#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j27 s LYS 3 N 0.00 4.10 1.05 1.43 1.02 -1.26 -5.00 119.74 121.08 2j27 s LYS 3 Ca 0.00 1.87 -0.15 0.00 0.02 0.00 0.00 55.97 57.71 2j27 s LYS 3 Cb 0.00 -2.73 0.21 0.00 -0.52 0.00 0.00 37.83 34.80 2j27 s LYS 3 CO 0.00 -0.29 1.14 -1.25 -0.92 0.00 0.00 175.35 174.03 2j27 s PRO 4 N -2.23 0.02 0.03 -1.68 0.04 -1.26 -4.92 135.00 125.00 2j27 s PRO 4 Ca 0.56 0.12 -0.35 0.00 0.04 0.00 0.00 61.00 61.37 2j27 s PRO 4 Cb -0.31 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2j27 s PRO 4 CO 0.40 -2.92 1.68 0.94 0.04 0.00 0.00 177.00 177.14 2j27 n GLN 5 N -4.23 1.99 -1.40 4.56 7.27 -1.26 -4.95 117.38 119.35 2j27 n GLN 5 Ca 0.10 0.72 -0.30 0.00 0.07 0.00 0.00 57.00 57.59 2j27 n GLN 5 Cb 0.59 -2.50 0.10 0.00 2.41 0.00 0.00 30.24 30.83 2j27 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2j27 s PRO 6 N 2.26 2.05 -0.03 3.69 0.04 -1.26 -4.86 135.00 136.89 2j27 s PRO 6 Ca 0.86 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2j27 s PRO 6 Cb -0.74 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 2j27 s PRO 6 CO 0.46 -1.70 -0.14 0.42 0.04 0.00 0.00 177.00 176.09 2j27 s ILE 7 N -3.03 1.15 -0.30 0.56 1.01 -0.59 -1.20 121.20 118.81 2j27 s ILE 7 Ca 0.61 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2j27 s ILE 7 Cb -0.16 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.38 2j27 s ILE 7 CO 0.55 0.34 -0.02 0.00 0.00 0.00 0.00 174.94 175.82 2j27 s ALA 8 N 0.03 2.76 -0.22 9.38 0.00 -0.39 -1.44 121.76 131.88 2j27 s ALA 8 Ca -0.02 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 49.95 2j27 s ALA 8 Cb -0.09 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2j27 s ALA 8 CO 0.01 -1.35 0.01 0.00 0.00 0.00 0.00 175.76 174.43 2j27 s ALA 9 N 1.14 3.01 -0.41 0.00 0.00 -0.05 -1.41 121.76 124.03 2j27 s ALA 9 Ca -0.03 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 2j27 s ALA 9 Cb -0.20 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.08 2j27 s ALA 9 CO -0.04 -0.35 0.64 0.00 0.00 0.00 0.00 175.76 176.02 2j27 s ALA 10 N 1.35 3.38 -0.59 0.00 0.00 0.96 -0.24 121.76 126.63 2j27 s ALA 10 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2j27 s ALA 10 Cb -0.15 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 19.86 2j27 s ALA 10 CO 0.01 -1.63 0.53 1.21 0.00 0.00 0.00 175.76 175.87 2j27 s ASN 11 N 1.94 6.22 0.00 0.00 2.47 0.68 -0.40 114.94 125.84 2j27 s ASN 11 Ca 0.23 -2.01 0.17 0.00 0.42 0.00 0.00 52.86 51.68 2j27 s ASN 11 Cb -0.14 -2.18 0.75 0.00 -1.45 0.00 0.00 41.25 38.23 2j27 s ASN 11 CO 0.18 -0.77 1.55 0.79 -3.72 0.00 0.00 177.10 175.12 2j27 n TRP 12 N 4.91 0.00 -3.66 0.43 8.01 -0.92 -4.25 117.44 121.97 2j27 n TRP 12 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2j27 n TRP 12 Cb 0.41 -0.48 0.00 0.00 -2.01 0.00 0.00 31.31 29.24 2j27 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2j27 n LYS 13 N -1.48 0.00 -2.55 -0.99 5.02 -1.26 -3.27 118.16 113.63 2j27 n LYS 13 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2j27 n LYS 13 Cb 0.19 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.21 2j27 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j27 s ASN 15 N -0.21 0.20 0.00 0.00 0.01 -1.20 -5.13 114.94 108.60 2j27 s ASN 15 Ca 0.38 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 2j27 s ASN 15 Cb 0.09 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.98 2j27 s ASN 15 CO 0.03 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 2j27 n GLY 16 N 0.65 3.54 3.78 0.66 0.00 -1.26 -4.73 105.19 107.84 2j27 n GLY 16 Ca -0.18 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 2j27 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j27 s SER 17 N 0.00 4.82 0.28 1.61 1.04 -1.26 -4.98 113.70 115.21 2j27 s SER 17 Ca 0.00 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 2j27 s SER 17 Cb 0.00 -0.69 0.38 0.00 0.10 0.00 0.00 66.02 65.81 2j27 s SER 17 CO 0.00 -0.43 1.93 1.56 0.98 0.00 0.00 173.24 177.28 2j27 h GLN 18 N 1.36 1.18 -0.11 4.02 4.20 -1.99 -0.94 115.11 122.83 2j27 h GLN 18 Ca -0.43 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 2j27 h GLN 18 Cb 1.26 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 2j27 h GLN 18 CO 0.62 0.78 -0.15 0.37 -0.67 0.00 0.00 178.83 179.78 2j27 h GLN 19 N 1.21 0.30 -0.59 1.46 4.15 -1.99 -1.06 115.11 118.59 2j27 h GLN 19 Ca 0.37 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 2j27 h GLN 19 Cb -0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2j27 h GLN 19 CO -0.10 0.74 -0.04 0.66 -1.93 0.00 0.00 178.83 178.16 2j27 h SER 20 N -0.12 1.06 0.26 -0.69 4.64 -1.89 -1.85 113.55 114.96 2j27 h SER 20 Ca 0.01 -0.32 -0.17 0.00 -0.47 0.00 0.00 61.79 60.84 2j27 h SER 20 Cb 0.71 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2j27 h SER 20 CO 0.04 1.13 -0.68 -0.07 -0.87 0.00 0.00 176.83 176.37 2j27 h LEU 21 N 0.97 0.44 -0.63 5.97 3.38 -1.21 -2.06 115.31 122.17 2j27 h LEU 21 Ca 0.16 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2j27 h LEU 21 Cb 0.61 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2j27 h LEU 21 CO 0.04 1.00 0.41 0.28 0.09 0.00 0.00 178.44 180.26 2j27 h SER 22 N 0.27 0.70 -0.80 -0.43 0.02 -0.94 0.79 113.55 113.17 2j27 h SER 22 Ca -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2j27 h SER 22 Cb 1.24 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2j27 h SER 22 CO 0.12 0.51 0.45 -0.33 -1.14 0.00 0.00 176.83 176.44 2j27 h GLU 23 N 0.83 1.10 -0.33 3.45 5.08 -1.24 -1.47 114.58 122.02 2j27 h GLU 23 Ca 0.23 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2j27 h GLU 23 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2j27 h GLU 23 CO -0.06 0.80 -0.12 1.25 -1.00 0.00 0.00 179.01 179.89 2j27 h LEU 24 N 1.10 0.67 -1.16 1.33 5.85 -0.94 -2.77 115.31 119.39 2j27 h LEU 24 Ca 0.28 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2j27 h LEU 24 Cb 0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2j27 h LEU 24 CO -0.05 0.90 0.58 0.40 -0.34 0.00 0.00 178.44 179.93 2j27 h ILE 25 N 0.43 1.10 -0.90 4.05 2.04 -0.74 -0.91 117.51 122.57 2j27 h ILE 25 Ca 0.08 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2j27 h ILE 25 Cb 0.63 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2j27 h ILE 25 CO 0.04 0.19 0.56 0.44 0.00 0.00 0.00 178.15 179.38 2j27 h ASP 26 N 1.05 1.07 -0.30 1.72 3.32 -1.05 0.61 116.42 122.85 2j27 h ASP 26 Ca 0.37 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2j27 h ASP 26 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2j27 h ASP 26 CO -0.12 0.81 0.09 -0.07 -1.72 0.00 0.00 179.24 178.22 2j27 h LEU 27 N 1.24 0.45 -0.74 1.55 3.38 -1.01 -2.79 115.31 117.38 2j27 h LEU 27 Ca 0.33 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2j27 h LEU 27 Cb -0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2j27 h LEU 27 CO -0.06 0.54 0.43 -0.26 0.09 0.00 0.00 178.44 179.17 2j27 h PHE 28 N 0.33 0.79 0.00 1.13 0.04 -0.54 -1.92 116.94 116.77 2j27 h PHE 28 Ca 0.10 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2j27 h PHE 28 Cb 0.26 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2j27 h PHE 28 CO 0.01 0.38 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.12 2j27 h ASN 29 N 0.78 0.00 -0.04 2.17 2.35 -0.72 -2.28 115.58 117.83 2j27 h ASN 29 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2j27 h ASN 29 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2j27 h ASN 29 CO -0.19 0.06 0.00 -1.20 -1.65 0.00 0.00 177.43 174.45 2j27 n SER 30 N -3.98 1.68 -4.76 5.81 7.64 -0.73 -4.76 113.62 114.52 2j27 n SER 30 Ca -0.03 -1.58 -0.40 0.00 1.01 0.00 0.00 58.87 57.88 2j27 n SER 30 Cb 0.15 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 2j27 n SER 30 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2j27 s THR 31 N -1.96 4.15 -0.36 0.44 -1.32 -0.86 -5.00 115.64 110.73 2j27 s THR 31 Ca 0.36 1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 62.71 2j27 s THR 31 Cb 0.20 -4.27 0.01 0.00 -1.51 0.00 0.00 72.50 66.94 2j27 s THR 31 CO 0.32 0.50 0.21 -0.55 -2.21 0.00 0.00 174.62 172.89 2j27 s SER 32 N -1.18 5.78 -0.21 8.08 0.15 -1.26 -5.05 113.70 120.01 2j27 s SER 32 Ca 0.40 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 56.27 2j27 s SER 32 Cb -0.25 -2.05 0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2j27 s SER 32 CO 0.30 -0.33 -0.11 -0.63 1.20 0.00 0.00 173.24 173.68 2j27 s ILE 33 N 1.61 1.74 -0.20 6.45 1.01 -1.26 -5.01 121.20 125.53 2j27 s ILE 33 Ca 0.04 -1.09 0.16 0.00 0.00 0.00 0.00 60.65 59.76 2j27 s ILE 33 Cb -0.18 -1.81 0.41 0.00 0.01 0.00 0.00 42.46 40.89 2j27 s ILE 33 CO 0.07 0.16 1.30 0.59 0.00 0.00 0.00 174.94 177.07 2j27 n ASN 34 N 4.65 3.22 -4.32 3.58 3.02 -1.26 -4.98 115.26 119.16 2j27 n ASN 34 Ca -0.15 -2.93 -0.17 0.00 -0.03 0.00 0.00 54.58 51.30 2j27 n ASN 34 Cb 0.46 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2j27 n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2j27 s HIS 35 N -2.65 1.54 -0.42 3.10 -3.43 -1.26 -5.11 115.29 107.06 2j27 s HIS 35 Ca 0.36 -1.12 -0.29 0.00 -0.80 0.00 0.00 55.06 53.21 2j27 s HIS 35 Cb 0.29 -0.91 0.02 0.00 -1.43 0.00 0.00 32.58 30.55 2j27 s HIS 35 CO 0.07 -0.26 1.19 0.34 -2.00 0.00 0.00 174.74 174.07 2j27 s ASP 36 N -3.31 6.65 -0.15 7.38 2.15 -1.26 -4.97 116.67 123.15 2j27 s ASP 36 Ca 0.35 0.70 -0.10 0.00 0.43 0.00 0.00 52.55 53.93 2j27 s ASP 36 Cb 0.08 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.20 2j27 s ASP 36 CO 0.12 -1.20 0.38 0.54 -0.17 0.00 0.00 175.17 174.84 2j27 s VAL 37 N 4.45 -0.02 -0.33 1.11 0.11 -1.26 -4.21 120.40 120.26 2j27 s VAL 37 Ca 0.50 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.39 2j27 s VAL 37 Cb -0.10 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2j27 s VAL 37 CO 0.28 0.02 0.72 -1.58 -3.33 0.00 0.00 175.10 171.21 2j27 s GLN 38 N 0.87 3.86 -0.01 1.54 2.00 -0.34 -4.90 119.66 122.68 2j27 s GLN 38 Ca -0.05 0.36 -0.09 0.00 -2.00 0.00 0.00 55.36 53.57 2j27 s GLN 38 Cb -0.06 -3.76 -0.05 0.00 0.80 0.00 0.00 33.01 29.94 2j27 s GLN 38 CO -0.07 -0.69 0.30 0.00 -0.50 0.00 0.00 175.29 174.33 2j27 s VAL 40 N -1.20 0.68 -0.24 0.00 1.01 -0.50 -1.09 120.40 119.05 2j27 s VAL 40 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2j27 s VAL 40 Cb -0.14 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.63 2j27 s VAL 40 CO 0.13 0.24 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 2j27 s VAL 41 N 0.56 2.54 -0.49 2.92 1.01 -0.04 -0.02 120.40 126.87 2j27 s VAL 41 Ca -0.08 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 2j27 s VAL 41 Cb -0.12 -2.33 0.11 0.00 0.00 0.00 0.00 36.38 34.04 2j27 s VAL 41 CO 0.01 0.16 0.41 0.00 0.00 0.00 0.00 175.10 175.68 2j27 s ALA 42 N 1.25 3.53 0.55 5.51 0.00 0.47 -0.61 121.76 132.45 2j27 s ALA 42 Ca -0.02 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 49.57 2j27 s ALA 42 Cb -0.17 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 19.93 2j27 s ALA 42 CO -0.06 -1.87 0.78 -1.54 0.00 0.00 0.00 175.76 173.08 2j27 s SER 43 N 2.95 5.33 0.98 0.00 1.04 -1.16 -2.16 113.70 120.67 2j27 s SER 43 Ca 0.04 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 2j27 s SER 43 Cb -0.27 -1.01 0.18 0.00 0.10 0.00 0.00 66.02 65.02 2j27 s SER 43 CO 0.03 -1.11 1.12 0.42 0.98 0.00 0.00 173.24 174.67 2j27 s THR 44 N -2.78 2.06 0.36 2.02 -4.23 -1.26 -4.25 115.64 107.56 2j27 s THR 44 Ca 0.56 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 2j27 s THR 44 Cb -0.10 -2.05 0.27 0.00 1.34 0.00 0.00 72.50 71.95 2j27 s THR 44 CO 0.39 -0.03 2.02 -0.26 -0.54 0.00 0.00 174.62 176.20 2j27 h PHE 45 N -2.06 0.75 -0.07 3.99 0.04 -1.95 -1.59 116.94 116.04 2j27 h PHE 45 Ca -0.48 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.26 2j27 h PHE 45 Cb 1.28 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 2j27 h PHE 45 CO 0.45 0.47 -0.18 0.28 -0.60 0.00 0.00 178.31 178.73 2j27 h VAL 46 N 0.81 1.17 -0.14 -0.55 2.07 -2.03 -2.78 116.25 114.79 2j27 h VAL 46 Ca 0.22 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2j27 h VAL 46 Cb -0.08 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2j27 h VAL 46 CO -0.05 0.23 0.00 1.41 0.02 0.00 0.00 177.57 179.18 2j27 n HIS 47 N -4.27 0.17 -0.21 1.57 8.25 -0.62 -4.36 115.22 115.75 2j27 n HIS 47 Ca -0.02 -0.09 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 2j27 n HIS 47 Cb 0.28 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 2j27 n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2j27 h LEU 48 N 3.06 0.79 -0.17 2.41 3.38 -1.24 -0.82 115.31 122.72 2j27 h LEU 48 Ca 0.00 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2j27 h LEU 48 Cb 0.66 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2j27 h LEU 48 CO 0.00 0.71 -0.14 0.00 0.09 0.00 0.00 178.44 179.10 2j27 h ALA 49 N 1.11 -0.03 -0.34 1.53 0.00 -1.81 -0.04 119.26 119.69 2j27 h ALA 49 Ca 0.20 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2j27 h ALA 49 Cb 0.15 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2j27 h ALA 49 CO -0.02 -0.58 -0.18 0.00 0.00 0.00 0.00 179.25 178.47 2j27 h MET 50 N -0.16 0.61 -0.16 0.00 -0.00 -1.80 -1.65 114.93 111.78 2j27 h MET 50 Ca 0.11 -0.21 -0.13 0.00 -0.00 0.00 0.00 59.70 59.46 2j27 h MET 50 Cb 0.32 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2j27 h MET 50 CO -0.26 0.76 -0.42 1.79 -0.00 0.00 0.00 176.91 178.77 2j27 h THR 51 N 0.55 1.34 -0.83 -0.10 1.35 -0.82 -0.86 112.91 113.55 2j27 h THR 51 Ca 0.09 -1.69 0.08 0.00 -0.55 0.00 0.00 66.41 64.33 2j27 h THR 51 Cb 0.62 2.00 -0.07 0.00 -1.73 0.00 0.00 68.15 68.97 2j27 h THR 51 CO 0.04 0.52 0.49 0.50 -0.25 0.00 0.00 175.52 176.82 2j27 h LYS 52 N 0.21 0.85 -0.20 4.72 3.64 -0.93 -0.18 116.57 124.68 2j27 h LYS 52 Ca -0.01 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 2j27 h LYS 52 Cb 1.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2j27 h LYS 52 CO 0.09 0.56 -0.54 1.49 -2.27 0.00 0.00 179.45 178.78 2j27 h GLU 53 N 0.87 0.60 0.00 1.90 4.81 -1.05 -3.37 114.58 118.35 2j27 h GLU 53 Ca 0.38 -0.37 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2j27 h GLU 53 Cb 0.25 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2j27 h GLU 53 CO -0.20 0.98 -2.04 -2.13 -0.73 0.00 0.00 179.01 174.89 2j27 n ARG 54 N -3.97 0.66 -2.42 1.92 0.63 -0.35 -4.82 116.66 108.31 2j27 n ARG 54 Ca -0.03 0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.63 2j27 n ARG 54 Cb 0.60 -1.66 -0.02 0.00 0.45 0.00 0.00 32.46 31.83 2j27 n ARG 54 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2j27 s LEU 55 N -5.87 3.94 0.00 6.15 2.96 -0.10 -4.86 118.68 120.90 2j27 s LEU 55 Ca -0.08 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 2j27 s LEU 55 Cb 0.07 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2j27 s LEU 55 CO 0.82 -1.02 0.22 -1.54 -1.32 0.00 0.00 176.35 173.51 2j27 n SER 56 N 7.44 0.44 -4.68 3.68 3.41 -1.26 -4.85 113.62 117.79 2j27 n SER 56 Ca 0.15 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.57 2j27 n SER 56 Cb 0.46 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 2j27 n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2j27 s HIS 57 N -0.25 2.00 -0.37 7.33 5.04 -1.26 -4.84 115.29 122.95 2j27 s HIS 57 Ca 0.00 -0.05 0.23 0.00 -1.54 0.00 0.00 55.06 53.70 2j27 s HIS 57 Cb 0.00 -4.15 1.06 0.00 0.04 0.00 0.00 32.58 29.53 2j27 s HIS 57 CO 0.00 -4.82 1.71 -0.35 -2.34 0.00 0.00 174.74 168.93 2j27 n PRO 58 N 6.10 0.18 -0.03 2.88 -0.04 -1.26 -1.54 135.00 141.29 2j27 n PRO 58 Ca 0.18 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 2j27 n PRO 58 Cb 0.39 -1.92 0.50 0.00 -0.04 0.00 0.00 33.50 32.44 2j27 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2j27 n LYS 59 N -2.27 1.57 -4.41 0.54 5.02 -1.26 -4.85 118.16 112.50 2j27 n LYS 59 Ca 0.01 -0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 55.12 2j27 n LYS 59 Cb 0.17 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 2j27 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2j27 s PHE 60 N -1.91 3.04 0.22 2.13 0.40 -0.59 -0.88 117.98 120.39 2j27 s PHE 60 Ca 0.35 0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 2j27 s PHE 60 Cb 0.19 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2j27 s PHE 60 CO 0.30 0.42 -0.15 0.14 0.70 0.00 0.00 175.22 176.63 2j27 s VAL 61 N -0.96 1.86 0.07 -0.44 -7.23 -0.25 -4.87 120.40 108.58 2j27 s VAL 61 Ca 0.16 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 2j27 s VAL 61 Cb -0.11 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2j27 s VAL 61 CO 0.06 -0.55 0.34 -0.51 -0.31 0.00 0.00 175.10 174.13 2j27 s ILE 62 N -2.90 5.20 0.06 -0.62 1.10 -1.26 -0.86 121.20 121.92 2j27 s ILE 62 Ca 0.24 0.19 0.02 0.00 -0.51 0.00 0.00 60.65 60.59 2j27 s ILE 62 Cb -0.01 -3.61 -0.03 0.00 0.15 0.00 0.00 42.46 38.95 2j27 s ILE 62 CO 0.08 0.23 -0.07 0.00 -2.11 0.00 0.00 174.94 173.07 2j27 s ALA 63 N -1.45 0.72 0.40 1.50 0.00 0.22 -3.74 121.76 119.41 2j27 s ALA 63 Ca 0.34 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 2j27 s ALA 63 Cb -0.13 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2j27 s ALA 63 CO 0.20 -0.13 0.62 0.00 0.00 0.00 0.00 175.76 176.45 2j27 s ALA 64 N -2.43 3.67 -1.63 0.00 0.00 -0.75 -3.00 121.76 117.62 2j27 s ALA 64 Ca -0.00 -0.90 0.24 0.00 0.00 0.00 0.00 51.96 51.29 2j27 s ALA 64 Cb -0.03 -2.19 0.22 0.00 0.00 0.00 0.00 23.12 21.12 2j27 s ALA 64 CO -0.02 -0.19 1.22 1.04 0.00 0.00 0.00 175.76 177.81 2j27 n GLN 65 N -1.96 0.72 -3.61 0.00 6.02 -1.26 -1.00 117.38 116.30 2j27 n GLN 65 Ca -0.02 -0.54 -0.00 0.00 -0.01 0.00 0.00 57.00 56.42 2j27 n GLN 65 Cb 0.56 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 2j27 n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2j27 s ASN 66 N -2.65 -0.08 0.13 1.08 2.47 -1.20 -4.62 114.94 110.07 2j27 s ASN 66 Ca 0.17 -0.09 -0.26 0.00 0.42 0.00 0.00 52.86 53.11 2j27 s ASN 66 Cb 0.18 0.15 0.07 0.00 -1.45 0.00 0.00 41.25 40.20 2j27 s ASN 66 CO 0.63 -0.26 0.97 0.00 -3.72 0.00 0.00 177.10 174.72 2j27 s ALA 67 N -2.40 -1.70 0.30 1.71 0.00 -1.26 -4.95 121.76 113.45 2j27 s ALA 67 Ca 0.13 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.39 2j27 s ALA 67 Cb 0.03 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2j27 s ALA 67 CO -0.04 -1.02 0.24 0.96 0.00 0.00 0.00 175.76 175.90 2j27 s ILE 68 N -3.22 3.93 0.13 0.00 -4.36 -0.18 -4.96 121.20 112.54 2j27 s ILE 68 Ca 0.12 -1.41 -0.12 0.00 -0.26 0.00 0.00 60.65 58.98 2j27 s ILE 68 Cb -0.01 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.38 2j27 s ILE 68 CO 0.01 -0.26 1.46 0.00 0.24 0.00 0.00 174.94 176.39 2j27 h ALA 69 N 1.38 0.54 -3.50 2.27 0.00 -1.93 -1.24 119.26 116.77 2j27 h ALA 69 Ca -0.46 -0.46 -0.42 0.00 0.00 0.00 0.00 54.91 53.57 2j27 h ALA 69 Cb 1.25 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.70 2j27 h ALA 69 CO 0.60 0.65 -0.78 0.15 0.00 0.00 0.00 179.25 179.86 2j27 s LYS 70 N -4.36 0.84 0.81 0.00 1.02 -1.26 -3.94 119.74 112.86 2j27 s LYS 70 Ca -0.11 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 54.87 2j27 s LYS 70 Cb 0.11 -0.85 0.08 0.00 -0.52 0.00 0.00 37.83 36.65 2j27 s LYS 70 CO 0.88 0.19 1.13 -1.12 -0.92 0.00 0.00 175.35 175.51 2j27 s SER 71 N -1.58 3.88 0.00 2.83 0.01 -1.26 -4.75 113.70 112.83 2j27 s SER 71 Ca -0.01 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2j27 s SER 71 Cb -0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2j27 s SER 71 CO 0.02 -2.46 0.00 0.61 0.41 0.00 0.00 173.24 171.82 2j27 n GLY 72 N -0.37 0.38 2.86 3.44 0.00 -1.26 -5.00 105.19 105.24 2j27 n GLY 72 Ca 0.11 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2j27 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j27 n ALA 73 N -0.73 5.34 -3.27 4.61 0.00 -1.26 -4.72 120.51 120.48 2j27 n ALA 73 Ca 0.00 -4.22 -0.25 0.00 0.00 0.00 0.00 53.44 48.97 2j27 n ALA 73 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 2j27 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2j27 n PHE 74 N 4.42 1.05 -1.65 0.00 3.72 -1.26 -5.10 117.46 118.64 2j27 n PHE 74 Ca 0.42 -3.77 -0.48 0.00 -0.05 0.00 0.00 57.45 53.57 2j27 n PHE 74 Cb 0.37 -0.42 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 2j27 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2j27 n THR 75 N 1.20 0.01 0.00 4.37 -1.04 -1.26 -1.53 114.28 116.03 2j27 n THR 75 Ca 0.24 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2j27 n THR 75 Cb 0.49 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 2j27 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j27 n GLY 76 N 3.17 2.49 3.97 3.41 0.00 -1.26 -5.05 105.19 111.92 2j27 n GLY 76 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2j27 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j27 s GLU 77 N -0.63 3.19 -0.05 1.61 0.41 -0.58 -5.12 118.70 117.54 2j27 s GLU 77 Ca 0.00 -0.70 0.06 0.00 -0.41 0.00 0.00 54.97 53.92 2j27 s GLU 77 Cb 0.00 -2.72 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2j27 s GLU 77 CO 0.00 0.01 -0.24 0.08 -0.49 0.00 0.00 175.26 174.62 2j27 s VAL 78 N -2.30 1.96 0.23 2.63 1.01 -1.26 -5.00 120.40 117.68 2j27 s VAL 78 Ca 0.44 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2j27 s VAL 78 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2j27 s VAL 78 CO 0.34 0.55 0.31 -0.94 0.00 0.00 0.00 175.10 175.35 2j27 s SER 79 N -0.18 6.12 0.20 3.32 1.04 -1.26 -1.01 113.70 121.93 2j27 s SER 79 Ca -0.02 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 2j27 s SER 79 Cb -0.13 -1.75 0.21 0.00 0.10 0.00 0.00 66.02 64.45 2j27 s SER 79 CO 0.03 -0.04 1.78 -0.07 0.98 0.00 0.00 173.24 175.92 2j27 h LEU 80 N 1.40 0.41 -1.33 2.42 3.38 -1.34 -1.74 115.31 118.51 2j27 h LEU 80 Ca -0.51 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2j27 h LEU 80 Cb 1.23 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2j27 h LEU 80 CO 0.62 0.26 0.26 -0.65 0.09 0.00 0.00 178.44 179.02 2j27 h PRO 81 N 0.55 0.72 -0.61 1.13 0.11 -1.87 0.43 132.00 132.45 2j27 h PRO 81 Ca 0.27 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2j27 h PRO 81 Cb 0.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 2j27 h PRO 81 CO -0.20 0.55 0.24 0.82 -0.21 0.00 0.00 178.00 179.20 2j27 h ILE 82 N 0.72 1.23 -0.44 4.15 2.04 -1.83 -0.51 117.51 122.88 2j27 h ILE 82 Ca 0.18 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 2j27 h ILE 82 Cb 0.06 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2j27 h ILE 82 CO -0.03 0.29 -0.16 -0.07 0.00 0.00 0.00 178.15 178.18 2j27 h LEU 83 N 0.85 0.84 -0.44 1.44 3.38 -0.66 -1.90 115.31 118.82 2j27 h LEU 83 Ca 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2j27 h LEU 83 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2j27 h LEU 83 CO -0.02 0.99 0.15 0.50 0.09 0.00 0.00 178.44 180.16 2j27 h LYS 84 N 0.74 0.67 -0.50 1.13 3.64 -0.69 -1.25 116.57 120.32 2j27 h LYS 84 Ca 0.11 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2j27 h LYS 84 Cb 0.67 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2j27 h LYS 84 CO 0.05 0.64 0.33 0.22 -2.27 0.00 0.00 179.45 178.43 2j27 h ASP 85 N 0.56 0.34 -0.02 4.20 3.58 -0.96 -1.49 116.42 122.63 2j27 h ASP 85 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2j27 h ASP 85 Cb 0.24 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2j27 h ASP 85 CO -0.01 0.22 0.00 0.33 -2.88 0.00 0.00 179.24 176.90 2j27 n PHE 86 N -4.47 0.02 -1.03 0.28 7.35 -0.73 -4.91 117.46 113.98 2j27 n PHE 86 Ca 0.07 -0.01 -0.01 0.00 -0.76 0.00 0.00 57.45 56.74 2j27 n PHE 86 Cb 0.29 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.11 2j27 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2j27 n GLY 87 N 0.95 0.48 3.55 7.13 0.00 -0.56 -5.03 105.19 111.71 2j27 n GLY 87 Ca 0.19 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 2j27 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j27 s VAL 88 N -2.04 4.98 -0.19 1.61 1.01 -0.55 -4.96 120.40 120.26 2j27 s VAL 88 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2j27 s VAL 88 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2j27 s VAL 88 CO 0.00 0.29 0.80 -3.20 0.00 0.00 0.00 175.10 172.98 2j27 n ASN 89 N 4.96 1.65 -4.33 3.32 2.85 -1.26 -4.10 115.26 118.35 2j27 n ASN 89 Ca -0.15 -1.54 -0.27 0.00 -0.11 0.00 0.00 54.58 52.52 2j27 n ASN 89 Cb 0.52 -0.02 -0.13 0.00 1.24 0.00 0.00 39.78 41.39 2j27 n ASN 89 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2j27 s TRP 90 N -0.57 2.05 -0.18 1.20 0.52 -1.25 -0.79 118.94 119.92 2j27 s TRP 90 Ca 0.03 -0.40 -0.19 0.00 0.02 0.00 0.00 56.10 55.57 2j27 s TRP 90 Cb 0.02 -1.15 0.05 0.00 -1.15 0.00 0.00 33.47 31.24 2j27 s TRP 90 CO 0.02 0.22 0.52 -1.50 0.02 0.00 0.00 176.95 176.24 2j27 s ILE 91 N -1.02 0.00 -0.16 2.03 2.07 -0.63 -1.81 121.20 121.68 2j27 s ILE 91 Ca 0.10 -0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 59.15 2j27 s ILE 91 Cb -0.10 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 2j27 s ILE 91 CO 0.04 -0.01 0.39 -0.69 -1.91 0.00 0.00 174.94 172.76 2j27 s VAL 92 N 0.11 5.23 0.03 4.00 1.01 -0.17 -0.69 120.40 129.92 2j27 s VAL 92 Ca -0.01 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2j27 s VAL 92 Cb -0.04 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2j27 s VAL 92 CO 0.01 0.31 -0.09 -0.76 0.00 0.00 0.00 175.10 174.58 2j27 s LEU 93 N 0.85 2.18 -0.38 3.92 1.43 -0.17 -3.24 118.68 123.26 2j27 s LEU 93 Ca 0.21 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2j27 s LEU 93 Cb -0.14 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.75 2j27 s LEU 93 CO 0.07 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2j27 n GLY 94 N 1.92 0.66 3.64 -3.19 0.00 -1.26 -0.93 105.19 106.03 2j27 n GLY 94 Ca -0.19 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2j27 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2j27 n HIS 95 N -2.88 1.55 -0.23 1.61 -0.00 -1.26 -4.39 115.22 109.62 2j27 n HIS 95 Ca -0.04 0.55 0.24 0.00 0.46 0.00 0.00 57.72 58.93 2j27 n HIS 95 Cb 0.13 -2.29 0.60 0.00 -0.12 0.00 0.00 29.99 28.31 2j27 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2j27 h SER 96 N 1.78 0.25 0.41 0.26 4.64 -1.92 0.19 113.55 119.15 2j27 h SER 96 Ca -0.45 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 2j27 h SER 96 Cb 1.32 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2j27 h SER 96 CO 0.58 0.09 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.75 2j27 h GLU 97 N 0.24 0.15 0.00 4.77 5.08 -1.99 -0.70 114.58 122.13 2j27 h GLU 97 Ca 0.47 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.51 2j27 h GLU 97 Cb 1.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2j27 h GLU 97 CO -0.12 0.66 -0.95 0.00 -1.00 0.00 0.00 179.01 177.59 2j27 h ARG 98 N 0.12 0.44 -1.00 2.33 3.08 -1.00 0.30 114.38 118.66 2j27 h ARG 98 Ca -0.00 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.58 2j27 h ARG 98 Cb 1.01 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 2j27 h ARG 98 CO 0.08 1.13 0.66 0.00 -1.07 0.00 0.00 179.97 180.77 2j27 h ARG 99 N 0.25 1.31 0.03 0.04 3.08 -1.12 -1.45 114.38 116.52 2j27 h ARG 99 Ca -0.08 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 2j27 h ARG 99 Cb 1.59 -0.29 0.01 0.00 0.08 0.00 0.00 29.97 31.36 2j27 h ARG 99 CO 0.17 0.87 -0.54 0.00 -1.07 0.00 0.00 179.97 179.40 2j27 h ALA 100 N 1.36 0.02 0.00 0.04 0.00 -1.04 -3.36 119.26 116.28 2j27 h ALA 100 Ca 0.36 -0.57 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 2j27 h ALA 100 Cb -0.15 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2j27 h ALA 100 CO -0.08 0.28 -2.38 0.66 0.00 0.00 0.00 179.25 177.73 2j27 n TYR 101 N -4.29 0.00 -1.65 0.00 4.01 0.09 -4.67 117.16 110.66 2j27 n TYR 101 Ca -0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.69 2j27 n TYR 101 Cb 0.66 -0.98 0.17 0.00 -0.31 0.00 0.00 39.34 38.87 2j27 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2j27 n TYR 102 N -2.78 0.00 -1.01 -0.72 4.01 -0.57 -4.99 117.16 111.10 2j27 n TYR 102 Ca -0.34 -1.27 -0.00 0.00 -0.16 0.00 0.00 57.90 56.13 2j27 n TYR 102 Cb 1.14 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 39.95 2j27 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2j27 n GLY 103 N -0.93 0.47 3.44 2.72 0.00 -1.16 -4.91 105.19 104.81 2j27 n GLY 103 Ca 0.17 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2j27 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j27 s GLU 104 N -0.70 3.14 1.00 1.61 2.02 -1.07 -4.97 118.70 119.74 2j27 s GLU 104 Ca 0.00 -1.00 -0.13 0.00 0.02 0.00 0.00 54.97 53.86 2j27 s GLU 104 Cb 0.00 -4.30 0.19 0.00 0.10 0.00 0.00 34.13 30.12 2j27 s GLU 104 CO 0.00 -1.77 1.12 0.95 0.02 0.00 0.00 175.26 175.58 2j27 s THR 105 N 3.71 1.95 0.31 3.63 -4.23 -1.26 -4.26 115.64 115.50 2j27 s THR 105 Ca 0.21 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 2j27 s THR 105 Cb -0.17 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.37 2j27 s THR 105 CO 0.08 0.00 1.90 0.78 -0.54 0.00 0.00 174.62 176.84 2j27 h ASN 106 N -1.87 0.84 -0.01 3.99 2.35 -1.96 -1.19 115.58 117.74 2j27 h ASN 106 Ca -0.52 0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.02 2j27 h ASN 106 Cb 1.33 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.54 2j27 h ASN 106 CO 0.56 0.52 -0.83 -0.33 -1.65 0.00 0.00 177.43 175.69 2j27 h GLU 107 N 0.94 0.68 -0.70 0.81 3.07 -1.92 -1.18 114.58 116.28 2j27 h GLU 107 Ca 0.40 -0.60 -0.06 0.00 -0.50 0.00 0.00 59.36 58.61 2j27 h GLU 107 Cb 0.32 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 2j27 h GLU 107 CO -0.16 1.21 0.20 0.82 -1.40 0.00 0.00 179.01 179.67 2j27 h ILE 108 N 0.44 1.26 -0.12 3.13 2.04 -1.76 -0.84 117.51 121.66 2j27 h ILE 108 Ca -0.07 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2j27 h ILE 108 Cb 1.46 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2j27 h ILE 108 CO 0.16 0.35 0.08 0.58 0.00 0.00 0.00 178.15 179.32 2j27 h VAL 109 N 1.03 1.05 -0.89 1.67 2.07 -1.19 -1.56 116.25 118.44 2j27 h VAL 109 Ca 0.22 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2j27 h VAL 109 Cb 0.32 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2j27 h VAL 109 CO -0.00 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.19 2j27 h ALA 110 N 1.02 1.22 -0.20 1.67 0.00 -0.91 -0.47 119.26 121.59 2j27 h ALA 110 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2j27 h ALA 110 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2j27 h ALA 110 CO -0.01 0.32 -0.49 -0.44 0.00 0.00 0.00 179.25 178.63 2j27 h ASP 111 N 1.02 0.60 -0.25 0.00 3.32 -0.87 -1.00 116.42 119.24 2j27 h ASP 111 Ca 0.38 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2j27 h ASP 111 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2j27 h ASP 111 CO -0.17 1.00 0.12 0.11 -1.72 0.00 0.00 179.24 178.58 2j27 h LYS 112 N 0.44 0.36 -0.31 3.56 1.57 -0.69 -1.60 116.57 119.89 2j27 h LYS 112 Ca 0.02 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2j27 h LYS 112 Cb 1.02 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 2j27 h LYS 112 CO 0.09 0.36 0.03 0.28 -0.57 0.00 0.00 179.45 179.64 2j27 h VAL 113 N 0.28 0.80 -0.71 0.50 2.07 -0.96 -0.29 116.25 117.94 2j27 h VAL 113 Ca 0.09 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2j27 h VAL 113 Cb 0.11 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2j27 h VAL 113 CO -0.01 0.02 0.38 0.00 0.02 0.00 0.00 177.57 177.98 2j27 h ALA 114 N 1.25 0.91 -0.70 1.67 0.00 -1.04 -0.04 119.26 121.31 2j27 h ALA 114 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2j27 h ALA 114 Cb 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2j27 h ALA 114 CO -0.23 0.44 0.23 0.00 0.00 0.00 0.00 179.25 179.70 2j27 h ALA 115 N 1.19 0.91 -0.44 0.00 0.00 -0.99 -0.34 119.26 119.59 2j27 h ALA 115 Ca 0.25 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2j27 h ALA 115 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2j27 h ALA 115 CO -0.04 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 2j27 h ALA 116 N 1.11 0.62 -0.57 0.00 0.00 -0.47 -1.60 119.26 118.35 2j27 h ALA 116 Ca 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2j27 h ALA 116 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2j27 h ALA 116 CO -0.01 0.57 0.24 0.28 0.00 0.00 0.00 179.25 180.33 2j27 h VAL 117 N 0.74 1.22 -0.12 0.00 2.07 -0.82 -1.33 116.25 118.00 2j27 h VAL 117 Ca 0.10 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2j27 h VAL 117 Cb 0.75 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2j27 h VAL 117 CO 0.06 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.96 2j27 h ALA 118 N 1.08 1.85 0.00 1.67 0.00 -0.81 -1.46 119.26 121.59 2j27 h ALA 118 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2j27 h ALA 118 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2j27 h ALA 118 CO -0.02 0.12 0.00 0.77 0.00 0.00 0.00 179.25 180.12 2j27 h SER 119 N 0.17 0.00 0.00 0.00 0.02 -0.87 -3.47 113.55 109.41 2j27 h SER 119 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2j27 h SER 119 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2j27 h SER 119 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2j27 n GLY 120 N 0.85 1.00 3.80 -3.77 0.00 -0.55 -5.09 105.19 101.42 2j27 n GLY 120 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2j27 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j27 s PHE 121 N -2.00 3.06 0.02 1.61 0.40 -0.54 -5.00 117.98 115.53 2j27 s PHE 121 Ca 0.00 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.61 2j27 s PHE 121 Cb 0.00 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.48 2j27 s PHE 121 CO 0.00 -0.70 1.01 -1.64 0.70 0.00 0.00 175.22 174.59 2j27 s MET 122 N -3.29 4.55 -0.12 0.44 -1.94 0.03 -4.45 119.30 114.52 2j27 s MET 122 Ca 0.66 1.48 0.03 0.00 -1.71 0.00 0.00 55.69 56.14 2j27 s MET 122 Cb -0.15 -3.44 0.01 0.00 2.01 0.00 0.00 34.83 33.27 2j27 s MET 122 CO 0.20 -0.06 -0.20 0.08 -0.01 0.00 0.00 175.02 175.02 2j27 s VAL 123 N 0.94 1.89 -0.55 -6.03 1.01 -0.10 -1.61 120.40 115.95 2j27 s VAL 123 Ca 0.53 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2j27 s VAL 123 Cb -0.22 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.56 2j27 s VAL 123 CO 0.28 0.52 0.64 -0.63 0.00 0.00 0.00 175.10 175.91 2j27 s ILE 124 N 0.77 4.89 -0.23 2.22 1.01 0.13 -0.34 121.20 129.65 2j27 s ILE 124 Ca -0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 2j27 s ILE 124 Cb -0.16 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 2j27 s ILE 124 CO 0.00 -0.95 0.49 0.00 0.00 0.00 0.00 174.94 174.49 2j27 s ALA 125 N 2.53 3.57 -0.08 9.38 0.00 0.72 -1.00 121.76 136.88 2j27 s ALA 125 Ca 0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2j27 s ALA 125 Cb -0.23 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2j27 s ALA 125 CO 0.08 -0.58 0.18 0.00 0.00 0.00 0.00 175.76 175.45 2j27 s ILE 127 N -1.11 0.06 0.00 0.00 -4.36 -0.17 -4.64 121.20 110.99 2j27 s ILE 127 Ca 0.19 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 2j27 s ILE 127 Cb -0.13 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.07 2j27 s ILE 127 CO 0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.87 2j27 n GLY 128 N -0.32 3.98 3.81 6.27 0.00 -1.26 -0.18 105.19 117.48 2j27 n GLY 128 Ca 0.02 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 2j27 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j27 s GLU 129 N -2.75 2.94 0.78 1.61 1.03 -1.23 -4.87 118.70 116.22 2j27 s GLU 129 Ca 0.00 -0.81 -0.10 0.00 0.03 0.00 0.00 54.97 54.10 2j27 s GLU 129 Cb 0.00 -2.69 0.08 0.00 -0.80 0.00 0.00 34.13 30.72 2j27 s GLU 129 CO 0.00 0.51 1.12 0.95 -1.33 0.00 0.00 175.26 176.51 2j27 s THR 130 N -1.67 2.12 0.21 1.83 -4.23 -1.26 -2.21 115.64 110.43 2j27 s THR 130 Ca 0.31 -0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2j27 s THR 130 Cb -0.11 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.89 2j27 s THR 130 CO 0.24 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.32 2j27 h LEU 131 N -0.91 0.31 -0.74 4.79 5.85 -1.92 -0.07 115.31 122.62 2j27 h LEU 131 Ca -0.45 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 2j27 h LEU 131 Cb 1.31 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2j27 h LEU 131 CO 0.60 0.19 -0.22 -0.61 -0.34 0.00 0.00 178.44 178.06 2j27 h GLN 132 N 0.47 0.73 -0.35 1.25 -0.00 -1.98 0.53 115.11 115.77 2j27 h GLN 132 Ca 0.31 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 2j27 h GLN 132 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 2j27 h GLN 132 CO -0.28 0.89 0.11 0.93 0.00 0.00 0.00 178.83 180.48 2j27 h GLU 133 N 0.64 0.54 -0.06 1.69 5.08 -1.77 -1.93 114.58 118.77 2j27 h GLU 133 Ca 0.09 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2j27 h GLU 133 Cb 0.72 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2j27 h GLU 133 CO 0.06 0.57 0.03 -0.09 -1.00 0.00 0.00 179.01 178.57 2j27 h ARG 134 N 0.41 0.08 0.00 2.33 9.65 -0.65 -1.36 114.38 124.84 2j27 h ARG 134 Ca 0.11 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 2j27 h ARG 134 Cb 0.25 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2j27 h ARG 134 CO -0.00 0.16 -0.17 0.93 2.80 0.00 0.00 179.97 183.68 2j27 h GLU 135 N -0.02 0.00 -0.52 0.20 5.08 -0.89 -2.67 114.58 115.76 2j27 h GLU 135 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2j27 h GLU 135 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2j27 h GLU 135 CO -0.00 0.17 0.00 -1.13 -1.00 0.00 0.00 179.01 177.05 2j27 n SER 136 N -4.33 2.89 0.00 1.42 3.41 -0.73 -4.94 113.62 111.34 2j27 n SER 136 Ca -0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2j27 n SER 136 Cb 0.24 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2j27 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j27 n GLY 137 N 1.37 0.68 1.23 5.00 0.00 -1.01 -4.95 105.19 107.52 2j27 n GLY 137 Ca 0.18 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2j27 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j27 n ARG 138 N -2.62 3.11 -0.16 1.61 1.74 -0.53 -4.60 116.66 115.21 2j27 n ARG 138 Ca 0.00 -2.61 -0.02 0.00 -0.77 0.00 0.00 57.85 54.45 2j27 n ARG 138 Cb 0.00 -1.62 0.05 0.00 -1.02 0.00 0.00 32.46 29.87 2j27 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2j27 h THR 139 N 3.54 0.55 -0.24 0.55 2.02 -1.85 -0.76 112.91 116.72 2j27 h THR 139 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2j27 h THR 139 Cb 1.11 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2j27 h THR 139 CO 0.09 0.01 0.08 0.00 0.37 0.00 0.00 175.52 176.07 2j27 h ALA 140 N 1.47 0.32 -0.52 6.16 0.00 -1.95 -0.23 119.26 124.51 2j27 h ALA 140 Ca 0.25 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2j27 h ALA 140 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2j27 h ALA 140 CO -0.47 -0.05 -0.14 -0.24 0.00 0.00 0.00 179.25 178.35 2j27 h VAL 141 N 0.22 1.27 0.13 0.00 3.04 -1.82 -0.64 116.25 118.45 2j27 h VAL 141 Ca 0.08 -1.30 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 2j27 h VAL 141 Cb 0.24 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2j27 h VAL 141 CO -0.00 0.46 -0.06 0.58 -1.01 0.00 0.00 177.57 177.53 2j27 h VAL 142 N 0.88 0.98 -0.70 1.51 2.07 -0.92 -0.84 116.25 119.23 2j27 h VAL 142 Ca 0.13 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2j27 h VAL 142 Cb 0.71 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2j27 h VAL 142 CO 0.05 0.11 0.15 0.58 0.02 0.00 0.00 177.57 178.48 2j27 h VAL 143 N -0.38 1.26 -0.19 2.57 2.07 -0.91 -1.33 116.25 119.35 2j27 h VAL 143 Ca -0.02 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 2j27 h VAL 143 Cb 0.31 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2j27 h VAL 143 CO 0.03 0.38 -0.44 -0.07 0.02 0.00 0.00 177.57 177.49 2j27 h LEU 144 N 1.07 0.48 -0.61 2.57 3.38 -1.11 -1.20 115.31 119.89 2j27 h LEU 144 Ca 0.22 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2j27 h LEU 144 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2j27 h LEU 144 CO 0.01 0.86 0.14 0.74 0.09 0.00 0.00 178.44 180.28 2j27 h THR 145 N 0.37 1.25 -0.21 0.22 2.02 -0.78 0.17 112.91 115.96 2j27 h THR 145 Ca 0.03 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 2j27 h THR 145 Cb 0.92 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2j27 h THR 145 CO 0.08 0.35 0.11 1.56 0.37 0.00 0.00 175.52 177.99 2j27 h GLN 146 N 0.90 0.29 -0.01 6.66 4.20 -0.96 -2.13 115.11 124.06 2j27 h GLN 146 Ca 0.19 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 2j27 h GLN 146 Cb 0.37 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2j27 h GLN 146 CO 0.00 0.28 -0.64 0.97 -0.67 0.00 0.00 178.83 178.77 2j27 h ILE 147 N 0.23 1.45 -0.32 2.54 2.10 -1.17 -2.85 117.51 119.48 2j27 h ILE 147 Ca 0.07 -2.16 -0.04 0.00 1.08 0.00 0.00 64.86 63.81 2j27 h ILE 147 Cb 0.07 2.15 -0.02 0.00 -1.09 0.00 0.00 36.82 37.94 2j27 h ILE 147 CO -0.01 0.62 0.00 0.00 -1.08 0.00 0.00 178.15 177.68 2j27 h ALA 148 N 1.33 1.42 -0.51 0.18 0.00 -0.76 -0.36 119.26 120.56 2j27 h ALA 148 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2j27 h ALA 148 Cb 1.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2j27 h ALA 148 CO 0.09 0.41 -0.07 0.00 0.00 0.00 0.00 179.25 179.67 2j27 h ALA 149 N 1.54 0.69 -0.05 0.00 0.00 -1.16 -1.35 119.26 118.94 2j27 h ALA 149 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2j27 h ALA 149 Cb 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2j27 h ALA 149 CO 0.01 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.68 2j27 h ILE 150 N 0.81 1.03 -0.61 0.00 2.04 -1.23 -3.01 117.51 116.53 2j27 h ILE 150 Ca 0.13 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2j27 h ILE 150 Cb 0.62 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2j27 h ILE 150 CO 0.04 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.62 2j27 h ALA 151 N 0.99 1.63 -0.21 1.87 0.00 -0.92 -1.78 119.26 120.84 2j27 h ALA 151 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2j27 h ALA 151 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2j27 h ALA 151 CO -0.00 0.32 0.15 -0.22 0.00 0.00 0.00 179.25 179.50 2j27 h LYS 152 N 0.77 0.00 -0.44 0.00 3.64 -1.10 -1.54 116.57 117.89 2j27 h LYS 152 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2j27 h LYS 152 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2j27 h LYS 152 CO -0.06 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.75 2j27 n LYS 153 N -4.47 2.56 -4.42 1.90 4.76 -0.67 -4.95 118.16 112.86 2j27 n LYS 153 Ca 0.02 -2.37 -0.26 0.00 -2.87 0.00 0.00 58.31 52.84 2j27 n LYS 153 Cb 0.30 -1.53 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 2j27 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2j27 s LEU 154 N -1.43 2.90 0.33 -0.35 1.43 -0.58 -4.78 118.68 116.21 2j27 s LEU 154 Ca 0.41 -1.12 0.09 0.00 -1.03 0.00 0.00 54.13 52.47 2j27 s LEU 154 Cb 0.23 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 2j27 s LEU 154 CO 0.32 -0.29 0.07 -0.54 0.23 0.00 0.00 176.35 176.15 2j27 s LYS 155 N -3.70 2.24 0.20 1.70 1.02 -1.26 -4.97 119.74 114.97 2j27 s LYS 155 Ca 0.35 -1.62 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 2j27 s LYS 155 Cb 0.03 -2.07 0.23 0.00 -0.52 0.00 0.00 37.83 35.49 2j27 s LYS 155 CO 0.19 0.15 1.78 -0.22 -0.92 0.00 0.00 175.35 176.32 2j27 h LYS 156 N 1.69 0.52 0.00 1.68 3.64 -1.96 -0.94 116.57 121.21 2j27 h LYS 156 Ca -0.43 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2j27 h LYS 156 Cb 1.25 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2j27 h LYS 156 CO 0.64 0.35 -0.04 0.00 -2.27 0.00 0.00 179.45 178.13 2j27 h ALA 157 N 1.35 1.06 0.00 5.00 0.00 -1.99 -2.39 119.26 122.29 2j27 h ALA 157 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2j27 h ALA 157 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2j27 h ALA 157 CO -0.22 0.05 -0.06 -0.44 0.00 0.00 0.00 179.25 178.58 2j27 h ASP 158 N 0.00 0.00 0.67 0.00 3.32 -1.57 -3.13 116.42 115.71 2j27 h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2j27 h ASP 158 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2j27 h ASP 158 CO 0.00 0.06 0.00 -0.50 -1.72 0.00 0.00 179.24 177.09 2j27 h TRP 159 N 0.00 0.00 -0.01 4.55 4.06 -1.53 -0.86 115.95 122.16 2j27 h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2j27 h TRP 159 Cb 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2j27 h TRP 159 CO 0.00 0.00 0.02 0.00 -3.56 0.00 0.00 178.44 174.90 2j27 h ALA 160 N 2.20 1.46 -0.44 1.49 0.00 -1.77 -2.14 119.26 120.06 2j27 h ALA 160 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j27 h ALA 160 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2j27 h ALA 160 CO 0.00 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.85 2j27 n LYS 161 N -3.72 2.49 -4.80 0.00 4.76 -0.33 -4.96 118.16 111.61 2j27 n LYS 161 Ca -0.03 -2.30 -0.33 0.00 -2.87 0.00 0.00 58.31 52.79 2j27 n LYS 161 Cb 0.10 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.67 2j27 n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j27 s VAL 162 N -1.33 3.14 -0.05 -0.18 1.01 -0.81 -0.92 120.40 121.26 2j27 s VAL 162 Ca 0.38 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2j27 s VAL 162 Cb 0.22 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2j27 s VAL 162 CO 0.30 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 175.10 2j27 s VAL 163 N -0.79 1.28 -0.16 2.92 1.01 0.53 -4.57 120.40 120.63 2j27 s VAL 163 Ca 0.13 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2j27 s VAL 163 Cb -0.11 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2j27 s VAL 163 CO 0.02 0.38 0.23 -0.63 0.00 0.00 0.00 175.10 175.10 2j27 s ILE 164 N 0.30 5.35 -0.29 2.22 -1.09 -0.44 -0.20 121.20 127.05 2j27 s ILE 164 Ca -0.08 0.41 -0.07 0.00 -2.23 0.00 0.00 60.65 58.68 2j27 s ILE 164 Cb -0.13 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2j27 s ILE 164 CO 0.03 0.45 0.07 0.00 -1.23 0.00 0.00 174.94 174.26 2j27 s ALA 165 N 0.13 3.05 -0.33 9.38 0.00 0.06 -0.45 121.76 133.61 2j27 s ALA 165 Ca 0.14 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 2j27 s ALA 165 Cb -0.12 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2j27 s ALA 165 CO 0.03 -0.87 0.75 -0.47 0.00 0.00 0.00 175.76 175.19 2j27 s TYR 166 N 1.50 3.17 -0.23 0.00 5.04 0.80 -1.00 117.35 126.64 2j27 s TYR 166 Ca 0.03 0.66 -0.09 0.00 -2.44 0.00 0.00 57.07 55.22 2j27 s TYR 166 Cb -0.17 -3.22 -0.04 0.00 0.35 0.00 0.00 41.96 38.87 2j27 s TYR 166 CO 0.02 -0.60 0.12 -1.21 -1.34 0.00 0.00 175.55 172.54 2j27 s GLU 167 N 2.91 3.97 -0.91 4.97 2.02 0.74 -0.82 118.70 131.59 2j27 s GLU 167 Ca 0.30 -0.33 -0.25 0.00 0.02 0.00 0.00 54.97 54.72 2j27 s GLU 167 Cb -0.14 -3.44 0.04 0.00 0.10 0.00 0.00 34.13 30.69 2j27 s GLU 167 CO 0.14 0.05 1.40 0.00 0.02 0.00 0.00 175.26 176.86 2j27 s ALA 168 N 1.04 2.71 0.38 5.21 0.00 -0.20 -3.48 121.76 127.42 2j27 s ALA 168 Ca 0.06 -1.91 0.06 0.00 0.00 0.00 0.00 51.96 50.17 2j27 s ALA 168 Cb -0.14 -4.43 0.75 0.00 0.00 0.00 0.00 23.12 19.30 2j27 s ALA 168 CO 0.04 -3.51 1.98 0.28 0.00 0.00 0.00 175.76 174.55 2j27 h VAL 169 N 6.52 1.15 0.00 0.00 2.07 -1.74 0.24 116.25 124.49 2j27 h VAL 169 Ca 0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2j27 h VAL 169 Cb 1.03 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2j27 h VAL 169 CO 1.37 0.17 0.00 -2.67 0.02 0.00 0.00 177.57 176.46 2j27 n TRP 170 N -4.39 0.13 1.16 1.57 4.27 -1.25 -1.78 117.44 117.14 2j27 n TRP 170 Ca 0.02 0.05 0.12 0.00 -3.89 0.00 0.00 57.50 53.81 2j27 n TRP 170 Cb 0.14 -0.59 0.29 0.00 -1.36 0.00 0.00 31.31 29.79 2j27 n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j27 n ALA 171 N -1.54 3.28 -2.57 -1.67 0.00 0.07 -4.68 120.51 113.40 2j27 n ALA 171 Ca 0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 2j27 n ALA 171 Cb 0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2j27 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j27 s ILE 172 N -2.61 4.55 -0.03 0.00 1.01 -0.73 -3.90 121.20 119.49 2j27 s ILE 172 Ca 0.21 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2j27 s ILE 172 Cb 0.19 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2j27 s ILE 172 CO 0.57 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2j27 n GLY 173 N 4.78 0.47 0.07 6.18 0.00 -1.26 -4.90 105.19 110.53 2j27 n GLY 173 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2j27 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j27 n THR 174 N -2.95 0.00 -1.11 2.61 -2.24 -1.25 -5.00 114.28 104.34 2j27 n THR 174 Ca -0.00 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 2j27 n THR 174 Cb 0.03 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 2j27 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j27 n GLY 175 N 0.10 0.67 3.69 3.38 0.00 -1.26 -5.04 105.19 106.72 2j27 n GLY 175 Ca 0.01 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2j27 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j27 s LYS 176 N -2.06 2.34 -0.09 1.61 1.02 -1.26 -5.15 119.74 116.14 2j27 s LYS 176 Ca 0.00 -1.48 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 2j27 s LYS 176 Cb 0.00 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 2j27 s LYS 176 CO 0.00 0.25 0.39 0.54 -0.92 0.00 0.00 175.35 175.61 2j27 s VAL 177 N -2.37 0.02 0.38 3.17 0.11 -1.26 -4.57 120.40 115.87 2j27 s VAL 177 Ca 0.34 -0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 58.93 2j27 s VAL 177 Cb -0.04 -0.62 -0.11 0.00 -1.53 0.00 0.00 36.38 34.08 2j27 s VAL 177 CO 0.21 -0.10 1.45 0.00 -3.33 0.00 0.00 175.10 173.33 2j27 s ALA 178 N -0.47 3.53 0.75 1.54 0.00 -1.26 -5.00 121.76 120.85 2j27 s ALA 178 Ca -0.06 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 2j27 s ALA 178 Cb -0.04 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.55 2j27 s ALA 178 CO 0.03 -0.99 1.08 0.95 0.00 0.00 0.00 175.76 176.83 2j27 s THR 179 N -1.13 3.50 0.32 0.00 -4.23 -1.26 -4.79 115.64 108.04 2j27 s THR 179 Ca 0.53 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2j27 s THR 179 Cb -0.45 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.66 2j27 s THR 179 CO 0.61 -0.64 1.87 -0.65 -0.54 0.00 0.00 174.62 175.27 2j27 h PRO 180 N -1.03 0.82 -0.47 3.99 0.11 -1.94 0.07 132.00 133.55 2j27 h PRO 180 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2j27 h PRO 180 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2j27 h PRO 180 CO 0.53 0.54 -0.20 1.96 -0.21 0.00 0.00 178.00 180.62 2j27 h GLN 181 N 0.85 0.95 -0.40 1.05 7.50 -1.96 0.05 115.11 123.15 2j27 h GLN 181 Ca 0.45 -0.39 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 2j27 h GLN 181 Cb 0.54 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 2j27 h GLN 181 CO -0.21 1.05 0.15 1.96 -1.50 0.00 0.00 178.83 180.28 2j27 h GLN 182 N 0.82 0.60 -0.28 1.46 4.20 -1.63 0.10 115.11 120.38 2j27 h GLN 182 Ca 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2j27 h GLN 182 Cb 0.76 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2j27 h GLN 182 CO 0.06 0.57 0.11 0.00 -0.67 0.00 0.00 178.83 178.91 2j27 h ALA 183 N 1.00 0.36 -0.50 3.87 0.00 -0.87 -1.86 119.26 121.26 2j27 h ALA 183 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2j27 h ALA 183 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2j27 h ALA 183 CO -0.01 -0.04 0.26 0.37 0.00 0.00 0.00 179.25 179.83 2j27 h GLN 184 N 0.30 0.49 -0.46 0.00 5.75 -0.86 -0.29 115.11 120.04 2j27 h GLN 184 Ca 0.09 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 2j27 h GLN 184 Cb 0.18 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2j27 h GLN 184 CO -0.01 0.32 -0.14 1.49 -2.65 0.00 0.00 178.83 177.84 2j27 h GLU 185 N 0.50 0.86 -0.19 1.69 4.81 -0.83 0.14 114.58 121.57 2j27 h GLU 185 Ca 0.22 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2j27 h GLU 185 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2j27 h GLU 185 CO -0.15 0.95 -0.01 0.00 -0.73 0.00 0.00 179.01 179.07 2j27 h ALA 186 N 1.07 0.26 -0.78 2.92 0.00 -0.99 -1.49 119.26 120.25 2j27 h ALA 186 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2j27 h ALA 186 Cb 0.66 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2j27 h ALA 186 CO 0.05 -0.01 0.41 0.45 0.00 0.00 0.00 179.25 180.14 2j27 h HIS 187 N 0.09 1.08 -0.56 0.00 3.86 -0.87 -1.83 115.15 116.92 2j27 h HIS 187 Ca 0.05 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 2j27 h HIS 187 Cb 0.41 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 2j27 h HIS 187 CO 0.04 0.77 0.06 0.00 0.86 0.00 0.00 177.93 179.66 2j27 h ALA 188 N 1.21 1.05 -0.04 2.45 0.00 -0.65 0.03 119.26 123.31 2j27 h ALA 188 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2j27 h ALA 188 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2j27 h ALA 188 CO -0.04 0.60 0.03 1.25 0.00 0.00 0.00 179.25 181.09 2j27 h LEU 189 N 0.86 0.05 -0.37 0.00 5.85 -1.00 -0.08 115.31 120.61 2j27 h LEU 189 Ca 0.17 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2j27 h LEU 189 Cb 0.42 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2j27 h LEU 189 CO 0.01 0.05 0.14 0.40 -0.34 0.00 0.00 178.44 178.71 2j27 h ILE 190 N 0.05 0.91 -0.55 4.05 2.04 -1.03 -0.94 117.51 122.03 2j27 h ILE 190 Ca 0.02 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2j27 h ILE 190 Cb 0.01 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2j27 h ILE 190 CO -0.00 0.06 0.05 -0.09 0.00 0.00 0.00 178.15 178.17 2j27 h ARG 191 N 0.30 0.94 -0.66 2.37 2.43 -0.81 -0.98 114.38 117.97 2j27 h ARG 191 Ca 0.17 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 2j27 h ARG 191 Cb 0.13 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2j27 h ARG 191 CO -0.16 0.92 0.15 0.77 -1.51 0.00 0.00 179.97 180.14 2j27 h SER 192 N 0.82 0.99 -0.37 -3.80 0.02 -0.76 0.12 113.55 110.58 2j27 h SER 192 Ca 0.16 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2j27 h SER 192 Cb 0.46 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2j27 h SER 192 CO 0.02 0.96 0.23 -0.25 -1.14 0.00 0.00 176.83 176.65 2j27 h TRP 193 N 1.00 0.44 -0.74 3.45 7.01 -0.80 -1.41 115.95 124.91 2j27 h TRP 193 Ca 0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2j27 h TRP 193 Cb 0.36 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 2j27 h TRP 193 CO 0.03 0.27 0.40 0.28 -2.79 0.00 0.00 178.44 176.63 2j27 h VAL 194 N 0.48 1.22 -0.47 2.65 2.07 -0.77 -0.42 116.25 121.01 2j27 h VAL 194 Ca 0.14 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2j27 h VAL 194 Cb -0.04 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2j27 h VAL 194 CO -0.04 0.25 0.27 -1.28 0.02 0.00 0.00 177.57 176.79 2j27 h SER 195 N 1.02 0.43 0.75 0.57 0.87 -0.38 0.17 113.55 116.98 2j27 h SER 195 Ca 0.26 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.65 2j27 h SER 195 Cb 0.04 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2j27 h SER 195 CO -0.04 0.30 -0.83 0.28 -0.53 0.00 0.00 176.83 176.01 2j27 h SER 196 N 0.54 0.07 0.11 6.23 0.02 -0.99 -2.52 113.55 117.00 2j27 h SER 196 Ca 0.19 -0.05 -0.37 0.00 -0.84 0.00 0.00 61.79 60.72 2j27 h SER 196 Cb 0.03 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2j27 h SER 196 CO -0.10 0.86 -2.16 1.17 -1.14 0.00 0.00 176.83 175.47 2j27 n LYS 197 N -3.59 0.71 -0.09 3.45 3.00 -0.19 -4.74 118.16 116.71 2j27 n LYS 197 Ca -0.01 0.21 -0.19 0.00 -0.00 0.00 0.00 58.31 58.32 2j27 n LYS 197 Cb 0.79 -1.64 -0.06 0.00 0.00 0.00 0.00 35.03 34.11 2j27 n LYS 197 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2j27 n ILE 198 N -3.34 1.10 0.00 3.15 2.08 0.51 -5.08 119.36 117.79 2j27 n ILE 198 Ca -0.36 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 62.73 2j27 n ILE 198 Cb 1.03 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 2j27 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2j27 n GLY 199 N 1.81 3.94 0.33 7.39 0.00 -0.66 -4.92 105.19 113.08 2j27 n GLY 199 Ca -0.36 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.03 2j27 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j27 h ALA 200 N 0.00 1.46 -0.01 4.61 0.00 -1.82 -0.99 119.26 122.51 2j27 h ALA 200 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2j27 h ALA 200 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2j27 h ALA 200 CO 0.00 0.45 0.00 0.38 0.00 0.00 0.00 179.25 180.09 2j27 h ASP 201 N 0.84 0.02 -0.37 0.00 2.03 -1.94 -1.37 116.42 115.64 2j27 h ASP 201 Ca 0.22 -0.28 0.04 0.00 -0.73 0.00 0.00 57.03 56.28 2j27 h ASP 201 Cb 0.00 -0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 2j27 h ASP 201 CO -0.04 0.29 0.14 0.58 -1.03 0.00 0.00 179.24 179.19 2j27 h VAL 202 N -0.25 0.91 -0.80 4.15 2.07 -1.88 -2.73 116.25 117.73 2j27 h VAL 202 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2j27 h VAL 202 Cb 0.28 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2j27 h VAL 202 CO 0.00 0.05 0.42 0.00 0.02 0.00 0.00 177.57 178.06 2j27 h ALA 203 N 1.23 1.24 0.00 1.67 0.00 -1.04 -1.23 119.26 121.12 2j27 h ALA 203 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2j27 h ALA 203 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2j27 h ALA 203 CO -0.16 0.61 -0.37 0.78 0.00 0.00 0.00 179.25 180.11 2j27 h GLY 204 N 1.15 0.00 0.95 0.00 0.00 -1.02 -3.08 103.07 101.06 2j27 h GLY 204 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2j27 h GLY 204 CO -0.04 0.00 -0.91 1.18 0.00 0.00 0.00 176.54 176.76 2j27 n GLU 205 N -4.01 0.45 -2.14 4.80 -0.58 -0.89 -4.55 120.64 113.73 2j27 n GLU 205 Ca -0.02 0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 2j27 n GLU 205 Cb 0.41 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 2j27 n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2j27 s LEU 206 N -4.73 4.38 -0.08 -4.62 2.96 -0.52 -4.83 118.68 111.25 2j27 s LEU 206 Ca 0.02 2.39 -0.26 0.00 -0.22 0.00 0.00 54.13 56.06 2j27 s LEU 206 Cb 0.12 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 2j27 s LEU 206 CO 0.77 -0.65 0.84 -0.13 -1.32 0.00 0.00 176.35 175.86 2j27 s ARG 207 N 0.81 4.43 -0.20 1.98 3.00 -1.26 -4.93 118.95 122.78 2j27 s ARG 207 Ca 0.64 1.11 0.02 0.00 0.00 0.00 0.00 55.73 57.49 2j27 s ARG 207 Cb -0.38 -3.49 0.03 0.00 0.00 0.00 0.00 34.95 31.11 2j27 s ARG 207 CO 0.32 -0.10 -0.17 0.42 0.00 0.00 0.00 175.30 175.77 2j27 s ILE 208 N 1.32 2.09 -0.02 1.52 1.01 -1.26 -1.32 121.20 124.54 2j27 s ILE 208 Ca 0.43 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2j27 s ILE 208 Cb -0.18 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2j27 s ILE 208 CO 0.19 0.38 0.11 -0.76 0.00 0.00 0.00 174.94 174.86 2j27 s LEU 209 N 1.24 4.05 -0.08 2.97 1.43 0.41 -0.90 118.68 127.80 2j27 s LEU 209 Ca 0.01 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 2j27 s LEU 209 Cb -0.15 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2j27 s LEU 209 CO -0.11 0.29 0.22 -0.47 0.23 0.00 0.00 176.35 176.51 2j27 s TYR 210 N -1.20 3.63 0.02 0.29 5.04 -0.53 -0.14 117.35 124.47 2j27 s TYR 210 Ca 0.23 0.66 0.03 0.00 -2.44 0.00 0.00 57.07 55.55 2j27 s TYR 210 Cb -0.12 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 2j27 s TYR 210 CO 0.14 0.71 -0.11 0.20 -1.34 0.00 0.00 175.55 175.15 2j27 s GLY 211 N -1.09 0.58 0.00 8.97 0.00 -0.00 -1.30 107.32 114.48 2j27 s GLY 211 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2j27 s GLY 211 CO 0.07 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.18 2j27 n GLY 212 N 2.19 1.07 2.31 0.20 0.00 -1.26 -1.04 105.19 108.66 2j27 n GLY 212 Ca -0.17 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2j27 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j27 n SER 213 N 0.00 -4.41 -4.75 1.61 7.64 -1.25 -4.40 113.62 108.05 2j27 n SER 213 Ca 0.00 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 2j27 n SER 213 Cb 0.00 -3.45 -0.02 0.00 -1.01 0.00 0.00 64.21 59.73 2j27 n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2j27 s VAL 214 N -2.65 2.03 0.31 0.44 1.01 -1.26 -4.97 120.40 115.31 2j27 s VAL 214 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2j27 s VAL 214 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2j27 s VAL 214 CO 0.00 0.00 0.34 0.54 0.00 0.00 0.00 175.10 175.98 2j27 s ASN 215 N 0.57 1.07 0.46 3.32 2.20 -1.26 -4.46 114.94 116.83 2j27 s ASN 215 Ca 0.65 -1.56 0.13 0.00 -0.94 0.00 0.00 52.86 51.13 2j27 s ASN 215 Cb -0.48 0.57 1.03 0.00 -2.00 0.00 0.00 41.25 40.37 2j27 s ASN 215 CO 0.47 -1.12 2.05 1.23 -2.94 0.00 0.00 177.10 176.79 2j27 h GLY 216 N 2.21 0.16 1.46 0.45 0.00 -1.93 -2.21 103.07 103.21 2j27 h GLY 216 Ca -0.28 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 46.70 2j27 h GLY 216 CO 0.40 0.07 -1.17 0.50 0.00 0.00 0.00 176.54 176.34 2j27 h LYS 217 N 0.15 0.45 -0.01 4.80 1.57 -1.95 -3.36 116.57 118.21 2j27 h LYS 217 Ca 0.04 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2j27 h LYS 217 Cb 0.14 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2j27 h LYS 217 CO 0.00 1.25 -0.57 0.27 -0.57 0.00 0.00 179.45 179.83 2j27 n ASN 218 N -3.69 1.58 -0.17 0.86 0.23 -1.11 -4.57 115.26 108.39 2j27 n ASN 218 Ca -0.10 -1.25 -0.10 0.00 -0.53 0.00 0.00 54.58 52.61 2j27 n ASN 218 Cb 0.96 0.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.21 2j27 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j27 h ALA 219 N 3.60 0.64 -0.65 -2.53 0.00 -1.55 -2.77 119.26 116.01 2j27 h ALA 219 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2j27 h ALA 219 Cb 0.65 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2j27 h ALA 219 CO 0.00 0.41 0.14 -0.09 0.00 0.00 0.00 179.25 179.71 2j27 h ARG 220 N 0.69 1.06 0.00 0.00 9.65 -1.82 0.10 114.38 124.06 2j27 h ARG 220 Ca 0.14 -0.27 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 2j27 h ARG 220 Cb 0.45 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2j27 h ARG 220 CO 0.02 0.96 -0.21 1.15 2.80 0.00 0.00 179.97 184.69 2j27 h THR 221 N 0.98 0.90 0.08 0.20 2.02 -1.83 -1.32 112.91 113.94 2j27 h THR 221 Ca 0.20 -0.80 -0.21 0.00 0.77 0.00 0.00 66.41 66.38 2j27 h THR 221 Cb 0.39 1.46 0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2j27 h THR 221 CO 0.01 0.21 -0.86 -0.07 0.37 0.00 0.00 175.52 175.17 2j27 h LEU 222 N 0.00 0.61 -1.65 2.58 3.38 -1.11 -3.35 115.31 115.77 2j27 h LEU 222 Ca -0.00 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 2j27 h LEU 222 Cb 0.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2j27 h LEU 222 CO 0.03 1.40 0.01 0.22 0.09 0.00 0.00 178.44 180.18 2j27 h TYR 223 N -0.09 0.23 0.00 1.13 3.20 -0.19 -2.44 116.97 118.81 2j27 h TYR 223 Ca -0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2j27 h TYR 223 Cb 1.60 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.80 2j27 h TYR 223 CO 0.16 0.23 0.00 0.00 -1.64 0.00 0.00 178.16 176.91 2j27 n GLN 224 N -4.41 0.44 -2.21 1.82 10.64 -0.56 -4.67 117.38 118.44 2j27 n GLN 224 Ca -0.01 0.05 -0.36 0.00 -1.83 0.00 0.00 57.00 54.86 2j27 n GLN 224 Cb 0.16 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.04 2j27 n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2j27 s GLN 225 N -2.40 3.35 0.27 2.61 -1.52 -0.92 -4.93 119.66 116.11 2j27 s GLN 225 Ca 0.25 1.69 -0.01 0.00 -1.95 0.00 0.00 55.36 55.34 2j27 s GLN 225 Cb 0.15 -2.06 0.49 0.00 -0.22 0.00 0.00 33.01 31.37 2j27 s GLN 225 CO 0.32 -0.87 1.83 -0.09 -0.25 0.00 0.00 175.29 176.23 2j27 h ARG 226 N 1.28 0.92 -0.37 2.91 2.43 -1.90 -2.86 114.38 116.80 2j27 h ARG 226 Ca -0.50 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2j27 h ARG 226 Cb 1.27 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2j27 h ARG 226 CO 0.57 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 179.39 2j27 n ASP 227 N -4.65 3.72 -4.67 -3.80 8.00 -1.26 -4.92 116.55 108.98 2j27 n ASP 227 Ca 0.17 -2.54 -0.38 0.00 0.71 0.00 0.00 54.79 52.75 2j27 n ASP 227 Cb 0.31 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2j27 n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2j27 s VAL 228 N -1.98 5.19 -0.24 2.53 1.01 -1.08 -4.66 120.40 121.18 2j27 s VAL 228 Ca 0.37 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.23 2j27 s VAL 228 Cb 0.26 -3.74 0.39 0.00 0.00 0.00 0.00 36.38 33.28 2j27 s VAL 228 CO 0.14 0.24 1.28 0.59 0.00 0.00 0.00 175.10 177.35 2j27 n ASN 229 N 4.56 3.14 0.00 3.32 4.13 -0.08 -4.85 115.26 125.48 2j27 n ASN 229 Ca -0.08 -2.84 0.00 0.00 1.68 0.00 0.00 54.58 53.34 2j27 n ASN 229 Cb 0.51 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 2j27 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j27 n GLY 230 N -0.69 0.81 3.04 7.41 0.00 -1.26 -1.54 105.19 112.97 2j27 n GLY 230 Ca 0.17 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2j27 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j27 s PHE 231 N -1.82 0.03 -0.35 1.61 0.08 -0.52 -1.45 117.98 115.56 2j27 s PHE 231 Ca 0.00 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 2j27 s PHE 231 Cb 0.00 -0.05 0.02 0.00 -0.57 0.00 0.00 43.02 42.42 2j27 s PHE 231 CO 0.00 -0.19 0.17 -1.17 -0.10 0.00 0.00 175.22 173.93 2j27 s LEU 232 N -0.92 4.45 -0.18 -0.37 2.96 -0.42 -0.87 118.68 123.33 2j27 s LEU 232 Ca -0.10 -0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 52.94 2j27 s LEU 232 Cb -0.06 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 2j27 s LEU 232 CO 0.01 -0.31 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.93 2j27 s VAL 233 N 1.55 3.03 0.00 1.68 1.01 0.66 -4.18 120.40 124.16 2j27 s VAL 233 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2j27 s VAL 233 Cb -0.18 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2j27 s VAL 233 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2j27 n GLY 234 N 4.28 0.52 0.35 4.51 0.00 -1.26 -0.23 105.19 113.35 2j27 n GLY 234 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2j27 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j27 h GLY 235 N 0.00 1.43 2.00 -0.02 0.00 -1.91 -0.54 103.07 104.03 2j27 h GLY 235 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2j27 h GLY 235 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.83 2j27 n ALA 236 N -2.36 1.73 1.15 3.60 0.00 -1.26 -2.48 120.51 120.89 2j27 n ALA 236 Ca 0.14 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2j27 n ALA 236 Cb 0.19 -1.36 0.63 0.00 0.00 0.00 0.00 19.45 18.92 2j27 n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j27 n SER 237 N -2.03 0.00 -1.15 0.00 3.41 -0.21 -2.15 113.62 111.49 2j27 n SER 237 Ca 0.03 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.79 2j27 n SER 237 Cb 0.23 -0.34 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 2j27 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j27 n LEU 238 N -1.34 3.36 -4.27 1.04 4.77 -1.04 -4.90 117.00 114.62 2j27 n LEU 238 Ca 0.11 -1.69 -0.18 0.00 -0.03 0.00 0.00 56.01 54.22 2j27 n LEU 238 Cb 0.24 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 2j27 n LEU 238 CO 0.21 0.71 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.99 2j27 s LYS 239 N -1.49 1.12 0.49 3.23 1.02 -0.91 -5.03 119.74 118.18 2j27 s LYS 239 Ca 0.38 -1.36 0.22 0.00 0.02 0.00 0.00 55.97 55.24 2j27 s LYS 239 Cb 0.22 -0.96 1.28 0.00 -0.52 0.00 0.00 37.83 37.85 2j27 s LYS 239 CO 0.23 0.17 1.96 -1.35 -0.92 0.00 0.00 175.35 175.44 2j27 h PRO 240 N 3.19 0.15 0.00 -1.68 0.11 -1.92 -2.07 132.00 129.78 2j27 h PRO 240 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2j27 h PRO 240 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2j27 h PRO 240 CO 0.55 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 2j27 n GLU 241 N -4.41 0.21 -0.26 1.05 0.28 -1.26 -1.81 120.64 114.44 2j27 n GLU 241 Ca 0.12 0.14 0.16 0.00 -0.16 0.00 0.00 57.16 57.43 2j27 n GLU 241 Cb 0.61 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.43 2j27 n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2j27 h PHE 242 N 0.00 0.69 -0.12 -1.84 3.57 -1.41 0.98 116.94 118.81 2j27 h PHE 242 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2j27 h PHE 242 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2j27 h PHE 242 CO 0.00 0.20 -0.08 -0.39 -2.23 0.00 0.00 178.31 175.81 2j27 h VAL 243 N 0.54 1.13 -0.09 1.41 -1.51 -1.60 -1.20 116.25 114.93 2j27 h VAL 243 Ca 0.47 -0.56 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 2j27 h VAL 243 Cb 0.98 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2j27 h VAL 243 CO -0.21 0.18 -0.44 0.44 -1.23 0.00 0.00 177.57 176.31 2j27 h ASP 244 N 0.17 0.21 -0.37 4.19 3.32 -1.01 -1.63 116.42 121.30 2j27 h ASP 244 Ca 0.04 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2j27 h ASP 244 Cb 0.26 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2j27 h ASP 244 CO 0.01 0.63 0.02 0.40 -1.72 0.00 0.00 179.24 178.58 2j27 h ILE 245 N 0.17 1.25 -0.41 0.35 2.04 -0.91 -1.16 117.51 118.84 2j27 h ILE 245 Ca 0.01 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 64.98 2j27 h ILE 245 Cb 0.85 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2j27 h ILE 245 CO 0.07 0.32 0.08 0.40 0.00 0.00 0.00 178.15 179.02 2j27 h ILE 246 N 0.47 0.79 0.00 -0.67 2.04 -1.02 -2.32 117.51 116.80 2j27 h ILE 246 Ca 0.11 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2j27 h ILE 246 Cb 0.44 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2j27 h ILE 246 CO 0.02 0.04 -0.17 0.11 0.00 0.00 0.00 178.15 178.15 2j27 h LYS 247 N 0.21 0.00 0.00 2.37 1.57 -0.99 -1.84 116.57 117.89 2j27 h LYS 247 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2j27 h LYS 247 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2j27 h LYS 247 CO -0.26 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 178.79 2j27 n ALA 248 N -2.47 1.53 -0.06 3.86 0.00 -0.47 -2.55 120.51 120.36 2j27 n ALA 248 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2j27 n ALA 248 Cb 0.24 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 18.79 2j27 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j27 n THR 249 N -1.45 1.33 0.89 0.00 -2.24 -0.69 -4.63 114.28 107.48 2j27 n THR 249 Ca 0.03 -0.88 0.07 0.00 -2.27 0.00 0.00 64.05 61.00 2j27 n THR 249 Cb 0.12 0.06 0.42 0.00 -2.10 0.00 0.00 70.33 68.83 2j27 n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50