24 h ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2j24 n LYS 161 N -2.44 2.97 -4.34 0.00 5.02 -0.21 -4.97 118.16 114.19 2j24 n LYS 161 Ca 0.02 -2.36 -0.34 0.00 -2.02 0.00 0.00 58.31 53.61 2j24 n LYS 161 Cb 0.25 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 2j24 n LYS 161 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2j24 s VAL 162 N -1.42 3.78 -0.09 -0.18 1.01 -0.96 -0.57 120.40 121.96 2j24 s VAL 162 Ca 0.33 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2j24 s VAL 162 Cb 0.20 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2j24 s VAL 162 CO 0.17 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 2j24 s VAL 163 N 0.57 2.81 -0.21 2.92 1.01 0.26 -4.54 120.40 123.22 2j24 s VAL 163 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2j24 s VAL 163 Cb -0.14 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2j24 s VAL 163 CO 0.03 0.56 0.23 -0.63 0.00 0.00 0.00 175.10 175.28 2j24 s ILE 164 N -0.09 5.33 -0.24 2.22 -1.09 -0.56 -0.34 121.20 126.43 2j24 s ILE 164 Ca -0.03 0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2j24 s ILE 164 Cb -0.14 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2j24 s ILE 164 CO 0.04 0.36 0.06 0.00 -1.23 0.00 0.00 174.94 174.17 2j24 s ALA 165 N 0.83 3.16 -0.67 9.38 0.00 0.20 0.46 121.76 135.11 2j24 s ALA 165 Ca 0.12 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 2j24 s ALA 165 Cb -0.13 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 21.03 2j24 s ALA 165 CO 0.04 -0.41 0.96 -0.47 0.00 0.00 0.00 175.76 175.88 2j24 s TYR 166 N 1.47 2.70 -0.48 0.00 5.04 0.90 -1.62 117.35 125.37 2j24 s TYR 166 Ca 0.06 -0.60 -0.29 0.00 -2.44 0.00 0.00 57.07 53.80 2j24 s TYR 166 Cb -0.15 -4.28 0.03 0.00 0.35 0.00 0.00 41.96 37.91 2j24 s TYR 166 CO 0.03 -1.63 1.12 -1.21 -1.34 0.00 0.00 175.55 172.52 2j24 s GLU 167 N 3.96 3.70 -1.40 4.97 2.02 0.99 -0.65 118.70 132.29 2j24 s GLU 167 Ca 0.22 0.52 -0.13 0.00 0.02 0.00 0.00 54.97 55.60 2j24 s GLU 167 Cb -0.17 -3.91 0.08 0.00 0.10 0.00 0.00 34.13 30.23 2j24 s GLU 167 CO 0.09 -1.38 2.10 0.00 0.02 0.00 0.00 175.26 176.10 2j24 n ALA 168 N 7.80 5.45 -0.24 5.21 0.00 -1.24 -3.93 120.51 133.57 2j24 n ALA 168 Ca 0.11 -4.03 0.01 0.00 0.00 0.00 0.00 53.44 49.53 2j24 n ALA 168 Cb 0.49 -3.35 0.23 0.00 0.00 0.00 0.00 19.45 16.82 2j24 n ALA 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j24 h VAL 169 N 3.94 1.19 0.00 0.00 2.07 -1.85 0.34 116.25 121.94 2j24 h VAL 169 Ca 0.51 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2j24 h VAL 169 Cb 0.64 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2j24 h VAL 169 CO 1.79 0.19 -0.01 4.11 0.02 0.00 0.00 177.57 183.68 2j24 h TRP 170 N 1.05 0.00 -0.41 1.57 5.08 -1.77 -2.31 115.95 119.15 2j24 h TRP 170 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.26 2j24 h TRP 170 Cb -0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 2j24 h TRP 170 CO -0.00 0.01 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 2j24 n ALA 171 N -2.17 2.37 -3.39 0.11 0.00 0.11 -4.50 120.51 113.04 2j24 n ALA 171 Ca -0.03 -1.04 -0.38 0.00 0.00 0.00 0.00 53.44 51.99 2j24 n ALA 171 Cb 0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2j24 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j24 s ILE 172 N -1.25 3.74 -0.09 0.00 1.01 -0.87 -4.53 121.20 119.21 2j24 s ILE 172 Ca 0.36 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2j24 s ILE 172 Cb 0.20 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2j24 s ILE 172 CO 0.28 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2j24 n GLY 173 N 4.78 0.49 0.00 6.18 0.00 -1.26 -4.91 105.19 110.47 2j24 n GLY 173 Ca -0.10 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.57 2j24 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j24 n THR 174 N -2.93 0.00 0.00 2.61 -2.24 -1.26 -4.98 114.28 105.49 2j24 n THR 174 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2j24 n THR 174 Cb 0.05 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2j24 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j24 n GLY 175 N 1.42 2.97 3.75 3.38 0.00 -1.26 -5.03 105.19 110.43 2j24 n GLY 175 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2j24 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j24 s LYS 176 N -0.22 4.75 -0.18 1.61 -0.14 -1.26 -5.01 119.74 119.30 2j24 s LYS 176 Ca 0.00 1.61 -0.05 0.00 -1.36 0.00 0.00 55.97 56.17 2j24 s LYS 176 Cb 0.00 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 2j24 s LYS 176 CO 0.00 0.38 -0.01 0.14 -0.76 0.00 0.00 175.35 175.10 2j24 s VAL 177 N -1.20 4.06 -0.42 3.17 -7.23 -1.26 -4.53 120.40 112.99 2j24 s VAL 177 Ca 0.43 -0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 60.10 2j24 s VAL 177 Cb -0.28 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 33.87 2j24 s VAL 177 CO 0.35 0.46 0.68 0.00 -0.31 0.00 0.00 175.10 176.28 2j24 s ALA 178 N 0.61 3.36 0.72 1.32 0.00 -1.26 -5.02 121.76 121.48 2j24 s ALA 178 Ca -0.01 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2j24 s ALA 178 Cb -0.14 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2j24 s ALA 178 CO 0.02 -1.72 1.07 0.95 0.00 0.00 0.00 175.76 176.08 2j24 s THR 179 N 2.91 3.79 0.49 0.00 -4.23 -1.26 -4.89 115.64 112.45 2j24 s THR 179 Ca 0.25 0.59 0.18 0.00 -1.18 0.00 0.00 61.69 61.52 2j24 s THR 179 Cb -0.14 -3.24 0.33 0.00 1.34 0.00 0.00 72.50 70.80 2j24 s THR 179 CO 0.19 -0.75 2.03 -0.65 -0.54 0.00 0.00 174.62 174.90 2j24 h PRO 180 N -0.83 0.16 0.15 3.99 0.11 -1.97 -0.04 132.00 133.58 2j24 h PRO 180 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2j24 h PRO 180 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2j24 h PRO 180 CO 0.55 0.11 -0.07 0.37 -0.21 0.00 0.00 178.00 178.74 2j24 h GLN 181 N 0.17 -0.20 -0.95 1.05 5.75 -1.97 0.12 115.11 119.08 2j24 h GLN 181 Ca 0.19 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2j24 h GLN 181 Cb 0.54 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 2j24 h GLN 181 CO -0.03 0.05 0.61 -0.56 -2.65 0.00 0.00 178.83 176.25 2j24 h GLN 182 N -0.44 1.27 0.07 1.69 3.07 -1.84 -1.40 115.11 117.54 2j24 h GLN 182 Ca -0.02 -0.09 0.01 0.00 0.09 0.00 0.00 58.65 58.64 2j24 h GLN 182 Cb 0.34 -0.28 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 2j24 h GLN 182 CO 0.03 0.86 -0.14 0.00 0.09 0.00 0.00 178.83 179.67 2j24 h ALA 183 N 1.37 -0.22 -0.77 0.06 0.00 -0.88 -2.14 119.26 116.68 2j24 h ALA 183 Ca 0.35 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2j24 h ALA 183 Cb -0.11 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2j24 h ALA 183 CO -0.07 -0.65 0.42 0.37 0.00 0.00 0.00 179.25 179.32 2j24 h GLN 184 N -0.27 0.69 -0.01 0.00 5.75 -0.49 -1.40 115.11 119.39 2j24 h GLN 184 Ca 0.02 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 2j24 h GLN 184 Cb 0.29 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2j24 h GLN 184 CO -0.08 0.46 -0.73 1.05 -2.65 0.00 0.00 178.83 176.88 2j24 h GLU 185 N 0.71 0.08 0.04 1.69 4.11 -1.03 0.50 114.58 120.69 2j24 h GLU 185 Ca 0.37 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.72 2j24 h GLU 185 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2j24 h GLU 185 CO -0.25 0.77 -0.02 0.00 0.07 0.00 0.00 179.01 179.58 2j24 h ALA 186 N 1.21 -0.05 -0.71 1.06 0.00 -0.96 -1.70 119.26 118.10 2j24 h ALA 186 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2j24 h ALA 186 Cb 1.28 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2j24 h ALA 186 CO 0.10 -0.44 0.45 0.45 0.00 0.00 0.00 179.25 179.81 2j24 h HIS 187 N -0.22 0.85 -0.70 0.00 3.86 -0.81 -1.24 115.15 116.88 2j24 h HIS 187 Ca -0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2j24 h HIS 187 Cb 0.20 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2j24 h HIS 187 CO -0.02 0.50 0.27 0.00 0.86 0.00 0.00 177.93 179.54 2j24 h ALA 188 N 1.29 0.91 -0.45 2.45 0.00 -0.01 -0.29 119.26 123.15 2j24 h ALA 188 Ca 0.28 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2j24 h ALA 188 Cb -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2j24 h ALA 188 CO -0.09 0.53 0.16 1.25 0.00 0.00 0.00 179.25 181.10 2j24 h LEU 189 N 1.00 0.16 0.32 0.00 5.85 -0.97 0.10 115.31 121.77 2j24 h LEU 189 Ca 0.23 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2j24 h LEU 189 Cb 0.22 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2j24 h LEU 189 CO -0.02 0.12 -0.16 0.40 -0.34 0.00 0.00 178.44 178.45 2j24 h ILE 190 N 0.33 0.69 -0.09 4.05 2.04 -0.88 -1.53 117.51 122.11 2j24 h ILE 190 Ca 0.21 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 2j24 h ILE 190 Cb 0.22 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2j24 h ILE 190 CO -0.22 0.03 -0.44 -0.09 0.00 0.00 0.00 178.15 177.43 2j24 h ARG 191 N -0.50 0.22 -0.32 2.37 2.43 -0.93 -1.50 114.38 116.14 2j24 h ARG 191 Ca -0.04 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2j24 h ARG 191 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2j24 h ARG 191 CO 0.07 0.62 0.17 0.77 -1.51 0.00 0.00 179.97 180.09 2j24 h SER 192 N 0.18 0.26 -0.23 -3.80 0.02 -0.71 0.23 113.55 109.50 2j24 h SER 192 Ca 0.01 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2j24 h SER 192 Cb 0.85 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2j24 h SER 192 CO 0.07 0.19 0.00 -0.25 -1.14 0.00 0.00 176.83 175.70 2j24 h TRP 193 N 0.35 -0.01 -0.30 3.45 7.01 -0.65 -0.99 115.95 124.81 2j24 h TRP 193 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2j24 h TRP 193 Cb 0.04 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2j24 h TRP 193 CO -0.09 -0.03 0.16 0.28 -2.79 0.00 0.00 178.44 175.96 2j24 h VAL 194 N 0.07 1.14 -0.89 2.65 2.07 -1.12 0.21 116.25 120.37 2j24 h VAL 194 Ca 0.11 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2j24 h VAL 194 Cb 0.13 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 2j24 h VAL 194 CO -0.18 0.14 0.53 -1.28 0.02 0.00 0.00 177.57 176.81 2j24 h SER 195 N 0.36 0.77 0.88 0.57 0.87 -0.20 0.11 113.55 116.91 2j24 h SER 195 Ca 0.10 0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.52 2j24 h SER 195 Cb 0.09 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2j24 h SER 195 CO -0.02 0.43 -1.21 0.77 -0.53 0.00 0.00 176.83 176.27 2j24 h SER 196 N 0.88 0.00 0.00 6.23 4.64 -0.42 -2.89 113.55 121.98 2j24 h SER 196 Ca 0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 2j24 h SER 196 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2j24 h SER 196 CO -0.25 0.72 -1.81 0.29 -0.87 0.00 0.00 176.83 174.91 2j24 n LYS 197 N -3.07 0.74 0.00 4.77 4.76 0.66 -4.76 118.16 121.26 2j24 n LYS 197 Ca -0.07 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2j24 n LYS 197 Cb 0.88 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 2j24 n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2j24 n ILE 198 N -2.18 0.00 0.00 -0.18 2.08 -0.12 -5.05 119.36 113.91 2j24 n ILE 198 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2j24 n ILE 198 Cb 0.56 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 2j24 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2j24 n GLY 199 N 3.11 4.48 0.25 7.39 0.00 -0.37 -4.85 105.19 115.19 2j24 n GLY 199 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.17 2j24 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j24 h ALA 200 N 0.00 1.37 -0.06 4.61 0.00 -1.76 -1.41 119.26 122.01 2j24 h ALA 200 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2j24 h ALA 200 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2j24 h ALA 200 CO 0.00 0.19 -0.11 0.38 0.00 0.00 0.00 179.25 179.70 2j24 h ASP 201 N 0.00 0.20 -0.27 0.00 2.03 -1.92 -1.76 116.42 114.70 2j24 h ASP 201 Ca -0.00 -0.56 0.06 0.00 -0.73 0.00 0.00 57.03 55.80 2j24 h ASP 201 Cb 0.35 -0.06 -0.07 0.00 -0.83 0.00 0.00 39.33 38.73 2j24 h ASP 201 CO 0.02 0.73 -0.19 0.58 -1.03 0.00 0.00 179.24 179.34 2j24 h VAL 202 N -0.31 0.47 -0.31 4.15 2.07 -1.82 -2.88 116.25 117.62 2j24 h VAL 202 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2j24 h VAL 202 Cb 0.69 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2j24 h VAL 202 CO 0.03 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 2j24 h ALA 203 N 0.97 1.48 0.00 1.67 0.00 -1.23 -0.18 119.26 121.96 2j24 h ALA 203 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2j24 h ALA 203 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2j24 h ALA 203 CO -0.38 0.38 -0.29 0.78 0.00 0.00 0.00 179.25 179.75 2j24 h GLY 204 N 0.74 0.00 0.92 0.00 0.00 -1.23 -3.22 103.07 100.29 2j24 h GLY 204 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2j24 h GLY 204 CO 0.00 0.00 -0.81 1.18 0.00 0.00 0.00 176.54 176.92 2j24 n GLU 205 N -4.09 0.30 -2.65 4.80 -0.58 -0.15 -4.48 120.64 113.79 2j24 n GLU 205 Ca -0.02 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2j24 n GLU 205 Cb 0.34 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 2j24 n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2j24 s LEU 206 N -4.14 4.43 -0.28 -4.62 2.96 -0.78 -4.77 118.68 111.48 2j24 s LEU 206 Ca 0.05 1.81 -0.23 0.00 -0.22 0.00 0.00 54.13 55.54 2j24 s LEU 206 Cb 0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 2j24 s LEU 206 CO 0.76 -0.22 0.75 -0.13 -1.32 0.00 0.00 176.35 176.19 2j24 s ARG 207 N 0.49 4.05 -0.30 1.98 3.00 -1.26 -4.87 118.95 122.04 2j24 s ARG 207 Ca 0.51 0.66 -0.04 0.00 0.00 0.00 0.00 55.73 56.86 2j24 s ARG 207 Cb -0.24 -3.69 0.04 0.00 0.00 0.00 0.00 34.95 31.06 2j24 s ARG 207 CO 0.30 -0.57 0.03 0.42 0.00 0.00 0.00 175.30 175.47 2j24 s ILE 208 N 2.81 3.31 -0.01 1.52 1.01 -1.25 -1.50 121.20 127.08 2j24 s ILE 208 Ca 0.31 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 2j24 s ILE 208 Cb -0.15 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 2j24 s ILE 208 CO 0.10 -0.04 0.40 -0.76 0.00 0.00 0.00 174.94 174.64 2j24 s LEU 209 N 1.34 4.46 -0.08 2.97 1.43 0.17 -0.44 118.68 128.54 2j24 s LEU 209 Ca -0.02 0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 53.75 2j24 s LEU 209 Cb -0.19 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2j24 s LEU 209 CO -0.00 0.31 0.84 -0.47 0.23 0.00 0.00 176.35 177.26 2j24 s TYR 210 N -1.00 3.55 -0.18 0.29 5.04 0.49 -0.07 117.35 125.47 2j24 s TYR 210 Ca 0.23 1.40 0.19 0.00 -2.44 0.00 0.00 57.07 56.45 2j24 s TYR 210 Cb -0.16 -2.98 0.46 0.00 0.35 0.00 0.00 41.96 39.62 2j24 s TYR 210 CO 0.13 -0.06 1.16 0.41 -1.34 0.00 0.00 175.55 175.85 2j24 n GLY 211 N 3.15 3.01 1.15 8.97 0.00 0.18 -1.35 105.19 120.31 2j24 n GLY 211 Ca 0.03 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 2j24 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j24 n GLY 212 N -0.38 -0.41 3.55 -0.02 0.00 -1.25 -3.61 105.19 103.06 2j24 n GLY 212 Ca 0.16 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2j24 n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j24 n SER 213 N -3.14 2.24 -4.49 1.61 2.88 -1.26 -4.87 113.62 106.59 2j24 n SER 213 Ca 0.05 -0.29 -0.34 0.00 -1.33 0.00 0.00 58.87 56.96 2j24 n SER 213 Cb 0.17 -1.50 -0.12 0.00 -0.75 0.00 0.00 64.21 62.01 2j24 n SER 213 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2j24 s VAL 214 N 11.10 3.62 0.33 2.46 0.11 -1.26 -5.03 120.40 131.74 2j24 s VAL 214 Ca 1.03 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.65 2j24 s VAL 214 Cb -0.35 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2j24 s VAL 214 CO 0.31 0.53 0.18 0.54 -3.33 0.00 0.00 175.10 173.33 2j24 s ASN 215 N -0.02 1.85 0.47 3.54 2.20 -1.26 -4.38 114.94 117.35 2j24 s ASN 215 Ca -0.01 -1.63 0.22 0.00 -0.94 0.00 0.00 52.86 50.51 2j24 s ASN 215 Cb -0.14 0.45 1.18 0.00 -2.00 0.00 0.00 41.25 40.74 2j24 s ASN 215 CO 0.03 -0.93 1.98 1.23 -2.94 0.00 0.00 177.10 176.47 2j24 h GLY 216 N 2.10 0.00 0.84 0.45 0.00 -1.95 -2.42 103.07 102.10 2j24 h GLY 216 Ca -0.32 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 2j24 h GLY 216 CO 0.50 0.00 -0.92 0.50 0.00 0.00 0.00 176.54 176.61 2j24 h LYS 217 N 0.00 0.38 0.00 4.80 6.56 -1.96 -3.37 116.57 122.98 2j24 h LYS 217 Ca -0.00 -0.60 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 2j24 h LYS 217 Cb 0.44 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2j24 h LYS 217 CO 0.02 1.27 -0.64 -2.95 -2.06 0.00 0.00 179.45 175.10 2j24 h ASN 218 N -0.19 0.00 -0.94 0.86 7.08 -1.93 -3.41 115.58 117.05 2j24 h ASN 218 Ca -0.15 -0.10 0.04 0.00 -3.08 0.00 0.00 56.30 53.01 2j24 h ASN 218 Cb 1.70 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.88 2j24 h ASN 218 CO 0.17 0.05 0.60 0.00 -2.08 0.00 0.00 177.43 176.18 2j24 h ALA 219 N 2.27 1.25 -0.52 4.14 0.00 -1.60 -1.13 119.26 123.67 2j24 h ALA 219 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2j24 h ALA 219 Cb 0.86 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2j24 h ALA 219 CO 0.00 0.45 0.01 -0.09 0.00 0.00 0.00 179.25 179.62 2j24 h ARG 220 N 1.15 0.92 -0.41 0.00 9.65 -1.82 0.13 114.38 124.00 2j24 h ARG 220 Ca 0.38 -0.29 -0.14 0.00 -1.10 0.00 0.00 59.98 58.84 2j24 h ARG 220 Cb 0.05 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2j24 h ARG 220 CO -0.14 0.93 -0.30 1.15 2.80 0.00 0.00 179.97 184.41 2j24 h THR 221 N 0.79 1.27 -0.67 0.20 2.02 -1.76 -2.05 112.91 112.71 2j24 h THR 221 Ca 0.15 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 2j24 h THR 221 Cb 0.51 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2j24 h THR 221 CO 0.02 0.49 0.25 -0.07 0.37 0.00 0.00 175.52 176.59 2j24 h LEU 222 N 0.77 0.92 -0.94 2.58 3.38 -0.98 -3.17 115.31 117.86 2j24 h LEU 222 Ca 0.08 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2j24 h LEU 222 Cb 0.87 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2j24 h LEU 222 CO 0.08 0.83 -0.22 0.22 0.09 0.00 0.00 178.44 179.44 2j24 h TYR 223 N 0.98 0.57 0.00 1.13 3.20 -0.15 -3.11 116.97 119.59 2j24 h TYR 223 Ca 0.23 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2j24 h TYR 223 Cb 0.21 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2j24 h TYR 223 CO 0.02 0.70 0.00 1.04 -1.64 0.00 0.00 178.16 178.28 2j24 n GLN 224 N -4.14 0.07 -1.97 1.82 6.02 -0.82 -4.66 117.38 113.70 2j24 n GLN 224 Ca -0.00 0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.75 2j24 n GLN 224 Cb 0.39 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.16 2j24 n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2j24 s GLN 225 N -2.90 3.77 0.33 -1.09 -1.52 -1.18 -4.92 119.66 112.16 2j24 s GLN 225 Ca 0.12 2.20 0.06 0.00 -1.95 0.00 0.00 55.36 55.79 2j24 s GLN 225 Cb 0.13 -2.64 0.59 0.00 -0.22 0.00 0.00 33.01 30.87 2j24 s GLN 225 CO 0.34 -0.67 1.82 0.00 -0.25 0.00 0.00 175.29 176.52 2j24 h ARG 226 N 2.37 0.37 -0.63 2.91 2.47 -1.91 -2.91 114.38 117.06 2j24 h ARG 226 Ca -0.50 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 2j24 h ARG 226 Cb 1.26 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2j24 h ARG 226 CO 0.61 0.54 0.00 -0.25 0.56 0.00 0.00 179.97 181.43 2j24 n ASP 227 N -4.20 3.73 -4.66 7.04 10.43 -1.26 -4.89 116.55 122.74 2j24 n ASP 227 Ca -0.00 -1.99 -0.37 0.00 2.57 0.00 0.00 54.79 54.99 2j24 n ASP 227 Cb 0.33 -0.42 -0.09 0.00 1.84 0.00 0.00 41.12 42.79 2j24 n ASP 227 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2j24 s VAL 228 N -1.07 5.29 -0.18 2.53 1.01 -1.10 -4.61 120.40 122.28 2j24 s VAL 228 Ca 0.44 0.40 0.16 0.00 0.00 0.00 0.00 61.98 62.98 2j24 s VAL 228 Cb 0.23 -3.60 0.43 0.00 0.00 0.00 0.00 36.38 33.45 2j24 s VAL 228 CO 0.31 0.31 1.32 0.59 0.00 0.00 0.00 175.10 177.62 2j24 n ASN 229 N 4.36 2.97 0.00 3.32 5.03 0.42 -4.88 115.26 126.48 2j24 n ASN 229 Ca -0.12 -3.22 0.00 0.00 0.87 0.00 0.00 54.58 52.11 2j24 n ASN 229 Cb 0.52 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2j24 n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j24 n GLY 230 N -0.98 0.68 3.11 7.41 0.00 -1.26 -1.29 105.19 112.87 2j24 n GLY 230 Ca 0.21 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2j24 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j24 s PHE 231 N -1.75 -0.08 -0.39 1.61 0.08 -0.37 -0.38 117.98 116.70 2j24 s PHE 231 Ca 0.00 0.16 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 2j24 s PHE 231 Cb 0.00 0.01 0.09 0.00 -0.57 0.00 0.00 43.02 42.55 2j24 s PHE 231 CO 0.00 -0.23 0.18 -1.17 -0.10 0.00 0.00 175.22 173.90 2j24 s LEU 232 N -0.84 4.92 -0.13 -0.37 2.96 -0.46 -1.43 118.68 123.34 2j24 s LEU 232 Ca -0.09 -1.68 -0.10 0.00 -0.22 0.00 0.00 54.13 52.04 2j24 s LEU 232 Cb -0.05 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2j24 s LEU 232 CO 0.01 -0.48 0.20 -0.69 -1.32 0.00 0.00 176.35 174.08 2j24 s VAL 233 N 1.27 5.38 0.00 1.68 1.01 -0.25 -4.37 120.40 125.11 2j24 s VAL 233 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2j24 s VAL 233 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2j24 s VAL 233 CO -0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2j24 n GLY 234 N 2.63 0.32 0.24 4.51 0.00 -1.26 -1.01 105.19 110.61 2j24 n GLY 234 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.87 2j24 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j24 h GLY 235 N 0.00 0.75 2.00 -0.02 0.00 -1.89 0.27 103.07 104.17 2j24 h GLY 235 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2j24 h GLY 235 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.36 2j24 h ALA 236 N 1.55 1.00 0.00 3.60 0.00 -1.89 -2.44 119.26 121.08 2j24 h ALA 236 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2j24 h ALA 236 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2j24 h ALA 236 CO -0.50 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 2j24 n SER 237 N -2.98 0.60 -0.55 0.00 3.41 0.95 -2.03 113.62 113.02 2j24 n SER 237 Ca -0.03 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 2j24 n SER 237 Cb 0.07 -0.75 0.37 0.00 -0.26 0.00 0.00 64.21 63.65 2j24 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j24 n LEU 238 N -2.11 1.65 -4.46 1.04 7.99 -0.92 -4.89 117.00 115.30 2j24 n LEU 238 Ca 0.04 -0.69 -0.23 0.00 -0.01 0.00 0.00 56.01 55.12 2j24 n LEU 238 Cb 0.30 -0.11 -0.10 0.00 -0.11 0.00 0.00 43.42 43.40 2j24 n LEU 238 CO 0.23 0.35 -0.38 -0.54 -1.51 0.00 0.00 177.39 175.54 2j24 s LYS 239 N -1.78 1.63 0.46 3.23 1.02 -0.86 -5.02 119.74 118.41 2j24 s LYS 239 Ca 0.32 -1.83 0.20 0.00 0.02 0.00 0.00 55.97 54.68 2j24 s LYS 239 Cb 0.17 -1.36 1.17 0.00 -0.52 0.00 0.00 37.83 37.29 2j24 s LYS 239 CO 0.26 0.09 1.91 -1.35 -0.92 0.00 0.00 175.35 175.34 2j24 h PRO 240 N 2.21 0.28 0.00 -1.68 0.11 -1.92 -2.48 132.00 128.52 2j24 h PRO 240 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2j24 h PRO 240 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2j24 h PRO 240 CO 0.68 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 2j24 n GLU 241 N -4.44 0.04 0.20 1.05 0.28 -1.26 -1.03 120.64 115.47 2j24 n GLU 241 Ca 0.15 0.32 0.18 0.00 -0.16 0.00 0.00 57.16 57.65 2j24 n GLU 241 Cb 0.64 -1.57 0.83 0.00 1.43 0.00 0.00 31.44 32.76 2j24 n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2j24 h PHE 242 N 0.00 0.00 -0.17 -1.84 3.57 -1.46 -0.62 116.94 116.42 2j24 h PHE 242 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 2j24 h PHE 242 Cb 0.23 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.98 2j24 h PHE 242 CO 0.00 0.00 -0.57 0.28 -2.23 0.00 0.00 178.31 175.79 2j24 h VAL 243 N 0.00 1.32 -0.66 1.41 2.07 -1.32 -1.50 116.25 117.56 2j24 h VAL 243 Ca 0.09 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 2j24 h VAL 243 Cb 0.55 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2j24 h VAL 243 CO -0.00 0.57 0.31 0.44 0.02 0.00 0.00 177.57 178.90 2j24 h ASP 244 N 0.37 0.85 -0.63 0.57 3.32 -1.48 -0.49 116.42 118.93 2j24 h ASP 244 Ca -0.02 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2j24 h ASP 244 Cb 1.20 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2j24 h ASP 244 CO 0.12 0.73 0.28 0.40 -1.72 0.00 0.00 179.24 179.05 2j24 h ILE 245 N 0.93 1.23 0.02 0.35 2.04 -0.95 -0.53 117.51 120.60 2j24 h ILE 245 Ca 0.23 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2j24 h ILE 245 Cb 0.11 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2j24 h ILE 245 CO -0.03 0.27 -0.04 0.40 0.00 0.00 0.00 178.15 178.75 2j24 h ILE 246 N 0.87 0.90 -0.95 -0.67 2.04 -0.92 -2.92 117.51 115.87 2j24 h ILE 246 Ca 0.21 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.24 2j24 h ILE 246 Cb 0.16 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2j24 h ILE 246 CO -0.02 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.84 2j24 h LYS 247 N -0.08 0.67 0.00 2.37 1.57 -0.84 -2.09 116.57 118.18 2j24 h LYS 247 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2j24 h LYS 247 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2j24 h LYS 247 CO -0.03 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 2j24 n ALA 248 N -2.41 1.32 0.72 3.86 0.00 -0.23 -1.84 120.51 121.94 2j24 n ALA 248 Ca 0.20 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.79 2j24 n ALA 248 Cb 0.54 -1.29 0.15 0.00 0.00 0.00 0.00 19.45 18.85 2j24 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j24 n THR 249 N -2.07 0.68 1.65 0.00 -2.24 -0.79 -4.62 114.28 106.90 2j24 n THR 249 Ca 0.01 -0.47 0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2j24 n THR 249 Cb 0.11 -0.02 0.79 0.00 -2.10 0.00 0.00 70.33 69.10 2j24 n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50