#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml1 s LYS 3 N 0.00 4.02 1.12 4.33 1.02 -1.26 -5.06 119.74 123.90 1ml1 s LYS 3 Ca 0.00 0.57 -0.15 0.00 0.02 0.00 0.00 55.97 56.41 1ml1 s LYS 3 Cb 0.00 -2.78 0.25 0.00 -0.52 0.00 0.00 37.83 34.77 1ml1 s LYS 3 CO 0.00 0.38 1.08 -2.14 -0.92 0.00 0.00 175.35 173.74 1ml1 s PRO 4 N -2.29 -0.53 0.16 -1.68 0.02 -1.26 -4.89 135.00 124.52 1ml1 s PRO 4 Ca 0.43 0.35 -0.33 0.00 0.02 0.00 0.00 61.00 61.47 1ml1 s PRO 4 Cb -0.14 -1.64 -0.13 0.00 0.02 0.00 0.00 34.50 32.61 1ml1 s PRO 4 CO 0.20 -3.34 1.68 0.94 -0.33 0.00 0.00 177.00 176.15 1ml1 n GLN 5 N -4.57 2.46 -1.86 5.54 7.27 -1.26 -4.95 117.38 119.99 1ml1 n GLN 5 Ca 0.07 0.89 -0.31 0.00 0.07 0.00 0.00 57.00 57.72 1ml1 n GLN 5 Cb 0.58 -2.71 0.02 0.00 2.41 0.00 0.00 30.24 30.54 1ml1 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ml1 s PRO 6 N 1.46 3.36 -0.04 3.69 0.04 -1.26 -4.89 135.00 137.37 1ml1 s PRO 6 Ca 0.79 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1ml1 s PRO 6 Cb -0.59 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1ml1 s PRO 6 CO 0.37 -0.76 -0.14 0.42 0.04 0.00 0.00 177.00 176.93 1ml1 s ILE 7 N -2.94 1.20 -0.34 0.56 1.01 -1.00 -1.16 121.20 118.53 1ml1 s ILE 7 Ca 0.58 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1ml1 s ILE 7 Cb -0.13 -1.04 0.10 0.00 0.01 0.00 0.00 42.46 41.40 1ml1 s ILE 7 CO 0.48 0.35 0.07 0.00 0.00 0.00 0.00 174.94 175.85 1ml1 s ALA 8 N 0.18 2.53 -0.15 9.38 0.00 -0.45 -2.04 121.76 131.21 1ml1 s ALA 8 Ca -0.05 -2.32 -0.07 0.00 0.00 0.00 0.00 51.96 49.52 1ml1 s ALA 8 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1ml1 s ALA 8 CO 0.02 -1.69 0.11 0.00 0.00 0.00 0.00 175.76 174.19 1ml1 s ALA 9 N 1.07 3.67 -0.12 0.00 0.00 -0.32 -1.55 121.76 124.50 1ml1 s ALA 9 Ca 0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1ml1 s ALA 9 Cb -0.19 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1ml1 s ALA 9 CO -0.12 0.43 0.07 0.00 0.00 0.00 0.00 175.76 176.13 1ml1 s ALA 10 N -0.43 3.54 -0.59 0.00 0.00 0.19 -0.27 121.76 124.20 1ml1 s ALA 10 Ca 0.11 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1ml1 s ALA 10 Cb -0.12 -1.76 0.15 0.00 0.00 0.00 0.00 23.12 21.39 1ml1 s ALA 10 CO 0.02 0.52 0.35 1.21 0.00 0.00 0.00 175.76 177.86 1ml1 s ASN 11 N -0.69 4.60 -0.88 0.00 2.47 0.15 0.06 114.94 120.65 1ml1 s ASN 11 Ca 0.12 -3.23 -0.25 0.00 0.42 0.00 0.00 52.86 49.92 1ml1 s ASN 11 Cb -0.12 -1.67 -0.01 0.00 -1.45 0.00 0.00 41.25 38.00 1ml1 s ASN 11 CO 0.02 -0.21 1.75 0.26 -3.72 0.00 0.00 177.10 175.20 1ml1 s TRP 12 N -0.59 2.02 -0.39 0.43 0.51 -0.10 -4.47 118.94 116.35 1ml1 s TRP 12 Ca 0.19 0.19 0.23 0.00 -2.12 0.00 0.00 56.10 54.60 1ml1 s TRP 12 Cb -0.20 -4.28 0.25 0.00 -0.81 0.00 0.00 33.47 28.44 1ml1 s TRP 12 CO -0.05 -1.91 1.46 0.87 -0.51 0.00 0.00 176.95 176.82 1ml1 h LYS 13 N 11.31 0.00 0.00 4.98 1.79 -1.89 -3.41 116.57 129.36 1ml1 h LYS 13 Ca 0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1ml1 h LYS 13 Cb 1.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1ml1 h LYS 13 CO 1.28 0.00 0.04 -1.13 -1.08 0.00 0.00 179.45 178.56 1ml1 n SER 15 N -2.98 -0.54 0.00 0.86 3.41 -1.26 -5.07 113.62 108.04 1ml1 n SER 15 Ca 0.03 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1ml1 n SER 15 Cb 0.53 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1ml1 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ml1 n GLY 16 N -0.14 3.08 3.81 5.00 0.00 -1.26 -5.06 105.19 110.61 1ml1 n GLY 16 Ca -0.02 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1ml1 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ml1 s SER 17 N 0.00 5.75 0.30 1.61 1.04 -1.26 -5.00 113.70 116.15 1ml1 s SER 17 Ca 0.00 0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.61 1ml1 s SER 17 Cb 0.00 -1.64 0.80 0.00 0.10 0.00 0.00 66.02 65.28 1ml1 s SER 17 CO 0.00 0.22 1.73 1.55 0.98 0.00 0.00 173.24 177.72 1ml1 h PRO 18 N 3.64 0.55 -0.01 4.02 0.13 -1.98 -0.12 132.00 138.23 1ml1 h PRO 18 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ml1 h PRO 18 Cb 1.17 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ml1 h PRO 18 CO 0.66 0.36 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.34 1ml1 h ASP 19 N 0.57 0.02 -0.83 1.44 3.32 -1.99 -1.68 116.42 117.26 1ml1 h ASP 19 Ca 0.60 -0.53 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ml1 h ASP 19 Cb 1.09 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 1ml1 h ASP 19 CO -0.47 0.55 0.54 -1.28 -1.72 0.00 0.00 179.24 176.86 1ml1 h SER 20 N -0.51 0.90 -0.61 6.45 0.87 -1.85 -2.52 113.55 116.28 1ml1 h SER 20 Ca 0.00 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1ml1 h SER 20 Cb 0.54 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1ml1 h SER 20 CO 0.00 0.63 0.13 -0.07 -0.53 0.00 0.00 176.83 176.99 1ml1 h LEU 21 N 1.06 0.97 -1.50 2.23 3.38 -1.02 -2.34 115.31 118.10 1ml1 h LEU 21 Ca 0.32 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ml1 h LEU 21 Cb -0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1ml1 h LEU 21 CO -0.10 0.96 -0.16 0.77 0.09 0.00 0.00 178.44 179.99 1ml1 h SER 22 N 0.97 0.00 -0.44 -0.43 4.64 -0.88 -1.34 113.55 116.07 1ml1 h SER 22 Ca 0.20 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 1ml1 h SER 22 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1ml1 h SER 22 CO 0.01 0.16 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.56 1ml1 h GLU 23 N 0.00 0.94 -0.13 4.77 5.08 -1.10 -2.03 114.58 122.11 1ml1 h GLU 23 Ca -0.00 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ml1 h GLU 23 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ml1 h GLU 23 CO 0.02 1.09 0.07 -0.07 -1.00 0.00 0.00 179.01 179.12 1ml1 h LEU 24 N 0.78 0.16 -1.55 1.33 3.38 -1.08 -2.03 115.31 116.30 1ml1 h LEU 24 Ca 0.09 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1ml1 h LEU 24 Cb 0.83 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1ml1 h LEU 24 CO 0.07 0.20 0.43 0.40 0.09 0.00 0.00 178.44 179.64 1ml1 h ILE 25 N 0.11 0.92 -0.22 1.22 2.04 -1.20 0.28 117.51 120.66 1ml1 h ILE 25 Ca 0.04 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1ml1 h ILE 25 Cb 0.08 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1ml1 h ILE 25 CO -0.01 0.09 -0.10 0.44 0.00 0.00 0.00 178.15 178.58 1ml1 h ASP 26 N 0.51 0.47 -0.25 1.72 3.32 -0.92 -0.68 116.42 120.59 1ml1 h ASP 26 Ca 0.30 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1ml1 h ASP 26 Cb 0.49 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1ml1 h ASP 26 CO -0.09 0.76 0.08 0.25 -1.72 0.00 0.00 179.24 178.52 1ml1 h LEU 27 N 0.17 0.09 -0.04 1.55 6.46 -0.64 -2.04 115.31 120.86 1ml1 h LEU 27 Ca 0.05 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1ml1 h LEU 27 Cb 0.58 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1ml1 h LEU 27 CO 0.03 0.08 0.03 -0.26 -0.62 0.00 0.00 178.44 177.70 1ml1 h PHE 28 N 0.19 0.06 -0.31 1.25 0.04 -0.89 -2.46 116.94 114.82 1ml1 h PHE 28 Ca 0.11 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.97 1ml1 h PHE 28 Cb 0.08 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1ml1 h PHE 28 CO -0.13 0.07 0.24 -0.91 -0.60 0.00 0.00 178.31 176.98 1ml1 h ASN 29 N 0.03 0.00 -0.60 2.17 2.35 -0.89 -0.55 115.58 118.09 1ml1 h ASN 29 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ml1 h ASN 29 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ml1 h ASN 29 CO -0.00 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.24 1ml1 n SER 30 N -4.33 4.97 -4.45 5.81 3.41 -0.79 -4.68 113.62 113.57 1ml1 n SER 30 Ca 0.04 -2.61 -0.36 0.00 -0.26 0.00 0.00 58.87 55.69 1ml1 n SER 30 Cb 0.40 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.61 1ml1 n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ml1 s THR 31 N -2.17 4.14 -0.14 6.66 2.01 -0.22 -5.04 115.64 120.87 1ml1 s THR 31 Ca 0.50 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1ml1 s THR 31 Cb 0.35 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1ml1 s THR 31 CO 0.20 0.38 0.55 -0.94 -0.69 0.00 0.00 174.62 174.13 1ml1 s SER 32 N 1.33 6.71 -0.27 3.53 1.04 -1.26 -5.02 113.70 119.76 1ml1 s SER 32 Ca 0.05 0.85 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1ml1 s SER 32 Cb -0.15 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1ml1 s SER 32 CO 0.02 -0.11 0.02 -0.63 0.98 0.00 0.00 173.24 173.52 1ml1 s ILE 33 N 1.13 3.58 -0.30 -1.02 1.01 -1.26 -5.00 121.20 119.34 1ml1 s ILE 33 Ca 0.28 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ml1 s ILE 33 Cb -0.16 -2.79 0.35 0.00 0.01 0.00 0.00 42.46 39.87 1ml1 s ILE 33 CO 0.11 0.19 1.40 0.59 0.00 0.00 0.00 174.94 177.23 1ml1 n ASN 34 N 4.80 3.39 -3.82 3.58 3.02 -1.26 -4.87 115.26 120.10 1ml1 n ASN 34 Ca -0.16 -2.75 -0.10 0.00 -0.03 0.00 0.00 54.58 51.55 1ml1 n ASN 34 Cb 0.48 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1ml1 n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1ml1 s HIS 35 N -1.71 0.10 -0.42 3.10 -3.43 -1.26 -5.12 115.29 106.54 1ml1 s HIS 35 Ca 0.29 -0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 53.80 1ml1 s HIS 35 Cb 0.24 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 31.53 1ml1 s HIS 35 CO 0.06 -0.73 1.12 0.34 -2.00 0.00 0.00 174.74 173.53 1ml1 s ASP 36 N -2.89 6.73 -0.15 7.38 2.15 -1.26 -4.99 116.67 123.64 1ml1 s ASP 36 Ca 0.10 0.67 -0.16 0.00 0.43 0.00 0.00 52.55 53.59 1ml1 s ASP 36 Cb 0.02 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1ml1 s ASP 36 CO -0.05 -1.13 0.44 0.54 -0.17 0.00 0.00 175.17 174.80 1ml1 s VAL 37 N 4.20 0.01 -0.26 1.11 0.11 -1.26 -4.28 120.40 120.03 1ml1 s VAL 37 Ca 0.47 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.33 1ml1 s VAL 37 Cb -0.09 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1ml1 s VAL 37 CO 0.26 -0.03 0.35 -1.58 -3.33 0.00 0.00 175.10 170.77 1ml1 s GLN 38 N 0.02 4.04 -0.13 1.54 2.00 -0.31 -4.91 119.66 121.92 1ml1 s GLN 38 Ca -0.02 0.02 -0.06 0.00 -2.00 0.00 0.00 55.36 53.30 1ml1 s GLN 38 Cb -0.03 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 1ml1 s GLN 38 CO 0.01 -0.21 0.10 0.00 -0.50 0.00 0.00 175.29 174.70 1ml1 s VAL 40 N -0.71 1.10 -0.29 0.00 1.01 -0.60 -1.17 120.40 119.74 1ml1 s VAL 40 Ca 0.13 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1ml1 s VAL 40 Cb -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.34 1ml1 s VAL 40 CO 0.03 0.33 -0.03 -0.69 0.00 0.00 0.00 175.10 174.74 1ml1 s VAL 41 N 0.33 2.76 -0.13 2.92 1.01 -0.08 0.58 120.40 127.77 1ml1 s VAL 41 Ca -0.07 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.36 1ml1 s VAL 41 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1ml1 s VAL 41 CO 0.02 -0.10 0.12 0.00 0.00 0.00 0.00 175.10 175.15 1ml1 s ALA 42 N 1.21 3.79 0.30 5.51 0.00 0.11 -0.68 121.76 131.99 1ml1 s ALA 42 Ca -0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1ml1 s ALA 42 Cb -0.20 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.01 1ml1 s ALA 42 CO -0.02 0.54 0.62 -1.13 0.00 0.00 0.00 175.76 175.77 1ml1 n SER 43 N 2.27 -1.79 -4.84 0.00 3.41 -0.60 -0.92 113.62 111.14 1ml1 n SER 43 Ca -0.19 -2.23 -0.22 0.00 -0.26 0.00 0.00 58.87 55.97 1ml1 n SER 43 Cb 0.54 2.97 0.08 0.00 -0.26 0.00 0.00 64.21 67.54 1ml1 n SER 43 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ml1 s THR 44 N -2.30 2.27 0.47 6.66 -4.23 -1.26 -1.86 115.64 115.39 1ml1 s THR 44 Ca 0.12 -0.75 0.20 0.00 -1.18 0.00 0.00 61.69 60.08 1ml1 s THR 44 Cb -0.04 -2.51 0.37 0.00 1.34 0.00 0.00 72.50 71.66 1ml1 s THR 44 CO 0.09 0.00 1.95 2.19 -0.54 0.00 0.00 174.62 178.31 1ml1 h PHE 45 N -0.16 0.29 -0.23 3.99 -0.00 -1.98 -1.58 116.94 117.26 1ml1 h PHE 45 Ca -0.35 0.01 0.05 0.00 -0.00 0.00 0.00 57.97 57.68 1ml1 h PHE 45 Cb 1.28 -0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 37.09 1ml1 h PHE 45 CO 0.10 0.11 -0.11 -0.39 -0.00 0.00 0.00 178.31 178.03 1ml1 h VAL 46 N 0.25 0.66 0.00 0.88 -1.51 -2.02 -3.07 116.25 111.44 1ml1 h VAL 46 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1ml1 h VAL 46 Cb 0.92 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1ml1 h VAL 46 CO -0.07 0.00 -1.14 1.41 -1.23 0.00 0.00 177.57 176.54 1ml1 n HIS 47 N -5.27 0.16 -0.17 5.19 8.25 -0.93 -4.43 115.22 118.02 1ml1 n HIS 47 Ca -0.01 0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1ml1 n HIS 47 Cb 0.19 -0.34 0.33 0.00 1.12 0.00 0.00 29.99 31.29 1ml1 n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ml1 h LEU 48 N 0.00 0.71 -0.26 2.41 5.85 -1.20 -1.82 115.31 121.00 1ml1 h LEU 48 Ca 0.00 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1ml1 h LEU 48 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1ml1 h LEU 48 CO 0.00 0.48 -0.60 0.00 -0.34 0.00 0.00 178.44 177.98 1ml1 h ALA 49 N 1.60 0.43 0.39 1.25 0.00 -1.77 -2.27 119.26 118.89 1ml1 h ALA 49 Ca 0.28 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ml1 h ALA 49 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ml1 h ALA 49 CO -0.08 0.68 -0.19 1.98 0.00 0.00 0.00 179.25 181.64 1ml1 h MET 50 N 0.65 -0.51 -0.76 0.00 1.85 -1.73 -3.06 114.93 111.38 1ml1 h MET 50 Ca -0.00 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1ml1 h MET 50 Cb 1.22 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 33.33 1ml1 h MET 50 CO 0.13 -0.22 0.47 1.79 -0.40 0.00 0.00 176.91 178.69 1ml1 h THR 51 N -0.78 1.21 -0.18 -0.77 1.35 -1.44 0.74 112.91 113.05 1ml1 h THR 51 Ca -0.05 -0.43 0.05 0.00 -0.55 0.00 0.00 66.41 65.43 1ml1 h THR 51 Cb 0.53 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1ml1 h THR 51 CO 0.09 0.21 0.24 0.50 -0.25 0.00 0.00 175.52 176.31 1ml1 h LYS 52 N 1.03 0.00 0.00 4.72 3.11 -1.44 0.46 116.57 124.45 1ml1 h LYS 52 Ca 0.27 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.93 1ml1 h LYS 52 Cb -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.13 1ml1 h LYS 52 CO -0.05 0.00 -1.77 -1.91 -2.81 0.00 0.00 179.45 172.91 1ml1 n GLU 53 N -3.60 1.88 -0.02 1.90 0.00 -0.24 -4.66 120.64 115.90 1ml1 n GLU 53 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1ml1 n GLU 53 Cb 0.36 -1.30 -0.13 0.00 0.00 0.00 0.00 31.44 30.37 1ml1 n GLU 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1ml1 n ARG 54 N -2.36 0.64 -2.48 5.31 0.63 0.24 -4.85 116.66 113.79 1ml1 n ARG 54 Ca -0.17 0.17 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1ml1 n ARG 54 Cb 0.81 -1.72 -0.02 0.00 0.45 0.00 0.00 32.46 31.97 1ml1 n ARG 54 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1ml1 s LEU 55 N -5.74 4.18 -0.00 6.15 2.96 0.12 -4.88 118.68 121.47 1ml1 s LEU 55 Ca -0.05 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 1ml1 s LEU 55 Cb 0.08 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1ml1 s LEU 55 CO 0.83 -0.71 0.05 -1.54 -1.32 0.00 0.00 176.35 173.65 1ml1 n SER 56 N 6.32 0.38 -4.64 3.68 3.41 -1.26 -4.91 113.62 116.60 1ml1 n SER 56 Ca 0.13 -0.49 -0.48 0.00 -0.26 0.00 0.00 58.87 57.77 1ml1 n SER 56 Cb 0.45 1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.36 1ml1 n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ml1 n HIS 57 N -1.06 1.97 0.24 7.33 -0.00 -1.26 -4.86 115.22 117.57 1ml1 n HIS 57 Ca 0.00 0.43 0.12 0.00 -0.00 0.00 0.00 57.72 58.27 1ml1 n HIS 57 Cb 0.02 -2.45 0.74 0.00 -0.00 0.00 0.00 29.99 28.30 1ml1 n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ml1 h PRO 58 N 5.07 0.00 -0.01 1.57 0.11 -1.97 -2.22 132.00 134.56 1ml1 h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ml1 h PRO 58 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ml1 h PRO 58 CO 0.82 0.00 -0.27 1.63 -0.21 0.00 0.00 178.00 179.97 1ml1 n LYS 59 N -4.25 0.65 -3.92 1.05 5.02 -1.26 -4.95 118.16 110.50 1ml1 n LYS 59 Ca -0.01 -0.36 -0.28 0.00 -2.02 0.00 0.00 58.31 55.63 1ml1 n LYS 59 Cb 0.17 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1ml1 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ml1 s PHE 60 N -2.59 3.50 0.05 2.13 0.40 -0.84 -0.85 117.98 119.78 1ml1 s PHE 60 Ca 0.23 0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.69 1ml1 s PHE 60 Cb 0.19 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1ml1 s PHE 60 CO 0.54 0.55 0.12 0.54 0.70 0.00 0.00 175.22 177.67 1ml1 s VAL 61 N -1.64 0.14 0.19 -0.44 0.11 -0.31 -4.90 120.40 113.55 1ml1 s VAL 61 Ca 0.35 -1.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.32 1ml1 s VAL 61 Cb -0.12 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1ml1 s VAL 61 CO 0.28 -0.64 -0.03 0.27 -3.33 0.00 0.00 175.10 171.65 1ml1 s ILE 62 N -3.01 3.52 0.04 7.04 -4.36 -1.26 -0.91 121.20 122.26 1ml1 s ILE 62 Ca -0.02 -1.56 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1ml1 s ILE 62 Cb 0.01 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1ml1 s ILE 62 CO -0.06 -0.15 0.06 0.00 0.24 0.00 0.00 174.94 175.02 1ml1 s ALA 63 N -1.81 0.06 0.20 2.27 0.00 0.14 -3.91 121.76 118.72 1ml1 s ALA 63 Ca 0.27 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 1ml1 s ALA 63 Cb -0.09 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 1ml1 s ALA 63 CO 0.18 -0.31 0.59 0.00 0.00 0.00 0.00 175.76 176.22 1ml1 s ALA 64 N -2.72 3.52 -0.75 0.00 0.00 -0.97 -1.56 121.76 119.27 1ml1 s ALA 64 Ca -0.04 -0.11 0.26 0.00 0.00 0.00 0.00 51.96 52.07 1ml1 s ALA 64 Cb -0.01 -2.57 0.91 0.00 0.00 0.00 0.00 23.12 21.45 1ml1 s ALA 64 CO -0.05 0.44 1.78 1.04 0.00 0.00 0.00 175.76 178.96 1ml1 n GLN 65 N 0.39 0.19 -3.57 0.00 6.02 -0.78 -1.28 117.38 118.36 1ml1 n GLN 65 Ca -0.02 0.21 0.03 0.00 -0.01 0.00 0.00 57.00 57.21 1ml1 n GLN 65 Cb 0.52 -1.75 -0.00 0.00 1.02 0.00 0.00 30.24 30.03 1ml1 n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ml1 s ASN 66 N -4.14 -0.00 -0.03 1.08 2.47 -1.23 -4.54 114.94 108.54 1ml1 s ASN 66 Ca 0.10 -0.00 -0.02 0.00 0.42 0.00 0.00 52.86 53.36 1ml1 s ASN 66 Cb 0.13 0.01 0.02 0.00 -1.45 0.00 0.00 41.25 39.96 1ml1 s ASN 66 CO 0.54 -0.01 0.08 0.00 -3.72 0.00 0.00 177.10 173.98 1ml1 s ALA 67 N -2.02 -0.12 -0.36 1.71 0.00 -1.26 -4.98 121.76 114.73 1ml1 s ALA 67 Ca 0.14 0.34 0.23 0.00 0.00 0.00 0.00 51.96 52.67 1ml1 s ALA 67 Cb 0.06 -0.23 0.14 0.00 0.00 0.00 0.00 23.12 23.09 1ml1 s ALA 67 CO -0.06 -0.08 1.21 0.78 0.00 0.00 0.00 175.76 177.61 1ml1 h GLY 68 N 6.67 0.00 -2.08 0.00 0.00 -2.01 -3.49 103.07 102.16 1ml1 h GLY 68 Ca -0.35 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.25 1ml1 h GLY 68 CO 0.46 0.00 0.75 0.54 0.00 0.00 0.00 176.54 178.29 1ml1 s ASN 69 N -5.29 -0.03 0.46 0.19 2.20 -1.26 -5.03 114.94 106.18 1ml1 s ASN 69 Ca 0.02 -0.34 0.14 0.00 -0.94 0.00 0.00 52.86 51.75 1ml1 s ASN 69 Cb 0.09 0.29 1.09 0.00 -2.00 0.00 0.00 41.25 40.72 1ml1 s ASN 69 CO 0.75 -0.56 2.03 0.00 -2.94 0.00 0.00 177.10 176.38 1ml1 h ALA 70 N 2.00 2.02 -0.54 3.54 0.00 -1.99 -0.80 119.26 123.50 1ml1 h ALA 70 Ca -0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1ml1 h ALA 70 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1ml1 h ALA 70 CO 0.31 -0.11 -0.03 -0.44 0.00 0.00 0.00 179.25 178.98 1ml1 h ASP 71 N 0.31 0.95 -0.23 0.00 3.32 -1.99 -1.22 116.42 117.56 1ml1 h ASP 71 Ca 0.20 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1ml1 h ASP 71 Cb 0.39 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ml1 h ASP 71 CO -0.04 1.05 -0.09 0.00 -1.72 0.00 0.00 179.24 178.43 1ml1 h ALA 72 N 0.94 1.17 -0.47 3.45 0.00 -1.57 -0.15 119.26 122.64 1ml1 h ALA 72 Ca 0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ml1 h ALA 72 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ml1 h ALA 72 CO 0.03 0.53 0.06 -0.07 0.00 0.00 0.00 179.25 179.80 1ml1 h LEU 80 N 0.57 0.75 -0.09 0.00 3.38 -1.11 0.61 115.31 119.42 1ml1 h LEU 80 Ca 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ml1 h LEU 80 Cb 0.50 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ml1 h LEU 80 CO 0.03 0.84 0.05 0.00 0.09 0.00 0.00 178.44 179.44 1ml1 h ALA 81 N 0.95 0.12 -0.37 1.53 0.00 -0.72 0.42 119.26 121.19 1ml1 h ALA 81 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ml1 h ALA 81 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ml1 h ALA 81 CO 0.01 -0.33 0.13 0.66 0.00 0.00 0.00 179.25 179.72 1ml1 h SER 82 N 0.04 0.53 -0.54 0.00 4.64 -0.92 -0.37 113.55 116.93 1ml1 h SER 82 Ca 0.03 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1ml1 h SER 82 Cb 0.10 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1ml1 h SER 82 CO -0.00 0.58 0.36 -0.07 -0.87 0.00 0.00 176.83 176.82 1ml1 h LEU 83 N 0.45 0.62 -0.07 5.97 3.38 -0.77 0.38 115.31 125.27 1ml1 h LEU 83 Ca 0.12 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1ml1 h LEU 83 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ml1 h LEU 83 CO -0.01 0.45 -0.05 0.50 0.09 0.00 0.00 178.44 179.42 1ml1 h LYS 84 N 0.73 -0.06 -0.65 1.13 1.63 -0.53 -1.36 116.57 117.46 1ml1 h LYS 84 Ca 0.20 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1ml1 h LYS 84 Cb -0.08 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1ml1 h LYS 84 CO -0.04 -0.04 0.37 -0.44 -3.45 0.00 0.00 179.45 175.84 1ml1 h ASP 85 N -0.07 0.79 0.43 4.20 3.32 -0.49 0.23 116.42 124.84 1ml1 h ASP 85 Ca 0.05 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ml1 h ASP 85 Cb 0.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ml1 h ASP 85 CO -0.11 0.63 0.00 0.15 -1.72 0.00 0.00 179.24 178.19 1ml1 h PHE 86 N 0.90 0.00 0.00 4.55 3.57 0.48 -3.46 116.94 122.99 1ml1 h PHE 86 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1ml1 h PHE 86 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1ml1 h PHE 86 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1ml1 n GLY 87 N -0.56 1.97 3.41 2.40 0.00 0.82 -5.07 105.19 108.16 1ml1 n GLY 87 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ml1 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml1 s VAL 88 N -2.00 3.62 -0.49 1.61 1.01 -0.59 -5.00 120.40 118.57 1ml1 s VAL 88 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1ml1 s VAL 88 Cb 0.00 -2.61 -0.11 0.00 0.00 0.00 0.00 36.38 33.66 1ml1 s VAL 88 CO 0.00 0.46 0.44 0.59 0.00 0.00 0.00 175.10 176.59 1ml1 n ASN 89 N 4.07 0.49 -4.43 3.32 3.02 -1.26 -4.07 115.26 116.40 1ml1 n ASN 89 Ca -0.18 -0.75 -0.28 0.00 -0.03 0.00 0.00 54.58 53.34 1ml1 n ASN 89 Cb 0.52 0.99 -0.12 0.00 -0.61 0.00 0.00 39.78 40.56 1ml1 n ASN 89 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ml1 s TRP 90 N -1.96 2.38 -0.12 3.10 0.52 -1.25 0.10 118.94 121.70 1ml1 s TRP 90 Ca 0.04 -0.34 -0.14 0.00 0.02 0.00 0.00 56.10 55.68 1ml1 s TRP 90 Cb 0.08 -1.25 0.04 0.00 -1.15 0.00 0.00 33.47 31.19 1ml1 s TRP 90 CO 0.42 0.40 0.38 -1.50 0.02 0.00 0.00 176.95 176.68 1ml1 s ILE 91 N -1.27 0.01 -0.23 2.03 2.07 -0.37 -2.29 121.20 121.14 1ml1 s ILE 91 Ca 0.17 -0.10 -0.12 0.00 -1.41 0.00 0.00 60.65 59.20 1ml1 s ILE 91 Cb -0.10 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 1ml1 s ILE 91 CO 0.08 -0.05 0.21 -0.69 -1.91 0.00 0.00 174.94 172.58 1ml1 s VAL 92 N -0.15 5.33 0.12 4.00 1.01 -0.40 -0.99 120.40 129.32 1ml1 s VAL 92 Ca -0.03 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1ml1 s VAL 92 Cb -0.03 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1ml1 s VAL 92 CO 0.02 0.32 -0.13 -0.76 0.00 0.00 0.00 175.10 174.55 1ml1 s LEU 93 N 1.13 2.42 -0.67 3.92 1.43 -0.20 -3.58 118.68 123.13 1ml1 s LEU 93 Ca 0.10 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1ml1 s LEU 93 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1ml1 s LEU 93 CO 0.05 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1ml1 n GLY 94 N 0.46 0.85 3.72 -3.19 0.00 -1.26 -0.63 105.19 105.13 1ml1 n GLY 94 Ca -0.15 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1ml1 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ml1 n HIS 95 N -2.71 1.96 -0.17 1.61 -0.00 -1.26 -4.44 115.22 110.21 1ml1 n HIS 95 Ca -0.06 0.43 -0.04 0.00 0.46 0.00 0.00 57.72 58.50 1ml1 n HIS 95 Cb 0.26 -2.30 -0.04 0.00 -0.12 0.00 0.00 29.99 27.80 1ml1 n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1ml1 n SER 96 N -1.29 -0.42 -0.01 0.26 3.41 -1.26 -0.46 113.62 113.85 1ml1 n SER 96 Ca 0.13 0.89 0.10 0.00 -0.26 0.00 0.00 58.87 59.73 1ml1 n SER 96 Cb 0.46 -0.18 0.52 0.00 -0.26 0.00 0.00 64.21 64.75 1ml1 n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ml1 h GLU 97 N 0.00 0.35 -0.15 4.33 9.09 -1.97 0.14 114.58 126.36 1ml1 h GLU 97 Ca 0.06 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.41 1ml1 h GLU 97 Cb 0.16 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1ml1 h GLU 97 CO -0.38 0.23 -0.10 0.00 0.05 0.00 0.00 179.01 178.81 1ml1 h ARG 98 N 0.36 0.22 0.00 1.06 2.47 -1.09 0.21 114.38 117.61 1ml1 h ARG 98 Ca 0.20 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1ml1 h ARG 98 Cb 0.35 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1ml1 h ARG 98 CO -0.05 0.34 -0.29 0.00 0.56 0.00 0.00 179.97 180.53 1ml1 h ARG 99 N 0.22 0.00 0.03 0.04 3.08 -0.70 0.47 114.38 117.50 1ml1 h ARG 99 Ca 0.05 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.83 1ml1 h ARG 99 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1ml1 h ARG 99 CO 0.02 0.56 -1.43 0.11 -1.07 0.00 0.00 179.97 178.15 1ml1 h TRP 100 N -1.00 0.10 0.05 3.04 5.08 -1.06 -2.62 115.95 119.54 1ml1 h TRP 100 Ca -0.06 -0.07 -0.28 0.00 1.08 0.00 0.00 58.89 59.56 1ml1 h TRP 100 Cb 0.68 -0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.81 1ml1 h TRP 100 CO 0.09 1.09 -1.52 -0.92 -1.28 0.00 0.00 178.44 175.91 1ml1 h TYR 101 N 0.01 0.19 -0.01 0.12 3.20 -0.85 -3.38 116.97 116.26 1ml1 h TYR 101 Ca -0.18 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1ml1 h TYR 101 Cb 1.93 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.19 1ml1 h TYR 101 CO 0.01 1.60 -0.13 0.66 -1.64 0.00 0.00 178.16 178.66 1ml1 n TYR 102 N -4.09 0.00 -3.16 -3.82 4.01 -0.44 -4.99 117.16 104.68 1ml1 n TYR 102 Ca -0.32 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.26 1ml1 n TYR 102 Cb 0.82 -0.05 0.05 0.00 -0.31 0.00 0.00 39.34 39.85 1ml1 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ml1 n GLY 103 N 1.26 -0.12 3.68 2.72 0.00 -0.99 -4.95 105.19 106.80 1ml1 n GLY 103 Ca 0.15 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ml1 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ml1 s GLU 104 N -5.79 4.37 0.76 1.61 2.02 0.13 -4.99 118.70 116.82 1ml1 s GLU 104 Ca 0.37 1.10 -0.10 0.00 0.02 0.00 0.00 54.97 56.35 1ml1 s GLU 104 Cb -0.16 -3.54 0.07 0.00 0.10 0.00 0.00 34.13 30.60 1ml1 s GLU 104 CO 0.45 -0.24 1.11 0.95 0.02 0.00 0.00 175.26 177.55 1ml1 s THR 105 N 1.80 2.17 0.33 3.63 -4.23 -1.26 -4.50 115.64 113.57 1ml1 s THR 105 Ca 0.41 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1ml1 s THR 105 Cb -0.17 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 70.95 1ml1 s THR 105 CO 0.16 -0.02 1.89 0.78 -0.54 0.00 0.00 174.62 176.88 1ml1 h ASN 106 N -0.85 0.77 -0.53 3.99 2.35 -1.96 -0.88 115.58 118.48 1ml1 h ASN 106 Ca -0.45 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 1ml1 h ASN 106 Cb 1.32 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 1ml1 h ASN 106 CO 0.64 0.44 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.50 1ml1 h GLU 107 N 0.84 0.95 -0.20 0.81 3.07 -1.92 -2.00 114.58 116.14 1ml1 h GLU 107 Ca 0.42 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1ml1 h GLU 107 Cb 0.48 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1ml1 h GLU 107 CO -0.19 0.98 0.00 0.82 -1.40 0.00 0.00 179.01 179.22 1ml1 h ILE 108 N 0.82 1.25 -0.00 3.13 2.04 -1.55 -1.25 117.51 121.96 1ml1 h ILE 108 Ca 0.15 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1ml1 h ILE 108 Cb 0.57 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1ml1 h ILE 108 CO 0.03 0.26 -0.41 -0.37 0.00 0.00 0.00 178.15 177.66 1ml1 h VAL 109 N 0.10 1.30 -0.18 1.67 -1.51 -1.30 -0.98 116.25 115.35 1ml1 h VAL 109 Ca 0.06 -1.42 -0.00 0.00 -1.23 0.00 0.00 66.70 64.10 1ml1 h VAL 109 Cb 0.39 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1ml1 h VAL 109 CO 0.01 0.41 0.11 0.00 -1.23 0.00 0.00 177.57 176.87 1ml1 h ALA 110 N 1.58 0.23 -0.85 5.19 0.00 -1.16 0.13 119.26 124.38 1ml1 h ALA 110 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ml1 h ALA 110 Cb 0.73 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1ml1 h ALA 110 CO 0.05 -0.26 0.49 -0.44 0.00 0.00 0.00 179.25 179.09 1ml1 h ASP 111 N 0.22 1.04 -0.73 0.00 3.32 -0.84 -1.13 116.42 118.30 1ml1 h ASP 111 Ca 0.07 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1ml1 h ASP 111 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1ml1 h ASP 111 CO -0.01 0.83 0.23 0.11 -1.72 0.00 0.00 179.24 178.67 1ml1 h LYS 112 N 1.18 1.13 -0.41 3.56 1.57 -0.56 -1.14 116.57 121.88 1ml1 h LYS 112 Ca 0.30 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1ml1 h LYS 112 Cb -0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1ml1 h LYS 112 CO -0.05 0.96 0.10 0.28 -0.57 0.00 0.00 179.45 180.17 1ml1 h VAL 113 N 1.07 1.23 -0.48 0.50 2.07 -0.45 -0.61 116.25 119.59 1ml1 h VAL 113 Ca 0.23 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1ml1 h VAL 113 Cb 0.30 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1ml1 h VAL 113 CO -0.01 0.28 0.24 0.00 0.02 0.00 0.00 177.57 178.10 1ml1 h ALA 114 N 0.95 0.61 -0.20 1.67 0.00 -1.00 -1.75 119.26 119.56 1ml1 h ALA 114 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ml1 h ALA 114 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ml1 h ALA 114 CO 0.00 0.17 0.09 0.00 0.00 0.00 0.00 179.25 179.51 1ml1 h ALA 115 N 1.08 0.26 -0.36 0.00 0.00 -1.04 -1.36 119.26 117.83 1ml1 h ALA 115 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ml1 h ALA 115 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ml1 h ALA 115 CO -0.02 -0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.21 1ml1 h ALA 116 N 0.95 0.44 -0.59 0.00 0.00 -1.00 -1.02 119.26 118.03 1ml1 h ALA 116 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ml1 h ALA 116 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ml1 h ALA 116 CO -0.01 -0.22 0.38 0.28 0.00 0.00 0.00 179.25 179.68 1ml1 h VAL 117 N 0.33 1.14 -0.61 0.00 2.07 -1.13 -1.28 116.25 116.77 1ml1 h VAL 117 Ca 0.16 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1ml1 h VAL 117 Cb 0.10 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1ml1 h VAL 117 CO -0.13 0.14 0.34 0.00 0.02 0.00 0.00 177.57 177.94 1ml1 h ALA 118 N 1.22 0.80 0.00 1.67 0.00 -0.78 0.20 119.26 122.38 1ml1 h ALA 118 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ml1 h ALA 118 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ml1 h ALA 118 CO -0.05 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.65 1ml1 n SER 119 N -4.80 0.00 0.00 0.00 7.64 -0.43 -4.87 113.62 111.16 1ml1 n SER 119 Ca 0.07 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1ml1 n SER 119 Cb 0.14 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1ml1 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ml1 n GLY 120 N 0.11 0.98 3.95 0.23 0.00 0.71 -5.02 105.19 106.14 1ml1 n GLY 120 Ca 0.11 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1ml1 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ml1 s PHE 121 N -2.00 3.37 -0.27 1.61 0.40 -0.55 -4.96 117.98 115.59 1ml1 s PHE 121 Ca 0.00 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 1ml1 s PHE 121 Cb 0.00 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1ml1 s PHE 121 CO 0.00 -0.05 0.18 -1.64 0.70 0.00 0.00 175.22 174.41 1ml1 s MET 122 N -4.38 3.95 -0.15 0.44 -1.94 0.11 -4.52 119.30 112.81 1ml1 s MET 122 Ca 0.43 -0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 54.04 1ml1 s MET 122 Cb -0.10 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1ml1 s MET 122 CO 0.36 -0.14 -0.01 0.08 -0.01 0.00 0.00 175.02 175.30 1ml1 s VAL 123 N 1.63 4.17 -0.46 -6.03 1.01 -0.02 -1.23 120.40 119.47 1ml1 s VAL 123 Ca 0.07 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1ml1 s VAL 123 Cb -0.16 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1ml1 s VAL 123 CO 0.09 0.50 0.35 -0.63 0.00 0.00 0.00 175.10 175.41 1ml1 s ILE 124 N 0.21 4.71 -0.24 2.22 1.01 -0.16 -0.18 121.20 128.77 1ml1 s ILE 124 Ca -0.00 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 1ml1 s ILE 124 Cb -0.13 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1ml1 s ILE 124 CO 0.02 -0.60 0.44 0.00 0.00 0.00 0.00 174.94 174.79 1ml1 s ALA 125 N 1.52 3.57 0.04 9.38 0.00 -0.09 -1.03 121.76 135.14 1ml1 s ALA 125 Ca 0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1ml1 s ALA 125 Cb -0.25 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 1ml1 s ALA 125 CO 0.04 -0.58 0.44 0.00 0.00 0.00 0.00 175.76 175.65 1ml1 s ILE 127 N -1.17 0.14 0.00 0.00 -4.36 -0.07 -4.70 121.20 111.04 1ml1 s ILE 127 Ca 0.27 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1ml1 s ILE 127 Cb -0.16 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1ml1 s ILE 127 CO 0.15 -0.63 0.00 0.61 0.24 0.00 0.00 174.94 175.31 1ml1 n GLY 128 N -0.04 3.38 3.86 6.27 0.00 -1.26 -0.96 105.19 116.43 1ml1 n GLY 128 Ca -0.09 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1ml1 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ml1 s GLU 129 N -2.09 2.86 0.71 1.61 1.03 -1.26 -4.71 118.70 116.85 1ml1 s GLU 129 Ca 0.00 -1.15 -0.06 0.00 0.03 0.00 0.00 54.97 53.78 1ml1 s GLU 129 Cb 0.00 -2.55 0.07 0.00 -0.80 0.00 0.00 34.13 30.85 1ml1 s GLU 129 CO 0.00 0.23 1.02 0.95 -1.33 0.00 0.00 175.26 176.13 1ml1 s THR 130 N -2.21 2.27 0.23 1.83 -4.23 -1.26 -0.06 115.64 112.20 1ml1 s THR 130 Ca 0.38 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1ml1 s THR 130 Cb -0.07 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.99 1ml1 s THR 130 CO 0.26 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.46 1ml1 h LEU 131 N -0.62 1.05 0.59 4.79 5.85 -1.97 0.21 115.31 125.22 1ml1 h LEU 131 Ca -0.44 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1ml1 h LEU 131 Cb 1.31 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1ml1 h LEU 131 CO 0.58 0.83 -0.40 1.56 -0.34 0.00 0.00 178.44 180.66 1ml1 h GLN 132 N 1.20 -0.92 -0.85 1.25 7.50 -1.99 -0.33 115.11 120.97 1ml1 h GLN 132 Ca 0.31 0.06 0.12 0.00 0.50 0.00 0.00 58.65 59.64 1ml1 h GLN 132 Cb -0.02 0.21 -0.08 0.00 0.05 0.00 0.00 27.48 27.64 1ml1 h GLN 132 CO -0.05 -0.61 0.47 0.93 -1.50 0.00 0.00 178.83 178.06 1ml1 h GLU 133 N -0.95 0.72 0.33 1.46 5.08 -1.83 0.84 114.58 120.23 1ml1 h GLU 133 Ca -0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ml1 h GLU 133 Cb 0.79 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ml1 h GLU 133 CO 0.04 0.48 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.18 1ml1 h ARG 134 N 0.74 -0.57 -0.66 2.33 9.65 -0.63 0.17 114.38 125.42 1ml1 h ARG 134 Ca 0.43 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.31 1ml1 h ARG 134 Cb 0.48 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 1ml1 h ARG 134 CO -0.29 -0.38 0.26 0.93 2.80 0.00 0.00 179.97 183.29 1ml1 h GLU 135 N -0.59 0.96 0.00 0.20 5.08 -0.19 -0.60 114.58 119.44 1ml1 h GLU 135 Ca -0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1ml1 h GLU 135 Cb 0.52 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ml1 h GLU 135 CO -0.01 0.78 0.00 0.43 -1.00 0.00 0.00 179.01 179.21 1ml1 n SER 136 N -4.31 0.00 -0.89 1.42 7.64 0.21 -4.83 113.62 112.86 1ml1 n SER 136 Ca 0.06 -0.39 -0.10 0.00 1.01 0.00 0.00 58.87 59.45 1ml1 n SER 136 Cb 0.17 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1ml1 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ml1 n GLY 137 N 0.02 0.63 1.47 0.23 0.00 -0.23 -4.93 105.19 102.39 1ml1 n GLY 137 Ca 0.11 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1ml1 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml1 n ARG 138 N -2.38 3.14 -0.09 1.61 1.74 0.01 -4.68 116.66 116.01 1ml1 n ARG 138 Ca -0.10 -2.77 -0.08 0.00 -0.77 0.00 0.00 57.85 54.12 1ml1 n ARG 138 Cb 0.43 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1ml1 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ml1 h THR 139 N 4.30 0.25 -0.97 0.55 2.02 -1.82 -1.40 112.91 115.84 1ml1 h THR 139 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1ml1 h THR 139 Cb 1.18 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1ml1 h THR 139 CO 0.09 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.61 1ml1 h ALA 140 N 0.68 1.30 -0.24 6.16 0.00 -1.95 -1.40 119.26 123.82 1ml1 h ALA 140 Ca 0.15 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1ml1 h ALA 140 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ml1 h ALA 140 CO -0.49 0.49 -0.55 -0.24 0.00 0.00 0.00 179.25 178.46 1ml1 h VAL 141 N 1.21 1.29 0.92 0.00 3.04 -1.79 -2.72 116.25 118.19 1ml1 h VAL 141 Ca 0.39 -1.75 -0.04 0.00 -1.01 0.00 0.00 66.70 64.29 1ml1 h VAL 141 Cb 0.04 1.77 0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1ml1 h VAL 141 CO -0.14 0.56 -0.44 0.58 -1.01 0.00 0.00 177.57 177.12 1ml1 h VAL 142 N 0.54 0.00 -0.51 1.51 2.07 -1.01 -1.47 116.25 117.37 1ml1 h VAL 142 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1ml1 h VAL 142 Cb 1.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1ml1 h VAL 142 CO 0.12 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.22 1ml1 h VAL 143 N -1.23 0.53 -0.19 2.57 2.07 -1.38 -1.00 116.25 117.61 1ml1 h VAL 143 Ca -0.13 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1ml1 h VAL 143 Cb 0.95 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ml1 h VAL 143 CO 0.21 0.01 -0.18 -0.07 0.02 0.00 0.00 177.57 177.55 1ml1 h LEU 144 N 0.05 0.32 -0.51 2.57 3.38 -1.45 -1.51 115.31 118.15 1ml1 h LEU 144 Ca 0.25 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1ml1 h LEU 144 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1ml1 h LEU 144 CO -0.49 0.52 -0.18 0.74 0.09 0.00 0.00 178.44 179.12 1ml1 h THR 145 N 0.30 1.27 0.27 0.22 2.02 -0.23 0.14 112.91 116.89 1ml1 h THR 145 Ca 0.05 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1ml1 h THR 145 Cb 0.50 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ml1 h THR 145 CO 0.03 0.47 -0.13 1.56 0.37 0.00 0.00 175.52 177.82 1ml1 h GLN 146 N 0.89 -0.35 -0.65 6.66 4.20 -0.84 -2.20 115.11 122.81 1ml1 h GLN 146 Ca 0.12 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1ml1 h GLN 146 Cb 0.76 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1ml1 h GLN 146 CO 0.06 -0.13 0.31 0.97 -0.67 0.00 0.00 178.83 179.37 1ml1 h ILE 147 N -0.52 1.21 -0.35 2.54 -0.00 -1.24 -2.24 117.51 116.91 1ml1 h ILE 147 Ca -0.04 -0.58 -0.07 0.00 -0.00 0.00 0.00 64.86 64.17 1ml1 h ILE 147 Cb 0.38 0.38 -0.02 0.00 -0.00 0.00 0.00 36.82 37.56 1ml1 h ILE 147 CO 0.06 0.24 -0.07 0.00 -0.00 0.00 0.00 178.15 178.39 1ml1 h ALA 148 N 1.43 1.22 -0.77 0.18 0.00 -0.63 -1.07 119.26 119.62 1ml1 h ALA 148 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ml1 h ALA 148 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ml1 h ALA 148 CO -0.03 0.51 0.28 0.00 0.00 0.00 0.00 179.25 180.01 1ml1 h ALA 149 N 1.38 1.04 -0.23 0.00 0.00 -0.78 -1.35 119.26 119.32 1ml1 h ALA 149 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ml1 h ALA 149 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ml1 h ALA 149 CO 0.02 0.66 -0.15 0.82 0.00 0.00 0.00 179.25 180.61 1ml1 h ILE 150 N 1.13 1.31 -0.87 0.00 2.04 -1.27 -3.20 117.51 116.66 1ml1 h ILE 150 Ca 0.25 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1ml1 h ILE 150 Cb 0.25 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1ml1 h ILE 150 CO -0.02 0.39 0.58 0.00 0.00 0.00 0.00 178.15 179.10 1ml1 h ALA 151 N 0.69 1.11 -0.14 1.87 0.00 -0.97 -1.90 119.26 119.92 1ml1 h ALA 151 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ml1 h ALA 151 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ml1 h ALA 151 CO 0.04 0.49 0.33 -0.22 0.00 0.00 0.00 179.25 179.89 1ml1 h LYS 152 N 1.17 0.00 -0.00 0.00 1.63 -1.24 -0.88 116.57 117.24 1ml1 h LYS 152 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1ml1 h LYS 152 Cb -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1ml1 h LYS 152 CO -0.08 0.00 -0.52 1.63 -3.45 0.00 0.00 179.45 177.03 1ml1 n LYS 153 N -3.24 2.09 -3.99 1.90 4.76 -0.73 -4.99 118.16 113.96 1ml1 n LYS 153 Ca 0.01 -0.32 -0.36 0.00 -2.87 0.00 0.00 58.31 54.77 1ml1 n LYS 153 Cb 0.42 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.35 1ml1 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ml1 s LEU 154 N -2.37 4.20 0.25 -0.35 1.43 -0.34 -4.86 118.68 116.64 1ml1 s LEU 154 Ca 0.08 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 1ml1 s LEU 154 Cb 0.11 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 1ml1 s LEU 154 CO 0.49 0.36 0.58 -0.75 0.23 0.00 0.00 176.35 177.27 1ml1 s LYS 155 N -1.25 3.83 0.42 1.70 2.47 -1.26 -4.94 119.74 120.71 1ml1 s LYS 155 Ca 0.18 0.33 0.24 0.00 -1.56 0.00 0.00 55.97 55.16 1ml1 s LYS 155 Cb -0.12 -2.61 1.27 0.00 -1.46 0.00 0.00 37.83 34.91 1ml1 s LYS 155 CO 0.07 0.29 1.70 -0.22 0.16 0.00 0.00 175.35 177.35 1ml1 h LYS 156 N 2.47 0.23 -0.15 4.03 3.64 -1.98 0.16 116.57 124.97 1ml1 h LYS 156 Ca -0.47 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1ml1 h LYS 156 Cb 1.17 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1ml1 h LYS 156 CO 0.68 0.15 -0.28 0.00 -2.27 0.00 0.00 179.45 177.73 1ml1 h ALA 157 N 1.61 1.24 0.00 5.00 0.00 -2.03 -3.04 119.26 122.04 1ml1 h ALA 157 Ca 0.70 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1ml1 h ALA 157 Cb 2.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1ml1 h ALA 157 CO -0.35 0.51 -0.08 -0.44 0.00 0.00 0.00 179.25 178.89 1ml1 h ASP 158 N 0.25 0.00 0.00 0.00 3.32 -1.05 -2.45 116.42 116.50 1ml1 h ASP 158 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ml1 h ASP 158 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1ml1 h ASP 158 CO 0.05 0.08 0.06 -0.50 -1.72 0.00 0.00 179.24 177.20 1ml1 h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.59 0.98 115.95 123.96 1ml1 h TRP 159 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1ml1 h TRP 159 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1ml1 h TRP 159 CO 0.00 0.00 -0.13 0.00 -3.56 0.00 0.00 178.44 174.75 1ml1 h ALA 160 N 1.87 1.17 -0.39 1.49 0.00 -1.65 -2.50 119.26 119.25 1ml1 h ALA 160 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ml1 h ALA 160 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ml1 h ALA 160 CO 0.00 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1ml1 n LYS 161 N -3.49 2.45 -4.68 0.00 4.76 0.34 -4.96 118.16 112.58 1ml1 n LYS 161 Ca -0.01 -2.19 -0.33 0.00 -2.87 0.00 0.00 58.31 52.90 1ml1 n LYS 161 Cb 0.29 -1.51 -0.12 0.00 -1.84 0.00 0.00 35.03 31.85 1ml1 n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ml1 s VAL 162 N -1.50 3.50 -0.04 -0.18 1.01 -0.94 -0.84 120.40 121.41 1ml1 s VAL 162 Ca 0.39 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1ml1 s VAL 162 Cb 0.22 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1ml1 s VAL 162 CO 0.31 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 175.11 1ml1 s VAL 163 N -0.53 1.52 -0.15 2.92 1.01 0.75 -4.63 120.40 121.29 1ml1 s VAL 163 Ca 0.08 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1ml1 s VAL 163 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1ml1 s VAL 163 CO 0.02 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 174.97 1ml1 s ILE 164 N -0.12 4.68 -0.21 2.22 -1.09 -0.59 -0.92 121.20 125.17 1ml1 s ILE 164 Ca -0.01 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1ml1 s ILE 164 Cb -0.11 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1ml1 s ILE 164 CO 0.01 0.51 -0.14 0.00 -1.23 0.00 0.00 174.94 174.10 1ml1 s ALA 165 N -0.06 2.50 -0.38 9.38 0.00 -0.17 -0.37 121.76 132.66 1ml1 s ALA 165 Ca 0.06 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 1ml1 s ALA 165 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1ml1 s ALA 165 CO 0.01 -0.51 0.46 -0.47 0.00 0.00 0.00 175.76 175.25 1ml1 s TYR 166 N 1.31 3.17 -0.21 0.00 5.04 0.11 -0.89 117.35 125.88 1ml1 s TYR 166 Ca 0.03 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 1ml1 s TYR 166 Cb -0.14 -2.90 0.07 0.00 0.35 0.00 0.00 41.96 39.34 1ml1 s TYR 166 CO -0.09 -0.61 0.04 -1.21 -1.34 0.00 0.00 175.55 172.34 1ml1 s GLU 167 N 2.25 0.74 0.13 4.97 2.02 -0.13 -1.19 118.70 127.48 1ml1 s GLU 167 Ca 0.15 -0.56 -0.32 0.00 0.02 0.00 0.00 54.97 54.26 1ml1 s GLU 167 Cb -0.16 -2.12 -0.12 0.00 0.10 0.00 0.00 34.13 31.83 1ml1 s GLU 167 CO 0.14 -0.69 1.75 -2.30 0.02 0.00 0.00 175.26 174.18 1ml1 n PRO 168 N 5.00 2.55 0.09 0.39 -0.02 -1.25 -4.23 135.00 137.53 1ml1 n PRO 168 Ca -0.08 0.92 0.19 0.00 -2.02 0.00 0.00 63.50 62.51 1ml1 n PRO 168 Cb 0.46 -2.77 0.74 0.00 -0.02 0.00 0.00 33.50 31.91 1ml1 n PRO 168 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ml1 h VAL 169 N 4.29 0.61 0.00 -1.45 2.07 -0.76 0.11 116.25 121.11 1ml1 h VAL 169 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1ml1 h VAL 169 Cb 1.23 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1ml1 h VAL 169 CO 0.93 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 175.85 1ml1 n TRP 170 N -4.10 0.00 -0.01 1.57 4.27 -1.26 -3.42 117.44 114.49 1ml1 n TRP 170 Ca 0.06 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.77 1ml1 n TRP 170 Cb 0.50 -0.28 -0.16 0.00 -1.36 0.00 0.00 31.31 30.01 1ml1 n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ml1 n ALA 171 N -1.28 2.71 -2.31 -1.67 0.00 0.38 -4.58 120.51 113.76 1ml1 n ALA 171 Ca 0.14 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1ml1 n ALA 171 Cb 0.24 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 1ml1 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ml1 s ILE 172 N -3.37 3.81 0.00 0.00 1.01 -1.19 -2.26 121.20 119.19 1ml1 s ILE 172 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1ml1 s ILE 172 Cb 0.13 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1ml1 s ILE 172 CO 0.84 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1ml1 n GLY 173 N 5.19 0.84 0.10 6.18 0.00 -1.26 -4.85 105.19 111.39 1ml1 n GLY 173 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1ml1 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ml1 n THR 174 N -2.00 0.56 -0.26 2.61 -2.24 -1.23 -4.94 114.28 106.78 1ml1 n THR 174 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1ml1 n THR 174 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1ml1 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ml1 n GLY 175 N 1.20 0.87 3.32 3.38 0.00 -1.26 -5.00 105.19 107.70 1ml1 n GLY 175 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 1ml1 n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ml1 s LYS 176 N -0.60 3.35 0.56 1.61 2.20 -1.26 -5.00 119.74 120.59 1ml1 s LYS 176 Ca 0.00 -2.15 -0.15 0.00 -0.36 0.00 0.00 55.97 53.31 1ml1 s LYS 176 Cb 0.00 -4.38 -0.06 0.00 -1.51 0.00 0.00 37.83 31.88 1ml1 s LYS 176 CO 0.00 -1.31 1.00 0.08 -0.36 0.00 0.00 175.35 174.77 1ml1 s VAL 177 N 0.76 4.55 0.79 4.02 1.01 -1.26 -4.00 120.40 126.27 1ml1 s VAL 177 Ca 0.12 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1ml1 s VAL 177 Cb -0.18 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1ml1 s VAL 177 CO -0.04 -0.84 1.11 0.00 0.00 0.00 0.00 175.10 175.33 1ml1 s ALA 178 N -2.81 2.37 0.29 5.51 0.00 -1.26 -5.05 121.76 120.82 1ml1 s ALA 178 Ca 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1ml1 s ALA 178 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1ml1 s ALA 178 CO 0.40 -1.67 0.51 0.95 0.00 0.00 0.00 175.76 175.94 1ml1 s THR 179 N -3.27 5.11 0.55 0.00 -4.23 -1.26 -4.90 115.64 107.64 1ml1 s THR 179 Ca 0.61 -0.33 0.33 0.00 -1.18 0.00 0.00 61.69 61.12 1ml1 s THR 179 Cb -0.13 -3.80 0.50 0.00 1.34 0.00 0.00 72.50 70.40 1ml1 s THR 179 CO 0.53 -0.40 1.85 -0.65 -0.54 0.00 0.00 174.62 175.41 1ml1 h PRO 180 N 1.29 0.00 0.06 3.99 0.11 -1.95 0.10 132.00 135.60 1ml1 h PRO 180 Ca -0.49 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1ml1 h PRO 180 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 1ml1 h PRO 180 CO 0.64 0.00 -0.86 1.96 -0.21 0.00 0.00 178.00 179.53 1ml1 h GLN 181 N 0.00 0.48 -0.02 1.05 7.50 -1.97 -1.97 115.11 120.18 1ml1 h GLN 181 Ca 0.45 -0.59 -0.00 0.00 0.50 0.00 0.00 58.65 59.01 1ml1 h GLN 181 Cb 1.86 0.19 -0.00 0.00 0.05 0.00 0.00 27.48 29.58 1ml1 h GLN 181 CO -0.00 1.23 0.01 1.96 -1.50 0.00 0.00 178.83 180.53 1ml1 h GLN 182 N -0.00 0.03 0.20 1.46 4.20 -1.23 -1.13 115.11 118.64 1ml1 h GLN 182 Ca -0.12 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1ml1 h GLN 182 Cb 1.58 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1ml1 h GLN 182 CO 0.17 0.14 -0.09 0.00 -0.67 0.00 0.00 178.83 178.37 1ml1 h ALA 183 N 0.89 -0.26 -0.81 3.87 0.00 -1.33 -2.26 119.26 119.36 1ml1 h ALA 183 Ca 0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ml1 h ALA 183 Cb 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ml1 h ALA 183 CO -0.00 -0.64 0.53 0.37 0.00 0.00 0.00 179.25 179.51 1ml1 h GLN 184 N -0.28 0.84 -0.13 0.00 5.75 -1.31 0.27 115.11 120.25 1ml1 h GLN 184 Ca -0.03 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1ml1 h GLN 184 Cb 0.22 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1ml1 h GLN 184 CO 0.04 0.55 -0.07 1.49 -2.65 0.00 0.00 178.83 178.20 1ml1 h GLU 185 N 0.86 0.27 -0.38 1.69 4.81 -1.06 0.59 114.58 121.36 1ml1 h GLU 185 Ca 0.35 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1ml1 h GLU 185 Cb 0.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1ml1 h GLU 185 CO -0.13 0.62 0.17 0.00 -0.73 0.00 0.00 179.01 178.94 1ml1 h ALA 186 N 0.64 0.49 -0.55 2.92 0.00 -0.98 -0.98 119.26 120.80 1ml1 h ALA 186 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ml1 h ALA 186 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ml1 h ALA 186 CO 0.02 0.07 0.25 0.45 0.00 0.00 0.00 179.25 180.04 1ml1 h HIS 187 N 0.47 0.80 -0.88 0.00 3.86 -0.94 -1.24 115.15 117.22 1ml1 h HIS 187 Ca 0.13 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1ml1 h HIS 187 Cb 0.15 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1ml1 h HIS 187 CO -0.01 0.63 0.46 0.00 0.86 0.00 0.00 177.93 179.87 1ml1 h ALA 188 N 1.09 1.16 -0.09 2.45 0.00 -0.66 -1.00 119.26 122.22 1ml1 h ALA 188 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ml1 h ALA 188 Cb 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ml1 h ALA 188 CO -0.02 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.17 1ml1 h LEU 189 N 1.24 0.14 -0.27 0.00 5.85 -0.76 -1.45 115.31 120.05 1ml1 h LEU 189 Ca 0.31 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ml1 h LEU 189 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ml1 h LEU 189 CO -0.05 0.29 0.15 0.40 -0.34 0.00 0.00 178.44 178.90 1ml1 h ILE 190 N -0.03 1.02 -0.92 4.05 2.04 -1.07 -1.50 117.51 121.11 1ml1 h ILE 190 Ca 0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1ml1 h ILE 190 Cb 0.21 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1ml1 h ILE 190 CO -0.00 0.06 0.59 -0.09 0.00 0.00 0.00 178.15 178.70 1ml1 h ARG 191 N 0.32 1.23 -0.13 2.37 2.43 -1.07 -1.33 114.38 118.20 1ml1 h ARG 191 Ca 0.11 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ml1 h ARG 191 Cb 0.01 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1ml1 h ARG 191 CO -0.06 0.84 0.08 0.77 -1.51 0.00 0.00 179.97 180.09 1ml1 h SER 192 N 1.26 0.13 -0.36 -3.80 0.02 -0.93 0.21 113.55 110.08 1ml1 h SER 192 Ca 0.33 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1ml1 h SER 192 Cb -0.10 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1ml1 h SER 192 CO -0.07 0.09 0.11 -0.25 -1.14 0.00 0.00 176.83 175.58 1ml1 h TRP 193 N 0.16 0.20 -0.40 3.45 7.01 -0.95 -0.05 115.95 125.37 1ml1 h TRP 193 Ca 0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1ml1 h TRP 193 Cb -0.01 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1ml1 h TRP 193 CO -0.08 0.08 0.16 0.28 -2.79 0.00 0.00 178.44 176.09 1ml1 h VAL 194 N 0.26 1.19 -0.42 2.65 2.07 -0.86 0.16 116.25 121.31 1ml1 h VAL 194 Ca 0.16 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1ml1 h VAL 194 Cb 0.15 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1ml1 h VAL 194 CO -0.18 0.22 0.22 -1.28 0.02 0.00 0.00 177.57 176.57 1ml1 h SER 195 N 0.49 0.34 1.02 0.57 0.87 -0.11 0.50 113.55 117.24 1ml1 h SER 195 Ca 0.13 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1ml1 h SER 195 Cb 0.19 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1ml1 h SER 195 CO -0.01 0.25 -0.72 0.77 -0.53 0.00 0.00 176.83 176.59 1ml1 h SER 196 N 0.45 0.00 0.32 6.23 4.64 -0.86 -2.58 113.55 121.75 1ml1 h SER 196 Ca 0.17 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.17 1ml1 h SER 196 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1ml1 h SER 196 CO -0.10 0.72 -1.88 1.17 -0.87 0.00 0.00 176.83 175.87 1ml1 n LYS 197 N -3.44 0.68 -0.06 4.77 0.00 0.55 -4.71 118.16 115.96 1ml1 n LYS 197 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 58.31 58.46 1ml1 n LYS 197 Cb 0.77 -1.74 -0.05 0.00 0.00 0.00 0.00 35.03 34.01 1ml1 n LYS 197 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ml1 n ILE 198 N -3.20 0.69 0.00 3.15 2.08 0.17 -5.06 119.36 117.18 1ml1 n ILE 198 Ca -0.24 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1ml1 n ILE 198 Cb 1.05 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 1ml1 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ml1 n GLY 199 N 2.45 3.82 0.15 7.39 0.00 -0.88 -4.92 105.19 113.21 1ml1 n GLY 199 Ca -0.24 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1ml1 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml1 h ALA 200 N 0.00 0.84 -0.01 4.61 0.00 -1.84 -0.90 119.26 121.96 1ml1 h ALA 200 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ml1 h ALA 200 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ml1 h ALA 200 CO 0.00 0.65 0.00 0.38 0.00 0.00 0.00 179.25 180.28 1ml1 h ASP 201 N 0.00 0.01 0.19 0.00 2.03 -1.93 -2.20 116.42 114.52 1ml1 h ASP 201 Ca -0.01 -0.18 -0.01 0.00 -0.73 0.00 0.00 57.03 56.11 1ml1 h ASP 201 Cb 1.14 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1ml1 h ASP 201 CO 0.07 0.19 -0.09 0.58 -1.03 0.00 0.00 179.24 178.95 1ml1 h VAL 202 N -0.16 0.87 -0.92 4.15 2.07 -1.89 -2.75 116.25 117.62 1ml1 h VAL 202 Ca 0.00 -0.28 0.22 0.00 0.82 0.00 0.00 66.70 67.47 1ml1 h VAL 202 Cb 0.18 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1ml1 h VAL 202 CO -0.00 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.27 1ml1 h ALA 203 N 0.38 2.37 0.05 1.67 0.00 -1.16 -0.37 119.26 122.20 1ml1 h ALA 203 Ca -0.03 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1ml1 h ALA 203 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ml1 h ALA 203 CO 0.04 -0.66 -1.04 0.78 0.00 0.00 0.00 179.25 178.37 1ml1 h GLY 204 N 0.30 0.18 2.00 0.00 0.00 -1.17 -3.21 103.07 101.18 1ml1 h GLY 204 Ca 0.47 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1ml1 h GLY 204 CO -0.15 0.36 -0.55 0.83 0.00 0.00 0.00 176.54 177.03 1ml1 h GLU 205 N 0.06 0.00 -6.46 4.80 4.39 -0.83 -3.41 114.58 113.13 1ml1 h GLU 205 Ca -0.06 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.09 1ml1 h GLU 205 Cb 1.75 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.44 1ml1 h GLU 205 CO 0.16 0.55 1.08 -0.11 -1.16 0.00 0.00 179.01 179.53 1ml1 n LEU 206 N -3.37 3.85 -4.70 1.33 7.94 -0.52 -4.78 117.00 116.76 1ml1 n LEU 206 Ca 0.01 0.99 -0.38 0.00 -1.11 0.00 0.00 56.01 55.51 1ml1 n LEU 206 Cb 0.69 -1.50 -0.06 0.00 0.53 0.00 0.00 43.42 43.07 1ml1 n LEU 206 CO 0.40 0.09 0.19 -0.13 -1.11 0.00 0.00 177.39 176.83 1ml1 s ARG 207 N 2.87 4.28 -0.21 1.96 3.00 -1.26 -4.90 118.95 124.68 1ml1 s ARG 207 Ca 0.84 0.42 0.01 0.00 0.00 0.00 0.00 55.73 57.00 1ml1 s ARG 207 Cb -0.53 -3.49 0.05 0.00 0.00 0.00 0.00 34.95 30.98 1ml1 s ARG 207 CO 0.40 0.04 -0.08 0.42 0.00 0.00 0.00 175.30 176.07 1ml1 s ILE 208 N 1.03 1.57 0.26 1.52 1.01 -1.26 -1.55 121.20 123.78 1ml1 s ILE 208 Ca 0.25 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1ml1 s ILE 208 Cb -0.15 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1ml1 s ILE 208 CO 0.10 0.07 0.40 -0.76 0.00 0.00 0.00 174.94 174.75 1ml1 s LEU 209 N 1.41 4.25 -0.10 2.97 1.43 0.51 -1.12 118.68 128.03 1ml1 s LEU 209 Ca -0.03 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1ml1 s LEU 209 Cb -0.17 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1ml1 s LEU 209 CO -0.07 -0.11 -0.08 -0.47 0.23 0.00 0.00 176.35 175.85 1ml1 s TYR 210 N -2.04 2.92 -0.01 0.29 5.04 0.19 -0.71 117.35 123.04 1ml1 s TYR 210 Ca 0.36 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1ml1 s TYR 210 Cb -0.09 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.43 1ml1 s TYR 210 CO 0.31 0.14 -0.02 0.20 -1.34 0.00 0.00 175.55 174.84 1ml1 s GLY 211 N -0.32 0.12 0.00 8.97 0.00 -0.33 -1.87 107.32 113.89 1ml1 s GLY 211 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1ml1 s GLY 211 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.75 1ml1 n GLY 212 N 3.18 0.48 2.49 0.20 0.00 -1.26 -3.78 105.19 106.50 1ml1 n GLY 212 Ca -0.14 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1ml1 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ml1 n SER 213 N 0.00 -4.94 -4.77 1.61 7.64 -0.96 -4.31 113.62 107.89 1ml1 n SER 213 Ca 0.00 -0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.40 1ml1 n SER 213 Cb 0.00 -3.94 -0.03 0.00 -1.01 0.00 0.00 64.21 59.23 1ml1 n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ml1 s VAL 214 N -2.91 3.43 0.30 0.44 1.01 -1.26 -4.71 120.40 116.69 1ml1 s VAL 214 Ca 0.10 1.19 -0.08 0.00 0.00 0.00 0.00 61.98 63.20 1ml1 s VAL 214 Cb -0.05 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ml1 s VAL 214 CO 0.13 0.10 0.48 0.54 0.00 0.00 0.00 175.10 176.35 1ml1 s ASN 215 N -1.26 0.38 0.41 3.32 2.20 -1.26 -4.44 114.94 114.30 1ml1 s ASN 215 Ca 0.55 -1.23 0.13 0.00 -0.94 0.00 0.00 52.86 51.38 1ml1 s ASN 215 Cb -0.28 0.63 0.98 0.00 -2.00 0.00 0.00 41.25 40.59 1ml1 s ASN 215 CO 0.35 -1.23 1.94 1.23 -2.94 0.00 0.00 177.10 176.44 1ml1 h GLY 216 N 2.20 0.75 1.80 0.45 0.00 -1.94 -1.72 103.07 104.61 1ml1 h GLY 216 Ca -0.28 -0.20 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 1ml1 h GLY 216 CO 0.39 0.09 -1.06 0.50 0.00 0.00 0.00 176.54 176.46 1ml1 h LYS 217 N 0.48 0.15 0.00 4.80 6.56 -1.96 -3.37 116.57 123.24 1ml1 h LYS 217 Ca 0.34 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1ml1 h LYS 217 Cb 0.68 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1ml1 h LYS 217 CO -0.11 1.07 -1.28 0.27 -2.06 0.00 0.00 179.45 177.34 1ml1 n ASN 218 N -3.50 0.54 -0.06 0.86 0.23 -1.00 -4.65 115.26 107.67 1ml1 n ASN 218 Ca -0.04 -0.29 -0.09 0.00 -0.53 0.00 0.00 54.58 53.63 1ml1 n ASN 218 Cb 0.94 1.14 -0.03 0.00 -2.08 0.00 0.00 39.78 39.74 1ml1 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ml1 h ALA 219 N 2.46 -0.32 -0.58 -2.53 0.00 -1.48 -2.95 119.26 113.86 1ml1 h ALA 219 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1ml1 h ALA 219 Cb 0.77 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1ml1 h ALA 219 CO 0.00 -0.79 0.20 -0.09 0.00 0.00 0.00 179.25 178.57 1ml1 h ARG 220 N -0.34 0.36 -0.58 0.00 1.12 -1.83 0.37 114.38 113.49 1ml1 h ARG 220 Ca 0.13 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1ml1 h ARG 220 Cb 0.56 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.41 1ml1 h ARG 220 CO -0.46 0.24 0.32 1.15 -3.11 0.00 0.00 179.97 178.11 1ml1 h THR 221 N 0.37 1.19 -0.47 0.20 2.02 -1.87 0.13 112.91 114.49 1ml1 h THR 221 Ca 0.29 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ml1 h THR 221 Cb 0.37 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ml1 h THR 221 CO -0.31 0.21 0.17 -0.07 0.37 0.00 0.00 175.52 175.89 1ml1 h LEU 222 N 0.79 0.66 -1.23 2.58 3.38 -1.13 -2.74 115.31 117.62 1ml1 h LEU 222 Ca 0.20 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ml1 h LEU 222 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ml1 h LEU 222 CO -0.03 0.66 -0.25 0.22 0.09 0.00 0.00 178.44 179.13 1ml1 h TYR 223 N 0.62 0.23 0.00 1.13 3.20 0.06 -2.67 116.97 119.54 1ml1 h TYR 223 Ca 0.15 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1ml1 h TYR 223 Cb 0.22 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ml1 h TYR 223 CO 0.01 0.45 0.00 1.96 -1.64 0.00 0.00 178.16 178.94 1ml1 h GLN 224 N 0.20 0.00 -7.03 1.82 4.20 -0.42 -3.44 115.11 110.44 1ml1 h GLN 224 Ca 0.03 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.20 1ml1 h GLN 224 Cb 0.55 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.46 1ml1 h GLN 224 CO 0.04 0.00 0.63 -0.65 -0.67 0.00 0.00 178.83 178.18 1ml1 s GLN 225 N -4.08 3.34 0.38 1.46 -1.52 -1.01 -4.89 119.66 113.34 1ml1 s GLN 225 Ca -0.04 2.26 0.11 0.00 -1.95 0.00 0.00 55.36 55.74 1ml1 s GLN 225 Cb 0.12 -2.39 0.88 0.00 -0.22 0.00 0.00 33.01 31.41 1ml1 s GLN 225 CO 0.42 -1.04 1.89 -0.09 -0.25 0.00 0.00 175.29 176.22 1ml1 h ARG 226 N 1.76 0.59 -0.37 2.91 2.43 -1.90 -3.11 114.38 116.69 1ml1 h ARG 226 Ca -0.51 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1ml1 h ARG 226 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ml1 h ARG 226 CO 0.59 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 179.19 1ml1 n ASP 227 N -4.53 3.12 -4.63 -3.80 9.92 -1.26 -4.94 116.55 110.42 1ml1 n ASP 227 Ca 0.16 -2.10 -0.39 0.00 -0.53 0.00 0.00 54.79 51.93 1ml1 n ASP 227 Cb 0.47 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.59 1ml1 n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ml1 s VAL 228 N -1.18 5.15 -0.27 2.53 1.01 -1.18 -4.65 120.40 121.82 1ml1 s VAL 228 Ca 0.27 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.07 1ml1 s VAL 228 Cb 0.15 -3.75 0.52 0.00 0.00 0.00 0.00 36.38 33.30 1ml1 s VAL 228 CO 0.17 0.18 1.47 0.59 0.00 0.00 0.00 175.10 177.50 1ml1 n ASN 229 N 5.04 2.86 0.00 3.32 5.03 -0.27 -4.84 115.26 126.41 1ml1 n ASN 229 Ca -0.07 -3.58 0.00 0.00 0.87 0.00 0.00 54.58 51.80 1ml1 n ASN 229 Cb 0.51 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1ml1 n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ml1 n GLY 230 N -0.99 0.85 3.04 7.41 0.00 -1.26 -2.38 105.19 111.86 1ml1 n GLY 230 Ca 0.32 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1ml1 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ml1 s PHE 231 N -1.18 0.47 -0.28 1.61 0.08 -0.87 -0.63 117.98 117.18 1ml1 s PHE 231 Ca 0.00 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 56.36 1ml1 s PHE 231 Cb 0.00 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.15 1ml1 s PHE 231 CO 0.00 -0.18 0.05 -1.17 -0.10 0.00 0.00 175.22 173.81 1ml1 s LEU 232 N -1.85 3.68 -0.11 -0.37 2.96 -0.78 -1.18 118.68 121.03 1ml1 s LEU 232 Ca -0.08 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.12 1ml1 s LEU 232 Cb -0.06 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1ml1 s LEU 232 CO -0.02 -0.17 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.00 1ml1 s VAL 233 N 1.47 2.90 0.00 1.68 1.01 0.63 -4.22 120.40 123.86 1ml1 s VAL 233 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1ml1 s VAL 233 Cb -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1ml1 s VAL 233 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1ml1 n GLY 234 N 3.29 -0.26 0.17 4.51 0.00 -1.26 0.31 105.19 111.94 1ml1 n GLY 234 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1ml1 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ml1 h GLY 235 N 0.00 0.04 2.00 -0.02 0.00 -1.90 -1.46 103.07 101.73 1ml1 h GLY 235 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ml1 h GLY 235 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.40 1ml1 n ALA 236 N -2.56 1.56 1.17 3.60 0.00 -1.26 -2.22 120.51 120.80 1ml1 n ALA 236 Ca -0.02 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1ml1 n ALA 236 Cb 0.20 -1.30 0.63 0.00 0.00 0.00 0.00 19.45 18.98 1ml1 n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ml1 n SER 237 N -1.93 0.08 -0.37 0.00 3.41 -0.55 -2.23 113.62 112.03 1ml1 n SER 237 Ca 0.02 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1ml1 n SER 237 Cb 0.18 -0.33 0.34 0.00 -0.26 0.00 0.00 64.21 64.13 1ml1 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ml1 n LEU 238 N -1.38 1.37 -4.56 1.04 7.99 -0.94 -4.90 117.00 115.62 1ml1 n LEU 238 Ca 0.10 -0.42 -0.24 0.00 -0.01 0.00 0.00 56.01 55.44 1ml1 n LEU 238 Cb 0.30 -0.07 -0.09 0.00 -0.11 0.00 0.00 43.42 43.45 1ml1 n LEU 238 CO 0.26 0.25 -0.40 -0.54 -1.51 0.00 0.00 177.39 175.45 1ml1 s LYS 239 N -2.36 1.97 0.00 3.23 1.02 -0.94 -5.02 119.74 117.63 1ml1 s LYS 239 Ca 0.27 -1.64 0.11 0.00 0.02 0.00 0.00 55.97 54.73 1ml1 s LYS 239 Cb 0.19 -1.93 0.47 0.00 -0.52 0.00 0.00 37.83 36.04 1ml1 s LYS 239 CO 0.48 0.31 1.35 -0.35 -0.92 0.00 0.00 175.35 176.22 1ml1 n PRO 240 N -0.77 0.00 0.00 -1.68 -0.04 -1.26 -2.27 135.00 128.98 1ml1 n PRO 240 Ca -0.05 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1ml1 n PRO 240 Cb 0.60 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.93 1ml1 n PRO 240 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ml1 n GLU 241 N -1.50 0.19 0.25 0.54 0.28 -1.26 -1.73 120.64 117.40 1ml1 n GLU 241 Ca 0.03 0.15 0.08 0.00 -0.16 0.00 0.00 57.16 57.26 1ml1 n GLU 241 Cb 0.13 -1.50 0.62 0.00 1.43 0.00 0.00 31.44 32.11 1ml1 n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ml1 h PHE 242 N 0.00 0.00 -0.77 -1.84 3.57 -1.52 -1.49 116.94 114.89 1ml1 h PHE 242 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1ml1 h PHE 242 Cb 0.16 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1ml1 h PHE 242 CO 0.00 0.09 0.27 0.28 -2.23 0.00 0.00 178.31 176.72 1ml1 h VAL 243 N 0.00 1.26 -0.30 1.41 2.07 -1.60 -1.29 116.25 117.80 1ml1 h VAL 243 Ca -0.00 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1ml1 h VAL 243 Cb 0.17 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ml1 h VAL 243 CO 0.01 0.35 -0.13 0.44 0.02 0.00 0.00 177.57 178.26 1ml1 h ASP 244 N 1.14 0.51 -0.42 0.57 3.32 -1.47 -1.33 116.42 118.74 1ml1 h ASP 244 Ca 0.25 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1ml1 h ASP 244 Cb 0.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ml1 h ASP 244 CO -0.01 0.67 -0.11 0.40 -1.72 0.00 0.00 179.24 178.47 1ml1 h ILE 245 N 0.48 1.26 -0.39 0.35 2.04 -0.98 -1.91 117.51 118.36 1ml1 h ILE 245 Ca 0.09 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1ml1 h ILE 245 Cb 0.52 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1ml1 h ILE 245 CO 0.03 0.42 -0.18 0.40 0.00 0.00 0.00 178.15 178.82 1ml1 h ILE 246 N 0.79 1.28 0.00 -0.67 2.04 -0.72 -2.76 117.51 117.47 1ml1 h ILE 246 Ca 0.13 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1ml1 h ILE 246 Cb 0.62 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1ml1 h ILE 246 CO 0.04 0.44 -0.08 0.11 0.00 0.00 0.00 178.15 178.66 1ml1 h LYS 247 N 0.62 0.00 0.00 2.37 1.79 -1.06 -2.46 116.57 117.83 1ml1 h LYS 247 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1ml1 h LYS 247 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1ml1 h LYS 247 CO 0.06 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.50 1ml1 n ALA 248 N -2.28 1.78 -0.27 3.86 0.00 -0.74 -2.56 120.51 120.29 1ml1 n ALA 248 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1ml1 n ALA 248 Cb 0.18 -1.24 0.29 0.00 0.00 0.00 0.00 19.45 18.69 1ml1 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ml1 n THR 249 N -1.38 1.75 1.15 0.00 -2.24 -0.92 -4.61 114.28 108.02 1ml1 n THR 249 Ca 0.06 -0.99 0.09 0.00 -2.27 0.00 0.00 64.05 60.94 1ml1 n THR 249 Cb 0.14 -0.14 0.54 0.00 -2.10 0.00 0.00 70.33 68.78 1ml1 n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50