#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r27 s LYS 2 N 0.00 0.18 -0.01 2.12 2.47 -1.26 -4.98 119.74 118.25 1r27 s LYS 2 Ca 0.00 0.15 -0.30 0.00 -1.56 0.00 0.00 55.97 54.26 1r27 s LYS 2 Cb 0.00 -1.25 -0.03 0.00 -1.46 0.00 0.00 37.83 35.09 1r27 s LYS 2 CO 0.00 -0.68 1.02 0.42 0.16 0.00 0.00 175.35 176.27 1r27 s ILE 3 N 2.30 4.74 0.24 5.43 -1.09 -1.26 -0.58 121.20 130.98 1r27 s ILE 3 Ca 0.07 1.97 0.09 0.00 -2.23 0.00 0.00 60.65 60.54 1r27 s ILE 3 Cb -0.16 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1r27 s ILE 3 CO -0.13 0.12 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.43 1r27 s ARG 4 N 1.24 1.47 0.07 2.79 1.81 0.17 -4.88 118.95 121.63 1r27 s ARG 4 Ca 0.52 -1.68 0.07 0.00 -1.72 0.00 0.00 55.73 52.92 1r27 s ARG 4 Cb -0.22 -1.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.96 1r27 s ARG 4 CO 0.26 0.19 -0.19 -1.54 -0.68 0.00 0.00 175.30 173.34 1r27 s SER 5 N -3.40 2.29 -0.07 0.23 1.04 -1.26 -1.30 113.70 111.24 1r27 s SER 5 Ca 0.26 -0.60 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 1r27 s SER 5 Cb -0.01 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.01 1r27 s SER 5 CO 0.10 0.06 0.37 -1.58 0.98 0.00 0.00 173.24 173.17 1r27 s GLN 6 N -1.59 0.62 -0.52 4.02 0.74 -0.74 -3.79 119.66 118.38 1r27 s GLN 6 Ca 0.05 0.13 -0.23 0.00 0.05 0.00 0.00 55.36 55.35 1r27 s GLN 6 Cb -0.09 0.28 0.04 0.00 1.10 0.00 0.00 33.01 34.34 1r27 s GLN 6 CO 0.03 -0.14 0.86 0.08 -0.55 0.00 0.00 175.29 175.57 1r27 s VAL 7 N -0.73 4.51 0.71 1.34 1.01 -1.26 -0.77 120.40 125.22 1r27 s VAL 7 Ca -0.08 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1r27 s VAL 7 Cb -0.04 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.91 1r27 s VAL 7 CO 0.03 -0.99 1.07 -0.83 0.00 0.00 0.00 175.10 174.38 1r27 s GLY 8 N 2.69 1.62 -0.01 4.51 0.00 0.11 -4.83 107.32 111.41 1r27 s GLY 8 Ca 0.28 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1r27 s GLY 8 CO 0.19 -0.16 -0.06 -0.29 0.00 0.00 0.00 173.10 172.77 1r27 s MET 9 N -5.33 0.54 -0.07 2.90 0.00 -1.05 -2.30 119.30 113.99 1r27 s MET 9 Ca 0.58 -0.22 0.03 0.00 0.00 0.00 0.00 55.69 56.08 1r27 s MET 9 Cb -0.11 -0.53 0.01 0.00 0.00 0.00 0.00 34.83 34.20 1r27 s MET 9 CO 0.49 0.12 -0.15 0.08 0.00 0.00 0.00 175.02 175.57 1r27 s VAL 10 N -0.08 1.34 -0.23 10.11 1.01 -0.44 -0.48 120.40 131.64 1r27 s VAL 10 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1r27 s VAL 10 Cb -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1r27 s VAL 10 CO -0.00 0.40 -0.00 -0.76 0.00 0.00 0.00 175.10 174.73 1r27 s LEU 11 N 0.56 3.10 -0.76 3.92 2.01 -0.04 -0.75 118.68 126.72 1r27 s LEU 11 Ca -0.15 -0.31 -0.23 0.00 0.01 0.00 0.00 54.13 53.45 1r27 s LEU 11 Cb -0.16 -1.80 0.07 0.00 0.01 0.00 0.00 46.19 44.31 1r27 s LEU 11 CO 0.05 -0.02 1.10 0.21 1.01 0.00 0.00 176.35 178.70 1r27 s ASN 12 N 1.47 6.29 0.06 2.29 3.84 0.32 -1.73 114.94 127.48 1r27 s ASN 12 Ca 0.05 -1.14 0.12 0.00 0.21 0.00 0.00 52.86 52.10 1r27 s ASN 12 Cb -0.15 -2.45 0.53 0.00 -0.55 0.00 0.00 41.25 38.63 1r27 s ASN 12 CO -0.01 -1.45 1.38 0.18 -2.79 0.00 0.00 177.10 174.42 1r27 n LEU 13 N 7.89 0.13 0.18 3.21 4.77 -0.70 -1.76 117.00 130.72 1r27 n LEU 13 Ca 0.06 0.54 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 1r27 n LEU 13 Cb 0.47 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 41.29 1r27 n LEU 13 CO 0.63 -0.41 0.63 -0.78 -1.33 0.00 0.00 177.39 176.12 1r27 h ASP 14 N 0.00 0.00 -0.00 -1.43 3.58 -1.73 -3.17 116.42 113.67 1r27 h ASP 14 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1r27 h ASP 14 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1r27 h ASP 14 CO 0.00 0.41 -0.82 0.29 -2.88 0.00 0.00 179.24 176.24 1r27 n LYS 15 N -3.45 0.65 -2.03 0.28 5.02 -0.72 -4.79 118.16 113.12 1r27 n LYS 15 Ca 0.00 -0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 55.64 1r27 n LYS 15 Cb 0.57 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1r27 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r27 n ILE 17 N 2.17 0.82 -3.81 0.00 -5.35 -1.26 -4.91 119.36 107.02 1r27 n ILE 17 Ca 0.06 -0.91 -0.28 0.00 -0.27 0.00 0.00 62.75 61.35 1r27 n ILE 17 Cb 0.40 0.62 0.04 0.00 -1.74 0.00 0.00 39.64 38.97 1r27 n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r27 n GLY 18 N 0.32 -0.48 0.17 3.28 0.00 -1.26 -4.91 105.19 102.31 1r27 n GLY 18 Ca 0.08 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1r27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 n HIS 20 N -3.09 0.00 -0.33 0.00 8.25 -1.26 -4.88 115.22 113.90 1r27 n HIS 20 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1r27 n HIS 20 Cb 0.63 -1.05 0.11 0.00 1.12 0.00 0.00 29.99 30.79 1r27 n HIS 20 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1r27 h THR 21 N 0.00 1.19 -0.92 1.59 2.02 -1.92 -1.61 112.91 113.26 1r27 h THR 21 Ca -0.05 -0.40 0.13 0.00 0.77 0.00 0.00 66.41 66.86 1r27 h THR 21 Cb 0.44 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 1r27 h THR 21 CO 0.07 0.22 0.59 0.00 0.37 0.00 0.00 175.52 176.76 1r27 h SER 23 N 0.78 0.61 -0.08 0.00 0.02 -1.53 -2.96 113.55 110.39 1r27 h SER 23 Ca 0.46 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1r27 h SER 23 Cb 0.64 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1r27 h SER 23 CO -0.22 1.14 -0.05 0.58 -1.14 0.00 0.00 176.83 177.14 1r27 h VAL 24 N 0.36 1.34 -0.78 2.27 2.07 -0.95 -2.23 116.25 118.33 1r27 h VAL 24 Ca -0.03 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1r27 h VAL 24 Cb 1.30 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1r27 h VAL 24 CO 0.13 0.32 0.31 0.71 0.02 0.00 0.00 177.57 179.06 1r27 h THR 25 N -0.22 1.26 -0.38 2.57 1.35 -1.45 -0.17 112.91 115.86 1r27 h THR 25 Ca 0.02 -0.81 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 1r27 h THR 25 Cb 0.53 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 1r27 h THR 25 CO 0.01 0.33 0.13 0.00 -0.25 0.00 0.00 175.52 175.74 1r27 h LYS 27 N 0.47 0.02 -0.41 0.00 1.63 -1.01 0.14 116.57 117.41 1r27 h LYS 27 Ca 0.12 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.98 1r27 h LYS 27 Cb 0.24 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 1r27 h LYS 27 CO -0.01 0.01 0.10 -0.91 -3.45 0.00 0.00 179.45 175.20 1r27 h ASN 28 N 0.02 0.05 0.11 4.20 2.35 -0.91 -1.83 115.58 119.57 1r27 h ASN 28 Ca 0.06 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1r27 h ASN 28 Cb 0.08 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1r27 h ASN 28 CO -0.12 0.06 -0.05 0.58 -1.65 0.00 0.00 177.43 176.25 1r27 h VAL 29 N 0.24 0.94 0.00 2.81 2.07 -1.20 -3.41 116.25 117.69 1r27 h VAL 29 Ca 0.20 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 1r27 h VAL 29 Cb 0.22 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1r27 h VAL 29 CO -0.24 0.27 -2.00 0.79 0.02 0.00 0.00 177.57 176.40 1r27 n TRP 30 N -4.85 0.00 -2.18 1.57 7.02 0.47 -4.74 117.44 114.73 1r27 n TRP 30 Ca -0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.38 1r27 n TRP 30 Cb 0.27 -0.56 0.08 0.00 -2.42 0.00 0.00 31.31 28.69 1r27 n TRP 30 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1r27 n THR 31 N -2.30 1.49 -2.43 -0.99 -2.24 -0.73 -4.85 114.28 102.24 1r27 n THR 31 Ca -0.09 -2.79 -0.41 0.00 -2.27 0.00 0.00 64.05 58.50 1r27 n THR 31 Cb 0.64 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1r27 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r27 n SER 32 N -0.49 7.58 -3.95 3.42 7.64 -0.97 -4.21 113.62 122.63 1r27 n SER 32 Ca 0.19 -3.52 -0.11 0.00 1.01 0.00 0.00 58.87 56.43 1r27 n SER 32 Cb 0.90 -1.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 1r27 n SER 32 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r27 s ARG 33 N -3.37 0.26 0.18 1.43 0.52 -1.26 -5.05 118.95 111.67 1r27 s ARG 33 Ca 0.44 -0.38 -0.32 0.00 -0.52 0.00 0.00 55.73 54.95 1r27 s ARG 33 Cb 0.19 -0.05 -0.11 0.00 0.52 0.00 0.00 34.95 35.50 1r27 s ARG 33 CO -0.12 0.00 1.71 -2.00 0.02 0.00 0.00 175.30 174.91 1r27 s GLU 34 N -0.83 4.14 0.00 3.54 2.12 -1.26 -1.63 118.70 124.78 1r27 s GLU 34 Ca -0.08 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1r27 s GLU 34 Cb -0.06 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1r27 s GLU 34 CO -0.00 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 1r27 n GLY 35 N 3.98 2.53 0.25 -1.50 0.00 -1.26 -4.70 105.19 104.49 1r27 n GLY 35 Ca 0.16 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1r27 n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r27 n VAL 36 N 0.00 1.19 0.24 1.61 0.24 -0.65 -2.83 118.33 118.12 1r27 n VAL 36 Ca 0.00 -1.45 0.07 0.00 -2.04 0.00 0.00 64.34 60.92 1r27 n VAL 36 Cb 0.00 0.04 0.60 0.00 -1.47 0.00 0.00 33.84 33.01 1r27 n VAL 36 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1r27 h GLU 37 N 0.03 0.04 0.00 7.34 9.09 -1.55 -1.24 114.58 128.28 1r27 h GLU 37 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1r27 h GLU 37 Cb 1.16 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1r27 h GLU 37 CO 0.00 0.06 -0.22 2.48 0.05 0.00 0.00 179.01 181.38 1r27 n TYR 38 N -4.49 0.14 -3.34 2.06 0.18 -1.26 -4.86 117.16 105.58 1r27 n TYR 38 Ca -0.02 0.04 -0.38 0.00 1.88 0.00 0.00 57.90 59.42 1r27 n TYR 38 Cb 0.12 -0.47 -0.06 0.00 -0.38 0.00 0.00 39.34 38.55 1r27 n TYR 38 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1r27 s ALA 39 N -3.02 3.52 -0.49 -3.48 0.00 -0.47 -4.96 121.76 112.85 1r27 s ALA 39 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1r27 s ALA 39 Cb 0.17 -2.60 0.13 0.00 0.00 0.00 0.00 23.12 20.82 1r27 s ALA 39 CO 0.61 0.11 0.24 -1.58 0.00 0.00 0.00 175.76 175.15 1r27 s TRP 40 N 0.20 2.97 0.34 0.00 0.52 -1.26 -4.93 118.94 116.79 1r27 s TRP 40 Ca 0.26 -3.01 0.14 0.00 0.02 0.00 0.00 56.10 53.51 1r27 s TRP 40 Cb -0.16 -2.64 1.08 0.00 -1.15 0.00 0.00 33.47 30.60 1r27 s TRP 40 CO 0.11 -0.76 1.67 0.74 0.02 0.00 0.00 176.95 178.73 1r27 h PHE 41 N 6.61 0.93 -3.28 -1.98 0.05 -1.93 -3.28 116.94 114.05 1r27 h PHE 41 Ca -0.07 0.04 -0.67 0.00 3.82 0.00 0.00 57.97 61.10 1r27 h PHE 41 Cb 0.91 -0.25 -0.30 0.00 2.00 0.00 0.00 35.95 38.30 1r27 h PHE 41 CO 0.51 -0.16 -0.81 1.21 -0.18 0.00 0.00 178.31 178.88 1r27 s ASN 42 N -4.92 3.62 0.03 2.17 2.47 -1.26 -4.23 114.94 112.82 1r27 s ASN 42 Ca -0.10 -0.47 -0.01 0.00 0.42 0.00 0.00 52.86 52.70 1r27 s ASN 42 Cb 0.30 -1.55 -0.03 0.00 -1.45 0.00 0.00 41.25 38.53 1r27 s ASN 42 CO 0.79 0.10 -0.02 0.54 -3.72 0.00 0.00 177.10 174.80 1r27 s ASN 43 N 0.70 0.31 -0.09 -4.21 4.22 -0.54 -4.50 114.94 110.83 1r27 s ASN 43 Ca -0.08 -0.66 0.04 0.00 -2.14 0.00 0.00 52.86 50.02 1r27 s ASN 43 Cb -0.16 0.15 -0.00 0.00 1.28 0.00 0.00 41.25 42.52 1r27 s ASN 43 CO 0.02 -0.42 -0.23 -0.69 -2.04 0.00 0.00 177.10 173.74 1r27 s VAL 44 N -2.38 2.19 -0.03 3.54 1.01 -1.26 -0.78 120.40 122.69 1r27 s VAL 44 Ca -0.07 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1r27 s VAL 44 Cb -0.03 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1r27 s VAL 44 CO -0.04 0.56 -0.26 -1.61 0.00 0.00 0.00 175.10 173.75 1r27 s GLU 45 N 0.20 2.18 0.12 2.72 2.02 -0.93 -4.90 118.70 120.12 1r27 s GLU 45 Ca -0.14 -0.92 -0.21 0.00 0.02 0.00 0.00 54.97 53.72 1r27 s GLU 45 Cb -0.17 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 31.94 1r27 s GLU 45 CO 0.07 0.52 0.64 0.99 0.02 0.00 0.00 175.26 177.51 1r27 s THR 46 N -0.52 4.62 0.04 3.63 2.01 -1.26 0.10 115.64 124.25 1r27 s THR 46 Ca 0.07 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.51 1r27 s THR 46 Cb -0.11 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1r27 s THR 46 CO -0.00 0.50 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.63 1r27 s LYS 47 N -1.24 1.81 0.42 4.92 -0.14 0.30 -3.86 119.74 121.95 1r27 s LYS 47 Ca 0.33 -1.09 -0.26 0.00 -1.36 0.00 0.00 55.97 53.59 1r27 s LYS 47 Cb -0.20 -1.97 -0.08 0.00 -1.68 0.00 0.00 37.83 33.90 1r27 s LYS 47 CO 0.21 0.51 1.31 -2.14 -0.76 0.00 0.00 175.35 174.49 1r27 s PRO 48 N -1.18 3.89 0.00 -1.68 0.02 -1.26 -1.04 135.00 133.75 1r27 s PRO 48 Ca 0.11 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1r27 s PRO 48 Cb -0.10 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1r27 s PRO 48 CO 0.02 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1r27 n GLY 49 N 0.65 0.23 0.01 0.52 0.00 -1.21 -4.84 105.19 100.54 1r27 n GLY 49 Ca 0.04 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1r27 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r27 n GLN 50 N -0.14 0.25 0.00 1.61 6.02 -1.26 -4.40 117.38 119.46 1r27 n GLN 50 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1r27 n GLN 50 Cb 0.00 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.73 1r27 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r27 n GLY 51 N 1.40 -1.28 2.72 1.08 0.00 -1.26 -0.23 105.19 107.62 1r27 n GLY 51 Ca 0.01 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 1r27 n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r27 s PHE 52 N 0.00 0.66 0.82 1.61 5.36 -1.26 -2.88 117.98 122.29 1r27 s PHE 52 Ca 0.00 -0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 55.44 1r27 s PHE 52 Cb 0.00 -0.84 0.09 0.00 -0.34 0.00 0.00 43.02 41.93 1r27 s PHE 52 CO 0.00 -0.46 1.09 -1.25 -1.46 0.00 0.00 175.22 173.14 1r27 s PRO 53 N 1.98 1.86 -0.10 10.12 0.04 -1.26 -4.91 135.00 142.72 1r27 s PRO 53 Ca 0.02 1.06 -0.36 0.00 0.04 0.00 0.00 61.00 61.76 1r27 s PRO 53 Cb -0.15 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 1r27 s PRO 53 CO -0.07 -1.89 1.73 2.41 0.04 0.00 0.00 177.00 179.22 1r27 n THR 54 N -3.68 0.34 -2.17 1.26 -1.04 -0.03 -1.98 114.28 106.99 1r27 n THR 54 Ca 0.08 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 1r27 n THR 54 Cb 0.54 -1.48 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 1r27 n THR 54 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1r27 n ASP 55 N 5.29 -4.17 0.06 8.00 2.03 0.68 -4.91 116.55 123.53 1r27 n ASP 55 Ca 0.23 0.02 0.21 0.00 0.52 0.00 0.00 54.79 55.77 1r27 n ASP 55 Cb 0.22 -3.30 0.74 0.00 -0.72 0.00 0.00 41.12 38.06 1r27 n ASP 55 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1r27 h TRP 56 N 0.00 0.00 0.00 -0.67 5.08 -1.48 0.32 115.95 119.20 1r27 h TRP 56 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 1r27 h TRP 56 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1r27 h TRP 56 CO 0.35 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.90 1r27 n GLU 57 N -3.86 0.08 -2.73 0.12 1.02 -1.26 -4.53 120.64 109.48 1r27 n GLU 57 Ca 0.09 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1r27 n GLU 57 Cb 0.64 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1r27 n GLU 57 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1r27 s ASN 58 N -2.90 6.49 0.45 1.62 3.04 0.10 -4.84 114.94 118.90 1r27 s ASN 58 Ca 0.14 -1.56 0.25 0.00 0.04 0.00 0.00 52.86 51.73 1r27 s ASN 58 Cb 0.16 -2.49 0.92 0.00 -1.54 0.00 0.00 41.25 38.30 1r27 s ASN 58 CO 0.43 -1.35 1.82 1.56 -3.04 0.00 0.00 177.10 176.52 1r27 h GLN 59 N 9.42 0.00 -0.05 0.43 1.08 -1.86 -1.32 115.11 122.81 1r27 h GLN 59 Ca 0.10 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1r27 h GLN 59 Cb 1.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1r27 h GLN 59 CO 1.27 0.20 -0.29 0.93 -0.95 0.00 0.00 178.83 179.99 1r27 h GLU 60 N 0.00 0.10 0.01 1.46 3.07 -1.94 0.52 114.58 117.80 1r27 h GLU 60 Ca -0.00 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1r27 h GLU 60 Cb 0.75 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1r27 h GLU 60 CO 0.03 0.38 -0.37 -0.22 -1.40 0.00 0.00 179.01 177.43 1r27 h LYS 61 N 0.09 0.02 0.00 2.33 3.64 -1.82 -3.39 116.57 117.43 1r27 h LYS 61 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1r27 h LYS 61 Cb 0.56 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1r27 h LYS 61 CO 0.04 1.01 -0.87 0.66 -2.27 0.00 0.00 179.45 178.03 1r27 n TYR 62 N -4.53 0.33 -2.42 1.91 4.02 -0.55 -4.93 117.16 110.99 1r27 n TYR 62 Ca -0.16 0.10 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 1r27 n TYR 62 Cb 0.55 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1r27 n TYR 62 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1r27 n LYS 63 N -1.97 -1.81 -2.81 -0.72 4.76 0.18 -4.81 118.16 110.99 1r27 n LYS 63 Ca 0.03 0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 55.91 1r27 n LYS 63 Cb 0.43 -4.98 0.02 0.00 -1.84 0.00 0.00 35.03 28.66 1r27 n LYS 63 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1r27 s GLY 64 N -2.48 1.61 0.00 0.72 0.00 -1.21 -3.23 107.32 102.73 1r27 s GLY 64 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1r27 s GLY 64 CO 0.08 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.99 1r27 n GLY 65 N -2.23 -1.86 3.64 0.20 0.00 -0.20 -4.70 105.19 100.04 1r27 n GLY 65 Ca 0.03 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 1r27 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r27 s TRP 66 N 0.00 2.65 0.11 1.61 0.52 -0.96 -1.07 118.94 121.81 1r27 s TRP 66 Ca 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1r27 s TRP 66 Cb 0.00 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1r27 s TRP 66 CO 0.00 0.59 -0.13 0.96 0.02 0.00 0.00 176.95 178.39 1r27 s ILE 67 N -2.36 1.24 -0.28 2.03 -4.36 -0.66 -4.68 121.20 112.13 1r27 s ILE 67 Ca 0.32 -1.68 -0.09 0.00 -0.26 0.00 0.00 60.65 58.93 1r27 s ILE 67 Cb -0.05 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 1r27 s ILE 67 CO 0.20 -0.44 0.14 -0.60 0.24 0.00 0.00 174.94 174.48 1r27 s ARG 68 N -2.65 3.67 0.68 0.37 3.52 -1.26 -2.31 118.95 120.97 1r27 s ARG 68 Ca 0.08 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.05 1r27 s ARG 68 Cb -0.05 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1r27 s ARG 68 CO 0.02 -0.25 1.09 0.15 -0.81 0.00 0.00 175.30 175.50 1r27 s LYS 69 N 1.67 2.77 0.62 5.12 1.02 0.27 -4.89 119.74 126.32 1r27 s LYS 69 Ca 0.06 1.23 0.40 0.00 0.02 0.00 0.00 55.97 57.68 1r27 s LYS 69 Cb -0.16 -1.96 2.17 0.00 -0.52 0.00 0.00 37.83 37.36 1r27 s LYS 69 CO 0.07 -1.25 2.22 0.97 -0.92 0.00 0.00 175.35 176.44 1r27 h ILE 70 N -0.31 0.00 -0.08 2.17 6.09 -1.98 0.17 117.51 123.56 1r27 h ILE 70 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1r27 h ILE 70 Cb 1.23 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1r27 h ILE 70 CO 0.54 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 175.16 1r27 n ASN 71 N -2.94 0.76 0.00 2.19 6.94 -1.26 -4.90 115.26 116.05 1r27 n ASN 71 Ca -0.03 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 52.93 1r27 n ASN 71 Cb 0.11 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1r27 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 72 N 0.92 1.99 3.87 4.83 0.00 0.58 -5.04 105.19 112.34 1r27 n GLY 72 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1r27 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 73 N -0.43 3.82 0.14 1.61 -0.14 -1.26 -4.78 119.74 118.71 1r27 s LYS 73 Ca 0.00 0.41 -0.08 0.00 -1.36 0.00 0.00 55.97 54.94 1r27 s LYS 73 Cb 0.00 -2.49 -0.06 0.00 -1.68 0.00 0.00 37.83 33.60 1r27 s LYS 73 CO 0.00 0.13 0.44 -0.51 -0.76 0.00 0.00 175.35 174.65 1r27 s LEU 74 N -3.36 4.27 -0.10 3.17 1.43 -1.26 -0.57 118.68 122.26 1r27 s LEU 74 Ca 0.50 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 1r27 s LEU 74 Cb -0.10 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1r27 s LEU 74 CO 0.25 0.06 0.30 -1.58 0.23 0.00 0.00 176.35 175.62 1r27 s GLN 75 N -2.41 0.38 0.30 1.70 0.74 -0.98 -4.94 119.66 114.46 1r27 s GLN 75 Ca 0.40 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 1r27 s GLN 75 Cb -0.13 0.18 -0.12 0.00 1.10 0.00 0.00 33.01 34.04 1r27 s GLN 75 CO 0.21 -0.05 1.38 -2.30 -0.55 0.00 0.00 175.29 173.97 1r27 n PRO 76 N 2.76 2.20 0.11 1.67 -0.02 -1.26 -1.65 135.00 138.80 1r27 n PRO 76 Ca -0.14 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.28 1r27 n PRO 76 Cb 0.58 -2.41 0.70 0.00 -0.02 0.00 0.00 33.50 32.34 1r27 n PRO 76 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1r27 h ARG 77 N 3.38 0.00 0.00 -0.52 2.43 -1.34 -0.73 114.38 117.61 1r27 h ARG 77 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1r27 h ARG 77 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1r27 h ARG 77 CO 0.69 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 179.15 1r27 n MET 78 N -4.32 0.97 0.00 0.20 0.00 -1.20 -4.97 117.12 107.80 1r27 n MET 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1r27 n MET 78 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.13 1r27 n MET 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r27 n GLY 79 N 0.93 3.51 3.86 3.17 0.00 -0.28 -4.73 105.19 111.65 1r27 n GLY 79 Ca 0.23 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1r27 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s ASN 80 N 0.00 2.68 0.25 1.61 6.03 -1.26 -4.12 114.94 120.13 1r27 s ASN 80 Ca 0.00 0.35 -0.04 0.00 -1.03 0.00 0.00 52.86 52.13 1r27 s ASN 80 Cb 0.00 -0.43 0.50 0.00 -3.03 0.00 0.00 41.25 38.29 1r27 s ASN 80 CO 0.00 -3.01 1.66 -0.09 -2.03 0.00 0.00 177.10 173.64 1r27 h ARG 81 N -1.83 0.21 0.46 3.55 2.43 -1.98 -0.90 114.38 116.32 1r27 h ARG 81 Ca -0.44 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1r27 h ARG 81 Cb 1.25 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1r27 h ARG 81 CO 0.37 0.14 -0.28 0.00 -1.51 0.00 0.00 179.97 178.69 1r27 h ALA 82 N 1.67 -0.70 -0.51 2.80 0.00 -2.00 -2.36 119.26 118.15 1r27 h ALA 82 Ca 0.44 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1r27 h ALA 82 Cb 0.79 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1r27 h ALA 82 CO -0.58 -0.91 0.34 1.98 0.00 0.00 0.00 179.25 180.08 1r27 h MET 83 N -0.70 0.53 0.38 0.00 1.85 -1.72 -2.22 114.93 113.05 1r27 h MET 83 Ca -0.05 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 1r27 h MET 83 Cb 0.57 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.48 1r27 h MET 83 CO 0.06 0.35 -0.18 -0.07 -0.40 0.00 0.00 176.91 176.67 1r27 h LEU 84 N 0.55 -0.43 -2.06 3.39 3.38 -0.95 -1.88 115.31 117.30 1r27 h LEU 84 Ca 0.21 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1r27 h LEU 84 Cb 0.14 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1r27 h LEU 84 CO -0.05 -0.20 0.08 -0.07 0.09 0.00 0.00 178.44 178.28 1r27 h LEU 85 N -0.65 0.00 -0.95 1.67 3.38 -1.14 0.12 115.31 117.74 1r27 h LEU 85 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1r27 h LEU 85 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1r27 h LEU 85 CO 0.09 0.00 -0.48 1.23 0.09 0.00 0.00 178.44 179.36 1r27 h GLY 86 N 0.00 0.00 0.74 0.83 0.00 -1.06 -2.77 103.07 100.81 1r27 h GLY 86 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1r27 h GLY 86 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1r27 n LYS 87 N -3.78 0.89 0.15 4.80 5.02 0.43 -2.57 118.16 123.12 1r27 n LYS 87 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1r27 n LYS 87 Cb 0.53 -1.37 0.28 0.00 -0.02 0.00 0.00 35.03 34.44 1r27 n LYS 87 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1r27 h ILE 88 N 0.00 1.33 0.06 -0.18 2.04 -1.46 -3.27 117.51 116.03 1r27 h ILE 88 Ca 0.00 -1.58 -0.37 0.00 1.00 0.00 0.00 64.86 63.91 1r27 h ILE 88 Cb 0.00 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1r27 h ILE 88 CO 0.00 0.45 -2.14 0.49 0.00 0.00 0.00 178.15 176.95 1r27 n PHE 89 N -3.99 0.72 -3.63 1.37 3.72 -1.06 -4.90 117.46 109.69 1r27 n PHE 89 Ca -0.02 0.17 -0.26 0.00 -0.05 0.00 0.00 57.45 57.29 1r27 n PHE 89 Cb 0.48 -1.09 -0.17 0.00 -0.94 0.00 0.00 39.48 37.76 1r27 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r27 s ALA 90 N -2.53 0.50 -0.36 4.37 0.00 -1.17 -5.08 121.76 117.50 1r27 s ALA 90 Ca -0.28 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1r27 s ALA 90 Cb 0.08 -1.05 0.11 0.00 0.00 0.00 0.00 23.12 22.26 1r27 s ALA 90 CO 0.68 -1.17 0.13 1.21 0.00 0.00 0.00 175.76 176.61 1r27 s ASN 91 N 2.10 4.13 0.00 0.00 3.84 -1.25 -4.22 114.94 119.54 1r27 s ASN 91 Ca 0.02 -2.10 0.23 0.00 0.21 0.00 0.00 52.86 51.21 1r27 s ASN 91 Cb -0.16 -1.14 1.20 0.00 -0.55 0.00 0.00 41.25 40.59 1r27 s ASN 91 CO -0.09 -0.36 1.75 -0.81 -2.79 0.00 0.00 177.10 174.81 1r27 n PRO 92 N 4.26 0.40 0.00 0.43 -0.04 -1.26 -3.67 135.00 135.12 1r27 n PRO 92 Ca 0.03 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1r27 n PRO 92 Cb 0.39 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1r27 n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1r27 n HIS 93 N -1.23 0.00 -1.72 0.54 8.25 -1.26 -5.01 115.22 114.79 1r27 n HIS 93 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 1r27 n HIS 93 Cb 0.16 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1r27 n HIS 93 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r27 n LEU 94 N 0.30 3.88 -4.71 2.41 4.77 -1.24 -4.82 117.00 117.59 1r27 n LEU 94 Ca 0.10 1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.86 1r27 n LEU 94 Cb 0.47 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 1r27 n LEU 94 CO 0.23 -0.25 1.25 -2.84 -1.33 0.00 0.00 177.39 174.45 1r27 s PRO 95 N -1.58 4.21 0.73 3.23 0.02 -1.26 -5.00 135.00 135.35 1r27 s PRO 95 Ca 0.58 2.36 -0.08 0.00 0.02 0.00 0.00 61.00 63.88 1r27 s PRO 95 Cb -0.55 -3.24 0.06 0.00 0.02 0.00 0.00 34.50 30.80 1r27 s PRO 95 CO 0.59 -0.64 1.06 0.20 -0.33 0.00 0.00 177.00 177.89 1r27 s GLY 96 N 1.40 1.66 0.42 0.52 0.00 -1.26 -4.93 107.32 105.12 1r27 s GLY 96 Ca 0.71 -0.83 0.10 0.00 0.00 0.00 0.00 44.72 44.70 1r27 s GLY 96 CO 0.31 -0.40 2.02 1.19 0.00 0.00 0.00 173.10 176.22 1r27 h ILE 97 N -0.72 1.11 0.00 0.90 6.09 -1.94 -0.49 117.51 122.47 1r27 h ILE 97 Ca -0.45 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1r27 h ILE 97 Cb 1.32 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.48 1r27 h ILE 97 CO 0.62 0.14 0.00 0.44 -3.07 0.00 0.00 178.15 176.28 1r27 h ASP 98 N 0.33 0.00 1.45 2.19 5.19 -1.93 0.63 116.42 124.28 1r27 h ASP 98 Ca 0.08 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1r27 h ASP 98 Cb 0.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1r27 h ASP 98 CO -0.00 0.00 -0.47 0.44 -3.12 0.00 0.00 179.24 176.08 1r27 h ASP 99 N 0.00 0.00 0.00 6.45 3.32 -1.44 -3.41 116.42 121.34 1r27 h ASP 99 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r27 h ASP 99 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1r27 h ASP 99 CO 0.00 0.47 0.00 -1.22 -1.72 0.00 0.00 179.24 176.77 1r27 n TYR 100 N -3.25 0.00 0.00 4.55 4.01 -0.78 -0.86 117.16 120.84 1r27 n TYR 100 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1r27 n TYR 100 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1r27 n TYR 100 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1r27 n TYR 101 N 0.00 0.00 -2.73 -0.72 0.18 0.14 -4.62 117.16 109.41 1r27 n TYR 101 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1r27 n TYR 101 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1r27 n TYR 101 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1r27 s GLU 102 N -2.00 3.78 0.31 -3.48 2.12 -1.26 -4.87 118.70 113.30 1r27 s GLU 102 Ca 0.00 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1r27 s GLU 102 Cb 0.00 -3.84 -0.12 0.00 0.26 0.00 0.00 34.13 30.43 1r27 s GLU 102 CO 0.00 -1.11 1.57 -0.35 -0.54 0.00 0.00 175.26 174.84 1r27 n PRO 103 N 7.14 2.69 -4.43 4.30 -0.04 -1.26 -4.92 135.00 138.49 1r27 n PRO 103 Ca 0.09 0.96 -0.21 0.00 -0.04 0.00 0.00 63.50 64.30 1r27 n PRO 103 Cb 0.48 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 1r27 n PRO 103 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1r27 s PHE 104 N -0.23 1.90 0.29 0.54 -0.12 -1.26 -0.72 117.98 118.38 1r27 s PHE 104 Ca 0.62 -0.90 0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1r27 s PHE 104 Cb -0.49 -1.19 -0.01 0.00 -0.63 0.00 0.00 43.02 40.70 1r27 s PHE 104 CO 0.52 0.06 0.31 -3.47 -0.05 0.00 0.00 175.22 172.59 1r27 n ASP 105 N -0.62 -0.83 -4.06 1.98 -0.08 0.27 -4.79 116.55 108.42 1r27 n ASP 105 Ca -0.03 -2.81 -0.15 0.00 -1.51 0.00 0.00 54.79 50.29 1r27 n ASP 105 Cb 0.65 1.74 -0.12 0.00 2.34 0.00 0.00 41.12 45.73 1r27 n ASP 105 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1r27 s PHE 106 N -3.17 0.75 -1.44 -0.67 0.08 -1.26 -0.76 117.98 111.51 1r27 s PHE 106 Ca 0.31 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 1r27 s PHE 106 Cb 0.01 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1r27 s PHE 106 CO 0.22 -0.04 2.48 -0.25 -0.10 0.00 0.00 175.22 177.53 1r27 n ASP 107 N 1.78 5.70 -0.36 1.36 8.00 -0.39 -4.70 116.55 127.94 1r27 n ASP 107 Ca -0.20 -2.70 0.08 0.00 0.71 0.00 0.00 54.79 52.68 1r27 n ASP 107 Cb 0.55 -1.55 0.25 0.00 -0.02 0.00 0.00 41.12 40.35 1r27 n ASP 107 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1r27 h TYR 108 N 5.77 1.13 -0.15 1.24 0.05 -1.91 -1.68 116.97 121.43 1r27 h TYR 108 Ca 0.67 0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.53 1r27 h TYR 108 Cb 0.48 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1r27 h TYR 108 CO 1.64 0.44 0.21 1.96 -1.05 0.00 0.00 178.16 181.36 1r27 h GLN 109 N 0.98 0.00 0.00 4.88 1.08 -1.98 0.13 115.11 120.20 1r27 h GLN 109 Ca 0.50 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.68 1r27 h GLN 109 Cb 0.51 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1r27 h GLN 109 CO -0.27 0.00 -0.10 -0.97 -0.95 0.00 0.00 178.83 176.54 1r27 h ASN 110 N 0.00 0.00 0.53 1.46 -1.24 -1.62 0.15 115.58 114.86 1r27 h ASN 110 Ca 0.07 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.99 1r27 h ASN 110 Cb 0.50 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1r27 h ASN 110 CO -0.00 0.10 -0.41 -0.07 -1.29 0.00 0.00 177.43 175.77 1r27 h LEU 111 N 0.00 0.00 0.13 0.34 3.38 -0.90 -1.77 115.31 116.49 1r27 h LEU 111 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1r27 h LEU 111 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1r27 h LEU 111 CO 0.01 0.41 -1.78 0.45 0.09 0.00 0.00 178.44 177.62 1r27 h HIS 112 N 0.00 0.49 -0.53 1.13 3.86 -1.10 -3.40 115.15 115.60 1r27 h HIS 112 Ca -0.00 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1r27 h HIS 112 Cb 0.79 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1r27 h HIS 112 CO 0.00 1.70 0.00 0.25 0.86 0.00 0.00 177.93 180.74 1r27 n THR 113 N -3.67 0.69 -1.66 2.45 -2.24 0.34 -4.98 114.28 105.22 1r27 n THR 113 Ca -0.29 -0.82 -0.47 0.00 -2.27 0.00 0.00 64.05 60.20 1r27 n THR 113 Cb 1.00 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.93 1r27 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n ALA 114 N 1.50 0.92 -1.23 6.98 0.00 -0.67 -4.92 120.51 123.09 1r27 n ALA 114 Ca 0.21 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.79 1r27 n ALA 114 Cb 0.60 -2.29 0.10 0.00 0.00 0.00 0.00 19.45 17.86 1r27 n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r27 s PRO 115 N 0.53 2.09 0.63 0.00 0.04 -1.26 -4.99 135.00 132.04 1r27 s PRO 115 Ca 0.77 1.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 1r27 s PRO 115 Cb -0.72 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1r27 s PRO 115 CO 0.42 -1.75 1.31 -2.00 0.04 0.00 0.00 177.00 175.02 1r27 s GLU 116 N -4.90 2.67 -1.29 4.56 2.12 -1.26 -3.17 118.70 117.43 1r27 s GLU 116 Ca 0.62 2.10 -0.02 0.00 0.36 0.00 0.00 54.97 58.03 1r27 s GLU 116 Cb -0.17 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1r27 s GLU 116 CO 0.56 -1.52 0.23 0.41 -0.54 0.00 0.00 175.26 174.41 1r27 n GLY 117 N 0.86 -0.27 3.77 -1.50 0.00 -1.26 -4.97 105.19 101.83 1r27 n GLY 117 Ca 0.15 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1r27 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r27 s SER 118 N -2.52 6.57 0.52 1.61 0.01 -1.19 -4.91 113.70 113.78 1r27 s SER 118 Ca 0.12 2.70 0.31 0.00 1.31 0.00 0.00 55.95 60.38 1r27 s SER 118 Cb -0.05 -2.65 1.22 0.00 0.21 0.00 0.00 66.02 64.75 1r27 s SER 118 CO 0.14 -0.68 1.93 0.11 0.41 0.00 0.00 173.24 175.16 1r27 h LYS 119 N 3.08 0.00 -4.26 12.44 6.56 -1.93 -3.46 116.57 129.00 1r27 h LYS 119 Ca -0.49 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.91 1r27 h LYS 119 Cb 1.23 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.77 1r27 h LYS 119 CO 0.64 0.05 -0.43 -1.54 -2.06 0.00 0.00 179.45 176.11 1r27 s SER 120 N -5.84 0.12 0.08 0.86 1.04 -1.26 -5.12 113.70 103.58 1r27 s SER 120 Ca 0.01 -1.24 -0.31 0.00 0.48 0.00 0.00 55.95 54.89 1r27 s SER 120 Cb 0.09 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 1r27 s SER 120 CO 0.57 -0.96 1.59 -1.58 0.98 0.00 0.00 173.24 173.84 1r27 s GLN 121 N -4.07 4.22 0.51 4.02 0.74 -1.26 -4.95 119.66 118.87 1r27 s GLN 121 Ca 0.33 2.28 -0.22 0.00 0.05 0.00 0.00 55.36 57.79 1r27 s GLN 121 Cb 0.04 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 1r27 s GLN 121 CO 0.12 -0.68 1.25 -2.30 -0.55 0.00 0.00 175.29 173.13 1r27 n PRO 122 N 5.20 1.62 -4.10 1.67 -0.02 -1.26 -5.03 135.00 133.09 1r27 n PRO 122 Ca 0.15 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1r27 n PRO 122 Cb 0.41 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1r27 n PRO 122 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1r27 s ILE 123 N -1.30 0.35 -0.44 4.25 1.10 -1.26 -4.93 121.20 118.97 1r27 s ILE 123 Ca 0.69 -1.69 -0.12 0.00 -0.51 0.00 0.00 60.65 59.02 1r27 s ILE 123 Cb -0.45 -1.35 0.08 0.00 0.15 0.00 0.00 42.46 40.88 1r27 s ILE 123 CO 0.52 -0.87 0.31 0.00 -2.11 0.00 0.00 174.94 172.79 1r27 s ALA 124 N -3.39 3.40 0.41 1.50 0.00 -1.26 -4.69 121.76 117.74 1r27 s ALA 124 Ca 0.04 -2.14 -0.08 0.00 0.00 0.00 0.00 51.96 49.78 1r27 s ALA 124 Cb 0.04 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1r27 s ALA 124 CO -0.07 -1.68 0.74 1.03 0.00 0.00 0.00 175.76 175.78 1r27 s ARG 125 N 1.51 3.69 0.59 0.00 0.52 -1.26 -4.57 118.95 119.41 1r27 s ARG 125 Ca 0.03 0.32 -0.18 0.00 -0.52 0.00 0.00 55.73 55.39 1r27 s ARG 125 Cb -0.24 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1r27 s ARG 125 CO 0.04 -0.05 1.12 -1.25 0.02 0.00 0.00 175.30 175.18 1r27 s PRO 126 N -4.08 3.15 -0.11 3.54 0.04 -1.26 -1.26 135.00 135.02 1r27 s PRO 126 Ca 0.49 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1r27 s PRO 126 Cb -0.10 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1r27 s PRO 126 CO 0.35 -0.99 0.27 0.50 0.04 0.00 0.00 177.00 177.17 1r27 s ARG 127 N -3.59 0.29 0.23 4.56 3.52 0.06 -1.99 118.95 122.03 1r27 s ARG 127 Ca 0.70 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 1r27 s ARG 127 Cb -0.22 0.05 -0.10 0.00 -1.56 0.00 0.00 34.95 33.12 1r27 s ARG 127 CO 0.32 -0.09 1.46 0.45 -0.81 0.00 0.00 175.30 176.63 1r27 s SER 128 N 0.61 6.65 0.07 -2.12 0.15 -0.00 -0.57 113.70 118.49 1r27 s SER 128 Ca -0.04 2.65 0.27 0.00 0.70 0.00 0.00 55.95 59.53 1r27 s SER 128 Cb -0.05 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.55 1r27 s SER 128 CO -0.04 -0.72 1.74 0.18 1.20 0.00 0.00 173.24 175.61 1r27 n LEU 129 N 2.65 0.38 -0.07 3.45 4.77 0.11 -0.93 117.00 127.35 1r27 n LEU 129 Ca 0.08 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.42 1r27 n LEU 129 Cb 0.40 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1r27 n LEU 129 CO 0.61 -0.04 -0.32 0.40 -1.33 0.00 0.00 177.39 176.71 1r27 h ILE 130 N 0.00 0.08 0.00 -0.08 1.08 -1.91 -3.42 117.51 113.26 1r27 h ILE 130 Ca 0.00 -1.10 -0.18 0.00 -0.39 0.00 0.00 64.86 63.19 1r27 h ILE 130 Cb 0.59 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1r27 h ILE 130 CO 0.00 0.03 -1.29 0.71 -0.69 0.00 0.00 178.15 176.91 1r27 h THR 131 N -1.00 0.70 0.00 -0.27 1.35 -1.94 -3.48 112.91 108.27 1r27 h THR 131 Ca -0.03 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1r27 h THR 131 Cb 0.52 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1r27 h THR 131 CO -0.02 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 1r27 n GLY 132 N 1.39 0.57 3.95 5.82 0.00 -0.11 -5.01 105.19 111.79 1r27 n GLY 132 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1r27 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 133 N -0.09 3.47 0.42 1.61 2.02 -1.26 -4.73 118.70 120.14 1r27 s GLU 133 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.19 1r27 s GLU 133 Cb 0.00 -2.85 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 1r27 s GLU 133 CO 0.00 0.39 1.43 -2.13 0.02 0.00 0.00 175.26 174.97 1r27 n ARG 134 N -1.12 2.38 -4.53 1.61 3.00 -1.26 -0.82 116.66 115.91 1r27 n ARG 134 Ca -0.07 0.84 -0.33 0.00 -0.00 0.00 0.00 57.85 58.29 1r27 n ARG 134 Cb 0.55 -2.61 -0.13 0.00 0.00 0.00 0.00 32.46 30.27 1r27 n ARG 134 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1r27 s MET 135 N -2.28 3.56 0.30 -0.14 -1.94 -0.84 -4.79 119.30 113.18 1r27 s MET 135 Ca 0.58 -0.58 0.12 0.00 -1.71 0.00 0.00 55.69 54.10 1r27 s MET 135 Cb -0.47 -2.81 0.45 0.00 2.01 0.00 0.00 34.83 34.01 1r27 s MET 135 CO 0.60 0.22 1.66 0.00 -0.01 0.00 0.00 175.02 177.50 1r27 h ALA 136 N 6.73 1.05 -1.72 3.03 0.00 -1.94 -3.41 119.26 123.00 1r27 h ALA 136 Ca -0.29 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1r27 h ALA 136 Cb 1.20 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.66 1r27 h ALA 136 CO 0.60 0.69 0.37 0.21 0.00 0.00 0.00 179.25 181.12 1r27 s LYS 137 N -3.71 0.66 -0.24 0.00 2.20 -1.26 -5.05 119.74 112.34 1r27 s LYS 137 Ca -0.01 0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 1r27 s LYS 137 Cb 0.13 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1r27 s LYS 137 CO 0.75 -0.12 0.65 0.42 -0.36 0.00 0.00 175.35 176.68 1r27 s ILE 138 N -0.17 4.98 -0.50 5.43 1.01 -1.26 -4.91 121.20 125.78 1r27 s ILE 138 Ca -0.00 1.19 0.07 0.00 0.00 0.00 0.00 60.65 61.90 1r27 s ILE 138 Cb -0.04 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1r27 s ILE 138 CO -0.01 0.04 0.42 -0.62 0.00 0.00 0.00 174.94 174.76 1r27 n GLU 139 N 5.58 3.40 -3.68 2.79 1.02 -1.26 -5.04 120.64 123.45 1r27 n GLU 139 Ca -0.00 -0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 56.73 1r27 n GLU 139 Cb 0.49 -0.91 -0.07 0.00 -0.02 0.00 0.00 31.44 30.93 1r27 n GLU 139 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1r27 s LYS 140 N -1.34 0.89 0.19 3.49 2.47 -1.26 -5.13 119.74 119.06 1r27 s LYS 140 Ca 0.04 -0.37 -0.15 0.00 -1.56 0.00 0.00 55.97 53.93 1r27 s LYS 140 Cb 0.05 0.40 0.02 0.00 -1.46 0.00 0.00 37.83 36.83 1r27 s LYS 140 CO 0.22 -0.30 0.46 0.20 0.16 0.00 0.00 175.35 176.10 1r27 s GLY 141 N -1.97 0.11 0.17 5.54 0.00 -1.26 -4.66 107.32 105.26 1r27 s GLY 141 Ca -0.06 -0.46 0.21 0.00 0.00 0.00 0.00 44.72 44.41 1r27 s GLY 141 CO -0.02 -0.44 1.63 -1.55 0.00 0.00 0.00 173.10 172.72 1r27 n PRO 142 N -0.32 0.13 -1.61 2.90 -0.04 -1.26 -3.10 135.00 131.70 1r27 n PRO 142 Ca -0.08 0.37 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1r27 n PRO 142 Cb 0.62 -1.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1r27 n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1r27 n ASN 143 N -1.99 1.67 -0.08 3.54 4.05 -1.26 -4.72 115.26 116.47 1r27 n ASN 143 Ca 0.03 -2.62 0.19 0.00 0.45 0.00 0.00 54.58 52.63 1r27 n ASN 143 Cb 0.21 -0.39 0.63 0.00 1.23 0.00 0.00 39.78 41.45 1r27 n ASN 143 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 177.26 173.96 1r27 h TRP 144 N 1.44 0.17 -0.40 1.20 2.91 -1.94 -1.90 115.95 117.44 1r27 h TRP 144 Ca -0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1r27 h TRP 144 Cb 1.53 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 30.12 1r27 h TRP 144 CO 0.45 0.06 0.00 0.39 -1.03 0.00 0.00 178.44 178.31 1r27 n GLU 145 N -4.40 2.11 -1.56 2.65 1.02 -1.26 -4.66 120.64 114.53 1r27 n GLU 145 Ca 0.12 -1.52 -0.50 0.00 -0.02 0.00 0.00 57.16 55.25 1r27 n GLU 145 Cb 0.62 -1.40 -0.04 0.00 -0.02 0.00 0.00 31.44 30.60 1r27 n GLU 145 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r27 n ASP 146 N 0.66 1.05 -3.93 1.62 2.03 -0.72 -2.46 116.55 114.80 1r27 n ASP 146 Ca 0.14 1.14 -0.30 0.00 0.52 0.00 0.00 54.79 56.29 1r27 n ASP 146 Cb 0.40 -1.17 -0.01 0.00 -0.72 0.00 0.00 41.12 39.63 1r27 n ASP 146 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1r27 n ASP 147 N 1.99 -1.87 -3.76 1.67 8.00 -1.26 -2.06 116.55 119.26 1r27 n ASP 147 Ca 0.16 -1.07 -0.27 0.00 0.71 0.00 0.00 54.79 54.32 1r27 n ASP 147 Cb 0.23 -2.84 0.05 0.00 -0.02 0.00 0.00 41.12 38.53 1r27 n ASP 147 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1r27 n LEU 148 N -4.44 -2.97 -4.57 0.64 4.77 -1.05 -4.93 117.00 104.45 1r27 n LEU 148 Ca -0.24 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 1r27 n LEU 148 Cb 0.65 -2.79 -0.03 0.00 -2.33 0.00 0.00 43.42 38.92 1r27 n LEU 148 CO 0.74 0.56 0.98 -0.83 -1.33 0.00 0.00 177.39 177.52 1r27 s GLY 149 N -3.32 1.23 0.00 -0.72 0.00 -0.87 -4.83 107.32 98.80 1r27 s GLY 149 Ca 0.62 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1r27 s GLY 149 CO 0.78 2.37 0.00 0.61 0.00 0.00 0.00 173.10 176.86 1r27 n GLY 150 N 5.04 4.08 3.69 0.20 0.00 -1.26 -4.37 105.19 112.58 1r27 n GLY 150 Ca 0.07 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 1r27 n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 151 N -1.63 2.15 -0.15 1.61 4.71 -1.26 -4.81 120.64 121.26 1r27 n GLU 151 Ca 0.00 0.76 -0.03 0.00 -0.01 0.00 0.00 57.16 57.88 1r27 n GLU 151 Cb 0.00 -2.43 0.06 0.00 -1.01 0.00 0.00 31.44 28.06 1r27 n GLU 151 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1r27 h PHE 152 N 4.04 0.26 -0.01 -0.32 3.57 -1.97 -0.81 116.94 121.69 1r27 h PHE 152 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1r27 h PHE 152 Cb 1.27 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1r27 h PHE 152 CO 0.56 0.07 0.10 -0.44 -2.23 0.00 0.00 178.31 176.37 1r27 h ASP 153 N 0.31 0.00 0.18 0.41 3.32 -1.97 0.90 116.42 119.57 1r27 h ASP 153 Ca 0.23 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.94 1r27 h ASP 153 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1r27 h ASP 153 CO -0.25 0.00 -1.70 0.50 -1.72 0.00 0.00 179.24 176.06 1r27 h LYS 154 N 0.00 0.38 -0.09 3.56 3.64 -1.53 -3.32 116.57 119.21 1r27 h LYS 154 Ca 0.00 -0.66 -0.13 0.00 -1.27 0.00 0.00 60.65 58.60 1r27 h LYS 154 Cb 0.21 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1r27 h LYS 154 CO -0.00 1.31 -0.51 -0.07 -2.27 0.00 0.00 179.45 177.92 1r27 h LEU 155 N 0.06 0.25 0.00 5.20 3.38 -0.33 -2.97 115.31 120.90 1r27 h LEU 155 Ca -0.34 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1r27 h LEU 155 Cb 2.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1r27 h LEU 155 CO 0.17 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.42 1r27 n ALA 156 N -2.47 1.76 1.42 1.53 0.00 0.29 -1.92 120.51 121.12 1r27 n ALA 156 Ca -0.02 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1r27 n ALA 156 Cb 0.55 -1.19 0.51 0.00 0.00 0.00 0.00 19.45 19.32 1r27 n ALA 156 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r27 n LYS 157 N -1.21 0.71 -1.63 0.00 5.02 -1.12 -4.77 118.16 115.15 1r27 n LYS 157 Ca 0.06 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.82 1r27 n LYS 157 Cb 0.08 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1r27 n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r27 n ASP 158 N -0.88 1.96 0.23 4.39 -0.08 -0.81 -4.83 116.55 116.54 1r27 n ASP 158 Ca 0.13 1.10 0.14 0.00 -1.51 0.00 0.00 54.79 54.65 1r27 n ASP 158 Cb 0.06 -1.18 0.79 0.00 2.34 0.00 0.00 41.12 43.12 1r27 n ASP 158 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1r27 h LYS 159 N 5.56 0.00 0.00 -0.67 1.63 -1.87 -1.31 116.57 119.91 1r27 h LYS 159 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1r27 h LYS 159 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1r27 h LYS 159 CO 0.84 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.93 1r27 n ASN 160 N -4.10 0.00 -0.53 4.20 5.03 -1.26 -2.05 115.26 116.55 1r27 n ASN 160 Ca -0.01 0.28 0.09 0.00 0.87 0.00 0.00 54.58 55.81 1r27 n ASN 160 Cb 0.20 -0.40 0.33 0.00 -1.02 0.00 0.00 39.78 38.89 1r27 n ASN 160 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1r27 n PHE 161 N -1.40 0.25 -1.74 3.10 0.99 -0.50 -4.60 117.46 113.57 1r27 n PHE 161 Ca 0.06 -0.12 -0.42 0.00 -0.00 0.00 0.00 57.45 56.97 1r27 n PHE 161 Cb 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.65 1r27 n PHE 161 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1r27 n ASP 162 N 0.28 3.79 -0.37 4.37 9.92 -0.87 -1.83 116.55 131.83 1r27 n ASP 162 Ca 0.15 1.14 -0.05 0.00 -0.53 0.00 0.00 54.79 55.50 1r27 n ASP 162 Cb 0.30 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.18 1r27 n ASP 162 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1r27 n ASN 163 N 2.28 -4.50 -4.30 -2.24 3.02 -1.26 -5.00 115.26 103.26 1r27 n ASN 163 Ca 0.09 0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 1r27 n ASN 163 Cb 0.36 -2.43 -0.16 0.00 -0.61 0.00 0.00 39.78 36.95 1r27 n ASN 163 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1r27 s ILE 164 N -1.87 2.51 -0.69 2.41 1.01 -0.76 -5.05 121.20 118.75 1r27 s ILE 164 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1r27 s ILE 164 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1r27 s ILE 164 CO 0.00 0.55 1.94 -1.10 0.00 0.00 0.00 174.94 176.33 1r27 s GLN 165 N 0.21 2.54 0.10 2.79 1.11 -1.26 -4.85 119.66 120.30 1r27 s GLN 165 Ca -0.12 0.40 -0.16 0.00 0.01 0.00 0.00 55.36 55.49 1r27 s GLN 165 Cb -0.16 -4.61 -0.05 0.00 -1.01 0.00 0.00 33.01 27.18 1r27 s GLN 165 CO 0.06 -3.01 1.52 0.87 0.01 0.00 0.00 175.29 174.75 1r27 h LYS 166 N 14.14 0.60 0.00 2.91 1.57 -1.97 -3.39 116.57 130.44 1r27 h LYS 166 Ca -0.15 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1r27 h LYS 166 Cb 1.12 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1r27 h LYS 166 CO 1.21 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 180.85 1r27 n ALA 167 N -2.40 0.00 -0.23 3.86 0.00 -1.26 0.20 120.51 120.68 1r27 n ALA 167 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1r27 n ALA 167 Cb 0.30 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.16 1r27 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r27 h MET 168 N 0.00 0.61 0.00 0.00 -0.00 -2.00 -1.17 114.93 112.37 1r27 h MET 168 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1r27 h MET 168 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.46 1r27 h MET 168 CO 0.00 0.40 0.00 0.66 -0.00 0.00 0.00 176.91 177.97 1r27 n TYR 169 N -4.53 0.00 0.14 -0.10 4.02 0.13 -2.56 117.16 114.26 1r27 n TYR 169 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1r27 n TYR 169 Cb 0.46 -0.43 0.16 0.00 -0.02 0.00 0.00 39.34 39.50 1r27 n TYR 169 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r27 n SER 170 N -1.43 3.13 -4.30 7.72 2.88 -0.44 -4.59 113.62 116.59 1r27 n SER 170 Ca 0.06 -2.47 -0.32 0.00 -1.33 0.00 0.00 58.87 54.81 1r27 n SER 170 Cb 0.21 -0.60 -0.16 0.00 -0.75 0.00 0.00 64.21 62.92 1r27 n SER 170 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1r27 s GLN 171 N -1.70 2.65 0.18 -1.46 -0.21 -1.06 -5.05 119.66 113.01 1r27 s GLN 171 Ca 0.24 -0.86 -0.25 0.00 0.02 0.00 0.00 55.36 54.51 1r27 s GLN 171 Cb 0.19 -2.24 0.05 0.00 1.00 0.00 0.00 33.01 32.02 1r27 s GLN 171 CO 0.06 0.38 1.55 0.35 -2.12 0.00 0.00 175.29 175.52 1r27 h PHE 172 N 6.07 -1.50 -0.06 0.91 3.57 -1.89 -0.03 116.94 124.02 1r27 h PHE 172 Ca -0.32 0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.31 1r27 h PHE 172 Cb 1.18 0.78 -0.00 0.00 2.79 0.00 0.00 35.95 40.69 1r27 h PHE 172 CO 0.44 -0.40 0.29 1.05 -2.23 0.00 0.00 178.31 177.46 1r27 h GLU 173 N -0.06 0.00 -0.47 1.11 9.09 -1.96 -1.17 114.58 121.11 1r27 h GLU 173 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1r27 h GLU 173 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1r27 h GLU 173 CO -0.89 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.26 1r27 n ASN 174 N -3.08 3.66 -4.70 3.06 5.03 -0.03 -4.44 115.26 114.76 1r27 n ASN 174 Ca -0.01 -2.25 -0.41 0.00 0.87 0.00 0.00 54.58 52.78 1r27 n ASN 174 Cb 0.36 -0.40 0.01 0.00 -1.02 0.00 0.00 39.78 38.72 1r27 n ASN 174 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1r27 n THR 175 N 0.70 2.42 -3.66 3.41 -1.04 -0.44 -4.83 114.28 110.83 1r27 n THR 175 Ca 0.19 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 1r27 n THR 175 Cb 0.63 -1.58 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1r27 n THR 175 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1r27 s PHE 176 N -1.17 -0.33 -0.13 -1.42 -0.12 -1.26 -5.04 117.98 108.50 1r27 s PHE 176 Ca 0.59 0.47 -0.27 0.00 -0.05 0.00 0.00 56.93 57.68 1r27 s PHE 176 Cb -0.52 0.22 0.06 0.00 -0.63 0.00 0.00 43.02 42.16 1r27 s PHE 176 CO 0.59 -0.51 0.65 0.00 -0.05 0.00 0.00 175.22 175.89 1r27 s MET 177 N -1.71 0.92 0.28 1.99 0.23 -1.26 -4.52 119.30 115.22 1r27 s MET 177 Ca -0.10 0.49 0.04 0.00 -1.03 0.00 0.00 55.69 55.09 1r27 s MET 177 Cb -0.02 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.68 1r27 s MET 177 CO 0.03 -0.22 0.21 0.00 -2.03 0.00 0.00 175.02 173.01 1r27 s MET 178 N -0.59 1.52 -0.01 3.16 0.23 -0.21 -4.97 119.30 118.44 1r27 s MET 178 Ca -0.07 -1.86 0.07 0.00 -1.03 0.00 0.00 55.69 52.81 1r27 s MET 178 Cb -0.02 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1r27 s MET 178 CO 0.06 -0.54 -0.23 0.71 -2.03 0.00 0.00 175.02 172.99 1r27 s TYR 179 N -3.75 2.09 -0.49 3.16 1.51 -1.26 -0.54 117.35 118.07 1r27 s TYR 179 Ca 0.40 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 1r27 s TYR 179 Cb 0.04 -1.32 0.13 0.00 -0.11 0.00 0.00 41.96 40.70 1r27 s TYR 179 CO 0.21 -0.01 0.25 -1.17 -1.11 0.00 0.00 175.55 173.72 1r27 s LEU 180 N -0.68 3.75 0.34 -1.29 2.96 0.11 -4.96 118.68 118.92 1r27 s LEU 180 Ca 0.09 -2.88 -0.26 0.00 -0.22 0.00 0.00 54.13 50.86 1r27 s LEU 180 Cb -0.09 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 45.07 1r27 s LEU 180 CO -0.00 -0.24 1.02 -2.84 -1.32 0.00 0.00 176.35 172.96 1r27 s PRO 181 N -0.07 4.45 -0.05 0.98 0.02 -1.26 -2.18 135.00 136.90 1r27 s PRO 181 Ca 0.17 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 1r27 s PRO 181 Cb -0.25 -2.82 0.06 0.00 0.02 0.00 0.00 34.50 31.51 1r27 s PRO 181 CO 0.00 0.12 0.58 -0.98 -0.33 0.00 0.00 177.00 176.39 1r27 s ARG 182 N -2.03 0.95 0.00 5.54 1.70 0.04 -4.98 118.95 120.16 1r27 s ARG 182 Ca 0.51 0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.94 1r27 s ARG 182 Cb -0.23 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1r27 s ARG 182 CO 0.30 -0.28 0.00 1.47 -1.08 0.00 0.00 175.30 175.70 1r27 n LEU 183 N 1.07 0.00 -4.77 -1.89 -0.00 -1.26 -1.47 117.00 108.67 1r27 n LEU 183 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.43 1r27 n LEU 183 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1r27 n LEU 183 CO 0.23 0.00 0.76 0.00 -0.00 0.00 0.00 177.39 178.38 1r27 n GLU 185 N 0.60 0.07 -4.18 0.00 -0.58 -1.26 -4.84 120.64 110.45 1r27 n GLU 185 Ca 0.02 -0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1r27 n GLU 185 Cb 0.47 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 1r27 n GLU 185 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1r27 n HIS 186 N -1.45 -1.41 -1.08 -0.32 8.25 -1.26 -1.20 115.22 116.75 1r27 n HIS 186 Ca 0.07 0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 57.81 1r27 n HIS 186 Cb 0.33 -3.13 0.08 0.00 1.12 0.00 0.00 29.99 28.39 1r27 n HIS 186 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r27 h LEU 188 N -0.80 0.00 -5.75 0.00 3.38 -0.79 -3.35 115.31 107.99 1r27 h LEU 188 Ca -0.44 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.97 1r27 h LEU 188 Cb 1.33 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.67 1r27 h LEU 188 CO 0.38 0.37 -0.84 -3.20 0.09 0.00 0.00 178.44 175.24 1r27 n ASN 189 N -2.96 2.81 -4.68 -0.43 5.15 0.23 -5.02 115.26 110.36 1r27 n ASN 189 Ca -0.03 -3.33 -0.45 0.00 -0.60 0.00 0.00 54.58 50.17 1r27 n ASN 189 Cb 0.72 -0.61 -0.04 0.00 -0.53 0.00 0.00 39.78 39.32 1r27 n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r27 n PRO 190 N 0.32 2.40 0.11 1.20 -0.04 -1.26 -4.35 135.00 133.37 1r27 n PRO 190 Ca 0.28 0.87 -0.04 0.00 -0.04 0.00 0.00 63.50 64.57 1r27 n PRO 190 Cb 0.49 -2.70 0.06 0.00 -0.04 0.00 0.00 33.50 31.31 1r27 n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r27 h ALA 191 N 7.53 0.74 -0.34 0.55 0.00 -1.92 -3.23 119.26 122.58 1r27 h ALA 191 Ca -0.46 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 53.76 1r27 h ALA 191 Cb 1.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1r27 h ALA 191 CO 0.92 0.93 0.19 0.00 0.00 0.00 0.00 179.25 181.30 1r27 h VAL 193 N 0.43 1.18 0.00 0.00 2.07 -1.86 -2.01 116.25 116.06 1r27 h VAL 193 Ca 0.12 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1r27 h VAL 193 Cb 0.04 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1r27 h VAL 193 CO -0.02 0.20 -0.17 0.00 0.02 0.00 0.00 177.57 177.60 1r27 h ALA 194 N 1.49 0.95 -0.11 1.67 0.00 -1.48 -3.23 119.26 118.56 1r27 h ALA 194 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r27 h ALA 194 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1r27 h ALA 194 CO -0.08 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1r27 n THR 195 N -3.23 0.13 -3.79 0.00 -2.24 -0.57 -4.70 114.28 99.87 1r27 n THR 195 Ca 0.01 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1r27 n THR 195 Cb 0.47 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 69.39 1r27 n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 h PRO 197 N 8.09 0.00 0.00 0.00 0.11 -1.86 -2.53 132.00 135.81 1r27 h PRO 197 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1r27 h PRO 197 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1r27 h PRO 197 CO 0.65 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.25 1r27 n SER 198 N -4.37 0.48 -0.30 -2.05 3.41 -1.26 -4.92 113.62 104.61 1r27 n SER 198 Ca 0.05 0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 1r27 n SER 198 Cb 0.43 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1r27 n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r27 n GLY 199 N 1.39 0.43 0.23 5.00 0.00 -0.95 -4.91 105.19 106.38 1r27 n GLY 199 Ca 0.06 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.34 1r27 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h ALA 200 N 0.08 1.05 -3.10 4.61 0.00 -1.89 -3.42 119.26 116.59 1r27 h ALA 200 Ca -0.07 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.03 1r27 h ALA 200 Cb 0.63 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1r27 h ALA 200 CO 0.09 0.26 -0.49 0.42 0.00 0.00 0.00 179.25 179.54 1r27 s ILE 201 N -3.72 5.43 0.02 0.00 1.01 -1.26 0.16 121.20 122.84 1r27 s ILE 201 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 1r27 s ILE 201 Cb 0.11 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1r27 s ILE 201 CO 0.63 0.49 0.24 -0.72 0.00 0.00 0.00 174.94 175.58 1r27 s TYR 202 N -0.02 -0.05 -0.32 3.97 -0.85 -0.59 -4.78 117.35 114.71 1r27 s TYR 202 Ca 0.10 -0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.50 1r27 s TYR 202 Cb -0.11 0.03 -0.00 0.00 0.38 0.00 0.00 41.96 42.25 1r27 s TYR 202 CO -0.00 -0.41 0.16 0.21 -1.52 0.00 0.00 175.55 173.99 1r27 s LYS 203 N -2.00 3.30 0.34 -3.49 2.20 -1.26 -1.38 119.74 117.46 1r27 s LYS 203 Ca -0.09 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.49 1r27 s LYS 203 Cb -0.03 -3.60 -0.12 0.00 -1.51 0.00 0.00 37.83 32.57 1r27 s LYS 203 CO -0.00 -0.44 1.32 0.54 -0.36 0.00 0.00 175.35 176.41 1r27 n ARG 204 N 4.99 2.21 0.07 4.03 1.74 -0.30 -4.87 116.66 124.54 1r27 n ARG 204 Ca -0.14 0.78 -0.12 0.00 -0.77 0.00 0.00 57.85 57.60 1r27 n ARG 204 Cb 0.49 -2.38 -0.04 0.00 -1.02 0.00 0.00 32.46 29.51 1r27 n ARG 204 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1r27 h GLU 205 N 2.67 0.34 -0.20 5.56 5.08 -1.96 -0.23 114.58 125.85 1r27 h GLU 205 Ca -0.47 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.40 1r27 h GLU 205 Cb 1.28 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1r27 h GLU 205 CO 0.63 1.07 -0.36 1.05 -1.00 0.00 0.00 179.01 180.40 1r27 h GLU 206 N 0.19 0.43 0.00 2.33 4.11 -1.91 -3.39 114.58 116.33 1r27 h GLU 206 Ca -0.07 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1r27 h GLU 206 Cb 1.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1r27 h GLU 206 CO 0.16 0.73 0.00 -0.40 0.07 0.00 0.00 179.01 179.57 1r27 n ASP 207 N -4.06 0.04 0.00 3.06 5.68 -1.25 -4.55 116.55 115.47 1r27 n ASP 207 Ca -0.01 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1r27 n ASP 207 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1r27 n ASP 207 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r27 n GLY 208 N -0.01 0.46 3.70 6.12 0.00 -0.10 -3.98 105.19 111.39 1r27 n GLY 208 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1r27 n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 209 N -2.24 3.53 -0.19 -0.61 1.01 -1.26 -4.54 121.20 116.89 1r27 s ILE 209 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.48 1r27 s ILE 209 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1r27 s ILE 209 CO 0.00 0.03 0.52 -0.69 0.00 0.00 0.00 174.94 174.81 1r27 s VAL 210 N 1.84 5.11 0.13 2.92 1.01 -1.26 -1.15 120.40 129.00 1r27 s VAL 210 Ca 0.64 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.65 1r27 s VAL 210 Cb -0.34 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1r27 s VAL 210 CO 0.28 0.18 -0.13 -0.76 0.00 0.00 0.00 175.10 174.68 1r27 s LEU 211 N 1.58 2.44 -0.31 3.92 1.43 -0.48 -4.77 118.68 122.49 1r27 s LEU 211 Ca 0.24 -0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 1r27 s LEU 211 Cb -0.15 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1r27 s LEU 211 CO 0.10 -0.19 0.09 -0.63 0.23 0.00 0.00 176.35 175.95 1r27 s ILE 212 N -2.44 3.88 -0.21 -0.59 1.01 -1.26 -1.55 121.20 120.04 1r27 s ILE 212 Ca 0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1r27 s ILE 212 Cb -0.03 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1r27 s ILE 212 CO 0.03 -0.04 2.05 -0.62 0.00 0.00 0.00 174.94 176.36 1r27 s ASP 213 N 1.46 5.75 0.38 3.58 -1.08 0.12 -4.86 116.67 122.02 1r27 s ASP 213 Ca 0.01 1.84 0.09 0.00 -0.52 0.00 0.00 52.55 53.97 1r27 s ASP 213 Cb -0.18 -2.52 0.76 0.00 -1.46 0.00 0.00 42.92 39.52 1r27 s ASP 213 CO 0.03 -1.73 1.92 1.56 0.52 0.00 0.00 175.17 177.46 1r27 h GLN 214 N 13.67 0.30 -0.36 4.34 1.08 -1.92 -1.36 115.11 130.85 1r27 h GLN 214 Ca -0.40 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 56.58 1r27 h GLN 214 Cb 1.22 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1r27 h GLN 214 CO 0.98 0.40 -0.40 -0.44 -0.95 0.00 0.00 178.83 178.41 1r27 h ASP 215 N 0.28 0.95 1.38 1.46 3.32 -1.98 -3.27 116.42 118.56 1r27 h ASP 215 Ca 0.06 -0.44 -0.12 0.00 0.02 0.00 0.00 57.03 56.55 1r27 h ASP 215 Cb 0.34 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1r27 h ASP 215 CO 0.02 1.23 -0.57 0.11 -1.72 0.00 0.00 179.24 178.30 1r27 h LYS 216 N 0.72 0.00 -6.85 3.56 1.57 -1.87 -3.46 116.57 110.24 1r27 h LYS 216 Ca 0.06 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 1r27 h LYS 216 Cb 0.99 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.38 1r27 h LYS 216 CO 0.10 0.57 0.79 0.00 -0.57 0.00 0.00 179.45 180.34 1r27 n ARG 218 N 1.46 2.21 -1.79 0.00 5.12 -1.26 -4.96 116.66 117.43 1r27 n ARG 218 Ca 0.04 -1.30 -0.07 0.00 -1.93 0.00 0.00 57.85 54.60 1r27 n ARG 218 Cb 0.39 -1.00 -0.01 0.00 -1.16 0.00 0.00 32.46 30.68 1r27 n ARG 218 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r27 n GLY 219 N -0.40 0.38 0.27 -0.13 0.00 -1.23 -4.93 105.19 99.15 1r27 n GLY 219 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1r27 n GLY 219 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r27 h TRP 220 N 0.00 0.66 -0.07 1.61 6.55 -1.92 -3.47 115.95 119.31 1r27 h TRP 220 Ca -0.15 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.57 1r27 h TRP 220 Cb 0.87 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.97 1r27 h TRP 220 CO 0.18 0.66 -0.03 0.54 -1.05 0.00 0.00 178.44 178.75 1r27 n ARG 221 N -4.22 -0.93 0.17 0.49 1.74 -1.26 -4.78 116.66 107.87 1r27 n ARG 221 Ca 0.02 0.33 0.04 0.00 -0.77 0.00 0.00 57.85 57.46 1r27 n ARG 221 Cb 0.30 -4.08 0.44 0.00 -1.02 0.00 0.00 32.46 28.10 1r27 n ARG 221 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1r27 h MET 222 N 0.45 0.13 -0.50 5.56 2.86 -1.89 -2.47 114.93 119.07 1r27 h MET 222 Ca -0.03 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1r27 h MET 222 Cb 0.51 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1r27 h MET 222 CO 0.04 0.28 0.33 0.00 1.06 0.00 0.00 176.91 178.63 1r27 h ILE 224 N 0.52 1.26 -0.14 0.00 2.04 -1.75 -1.10 117.51 118.35 1r27 h ILE 224 Ca 0.21 -0.98 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 1r27 h ILE 224 Cb 0.17 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1r27 h ILE 224 CO -0.05 0.37 -0.46 0.74 0.00 0.00 0.00 178.15 178.75 1r27 h THR 225 N 0.99 1.35 -0.82 -0.27 2.02 -1.43 -3.31 112.91 111.45 1r27 h THR 225 Ca 0.20 -1.75 0.06 0.00 0.77 0.00 0.00 66.41 65.69 1r27 h THR 225 Cb 0.40 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 1r27 h THR 225 CO 0.01 0.53 0.50 1.23 0.37 0.00 0.00 175.52 178.16 1r27 h GLY 226 N 0.18 1.22 -5.93 2.16 0.00 -0.38 -3.20 103.07 97.13 1r27 h GLY 226 Ca -0.02 -0.36 -0.56 0.00 0.00 0.00 0.00 47.33 46.38 1r27 h GLY 226 CO 0.10 0.25 1.10 0.00 0.00 0.00 0.00 176.54 178.00 1r27 n PRO 228 N 7.54 0.10 0.00 0.00 -0.04 -1.26 -1.94 135.00 139.39 1r27 n PRO 228 Ca 0.18 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 1r27 n PRO 228 Cb 0.45 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1r27 n PRO 228 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r27 n TYR 229 N -1.86 0.00 -4.03 0.54 4.01 -1.26 -4.66 117.16 109.90 1r27 n TYR 229 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 1r27 n TYR 229 Cb 0.24 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1r27 n TYR 229 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1r27 n LYS 230 N 1.10 -2.66 -0.43 -0.72 4.76 -0.82 -4.88 118.16 114.50 1r27 n LYS 230 Ca 0.14 0.33 0.09 0.00 -2.87 0.00 0.00 58.31 55.99 1r27 n LYS 230 Cb 0.56 -4.27 0.28 0.00 -1.84 0.00 0.00 35.03 29.77 1r27 n LYS 230 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1r27 n LYS 231 N -4.45 3.24 -4.51 1.97 4.76 -1.26 -4.75 118.16 113.16 1r27 n LYS 231 Ca -0.31 -2.62 -0.33 0.00 -2.87 0.00 0.00 58.31 52.17 1r27 n LYS 231 Cb 0.69 -1.67 -0.13 0.00 -1.84 0.00 0.00 35.03 32.07 1r27 n LYS 231 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1r27 s ILE 232 N -1.62 3.40 0.01 -0.18 1.01 -1.26 -4.28 121.20 118.28 1r27 s ILE 232 Ca 0.42 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1r27 s ILE 232 Cb 0.26 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1r27 s ILE 232 CO 0.21 0.50 -0.23 -0.31 0.00 0.00 0.00 174.94 175.11 1r27 s TYR 233 N 0.52 2.43 0.04 3.97 1.51 0.29 -4.80 117.35 121.32 1r27 s TYR 233 Ca -0.06 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1r27 s TYR 233 Cb -0.15 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1r27 s TYR 233 CO 0.03 0.11 1.01 0.12 -1.11 0.00 0.00 175.55 175.71 1r27 s PHE 234 N -0.76 3.67 -0.65 2.71 5.36 -1.26 -0.60 117.98 126.45 1r27 s PHE 234 Ca 0.12 1.67 -0.19 0.00 -0.96 0.00 0.00 56.93 57.57 1r27 s PHE 234 Cb -0.10 -3.15 0.11 0.00 -0.34 0.00 0.00 43.02 39.54 1r27 s PHE 234 CO 0.02 -0.14 0.79 1.21 -1.46 0.00 0.00 175.22 175.64 1r27 s ASN 235 N 0.73 6.25 0.61 6.13 3.84 0.12 -4.82 114.94 127.80 1r27 s ASN 235 Ca 0.51 -1.48 0.41 0.00 0.21 0.00 0.00 52.86 52.51 1r27 s ASN 235 Cb -0.23 -2.33 2.22 0.00 -0.55 0.00 0.00 41.25 40.36 1r27 s ASN 235 CO 0.29 -1.14 2.25 4.11 -2.79 0.00 0.00 177.10 179.82 1r27 h TRP 236 N 9.15 0.00 0.11 0.43 5.08 -1.79 0.12 115.95 129.04 1r27 h TRP 236 Ca -0.23 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.40 1r27 h TRP 236 Cb 1.08 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.22 1r27 h TRP 236 CO 0.90 0.00 -1.86 -0.22 -1.28 0.00 0.00 178.44 175.98 1r27 h LYS 237 N 0.00 0.23 0.00 0.12 3.64 -1.84 -3.37 116.57 115.35 1r27 h LYS 237 Ca 0.00 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1r27 h LYS 237 Cb 0.00 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1r27 h LYS 237 CO 0.00 1.08 -0.97 0.66 -2.27 0.00 0.00 179.45 177.95 1r27 h SER 238 N 0.06 0.00 -0.01 4.20 4.64 -1.81 -3.48 113.55 117.15 1r27 h SER 238 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1r27 h SER 238 Cb 2.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1r27 h SER 238 CO 0.11 0.08 -0.01 0.61 -0.87 0.00 0.00 176.83 176.75 1r27 n GLY 239 N 1.20 0.46 3.40 -0.77 0.00 0.39 -5.03 105.19 104.84 1r27 n GLY 239 Ca -0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 1r27 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 240 N -1.04 1.48 0.09 1.61 1.02 -1.21 -3.58 119.74 118.12 1r27 s LYS 240 Ca 0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 55.97 54.25 1r27 s LYS 240 Cb 0.00 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 1r27 s LYS 240 CO 0.00 0.13 0.30 -1.12 -0.92 0.00 0.00 175.35 173.74 1r27 s SER 241 N -3.40 6.45 0.12 2.83 0.01 -1.26 0.11 113.70 118.56 1r27 s SER 241 Ca 0.27 0.49 0.02 0.00 1.31 0.00 0.00 55.95 58.04 1r27 s SER 241 Cb 0.01 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1r27 s SER 241 CO 0.10 0.13 -0.06 -1.61 0.41 0.00 0.00 173.24 172.21 1r27 s GLU 242 N -2.43 0.94 0.30 12.44 2.02 0.24 -4.90 118.70 127.30 1r27 s GLU 242 Ca 0.36 -1.40 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 1r27 s GLU 242 Cb -0.13 -0.30 0.02 0.00 0.10 0.00 0.00 34.13 33.82 1r27 s GLU 242 CO 0.24 -0.02 0.65 -1.59 0.02 0.00 0.00 175.26 174.56 1r27 s LYS 243 N -3.83 1.84 0.22 1.61 -2.85 -1.26 -0.55 119.74 114.91 1r27 s LYS 243 Ca 0.15 -1.22 -0.32 0.00 -1.00 0.00 0.00 55.97 53.58 1r27 s LYS 243 Cb 0.05 0.57 -0.13 0.00 -2.06 0.00 0.00 37.83 36.25 1r27 s LYS 243 CO -0.02 -0.82 1.56 0.00 0.10 0.00 0.00 175.35 176.17 1r27 n ILE 245 N 2.82 1.63 -3.27 0.00 -5.35 -1.26 -4.89 119.36 109.04 1r27 n ILE 245 Ca 0.13 -1.24 -0.21 0.00 -0.27 0.00 0.00 62.75 61.16 1r27 n ILE 245 Cb 0.32 0.19 -0.01 0.00 -1.74 0.00 0.00 39.64 38.41 1r27 n ILE 245 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1r27 n PHE 246 N 0.76 -1.73 -4.38 4.28 7.35 -1.26 -1.87 117.46 120.62 1r27 n PHE 246 Ca 0.22 0.40 -0.35 0.00 -0.76 0.00 0.00 57.45 56.95 1r27 n PHE 246 Cb 0.75 -2.72 -0.09 0.00 0.35 0.00 0.00 39.48 37.78 1r27 n PHE 246 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r27 h TYR 248 N -1.49 0.36 -0.00 0.00 -0.00 -1.80 0.27 116.97 114.32 1r27 h TYR 248 Ca -0.64 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.10 1r27 h TYR 248 Cb 1.40 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 38.02 1r27 h TYR 248 CO 0.58 0.08 0.00 -1.35 -0.00 0.00 0.00 178.16 177.48 1r27 h PRO 249 N 0.26 0.00 0.13 0.10 0.11 -1.88 0.89 132.00 131.61 1r27 h PRO 249 Ca 0.47 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.24 1r27 h PRO 249 Cb 1.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 1r27 h PRO 249 CO -0.13 0.00 -1.85 0.00 -0.21 0.00 0.00 178.00 175.81 1r27 h ARG 250 N 0.00 0.27 -0.85 1.05 3.08 -0.82 -3.32 114.38 113.78 1r27 h ARG 250 Ca 0.00 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1r27 h ARG 250 Cb 0.01 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1r27 h ARG 250 CO -0.00 1.15 0.43 0.82 -1.07 0.00 0.00 179.97 181.30 1r27 h ILE 251 N 0.07 1.26 0.00 2.04 1.08 -0.93 0.20 117.51 121.23 1r27 h ILE 251 Ca -0.37 -0.69 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1r27 h ILE 251 Cb 2.05 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1r27 h ILE 251 CO 0.12 0.30 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.54 1r27 h GLU 252 N 1.20 0.00 -0.61 2.37 5.08 -0.97 -1.27 114.58 120.39 1r27 h GLU 252 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1r27 h GLU 252 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1r27 h GLU 252 CO -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1r27 n ALA 253 N -2.12 2.49 -2.02 3.43 0.00 -0.52 -1.28 120.51 120.48 1r27 n ALA 253 Ca -0.02 -1.36 -0.06 0.00 0.00 0.00 0.00 53.44 52.00 1r27 n ALA 253 Cb 0.14 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 1r27 n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 254 N 1.19 0.20 3.58 0.00 0.00 -0.48 -4.69 105.19 105.00 1r27 n GLY 254 Ca 0.22 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1r27 n GLY 254 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 255 N -4.12 2.08 0.88 1.61 -1.52 -0.05 -4.72 119.66 113.82 1r27 s GLN 255 Ca 0.00 -1.44 -0.12 0.00 -1.95 0.00 0.00 55.36 51.85 1r27 s GLN 255 Cb 0.00 -2.08 0.12 0.00 -0.22 0.00 0.00 33.01 30.83 1r27 s GLN 255 CO 0.00 0.38 1.10 -2.14 -0.25 0.00 0.00 175.29 174.38 1r27 s PRO 256 N -3.36 1.42 0.76 2.91 0.02 -1.26 -3.60 135.00 131.89 1r27 s PRO 256 Ca 0.29 0.67 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 1r27 s PRO 256 Cb -0.07 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.66 1r27 s PRO 256 CO 0.17 -2.09 1.08 0.95 -0.33 0.00 0.00 177.00 176.78 1r27 s THR 257 N -3.05 3.48 0.18 0.99 -4.23 -1.26 -4.70 115.64 107.06 1r27 s THR 257 Ca 0.63 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 61.49 1r27 s THR 257 Cb -0.17 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1r27 s THR 257 CO 0.56 -0.63 1.81 0.58 -0.54 0.00 0.00 174.62 176.40 1r27 h VAL 258 N -1.03 1.04 0.00 2.29 2.07 -1.94 -2.02 116.25 116.66 1r27 h VAL 258 Ca -0.44 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1r27 h VAL 258 Cb 1.23 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1r27 h VAL 258 CO 0.54 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 178.14 1r27 h SER 260 N 0.00 0.00 0.33 0.00 0.02 -1.75 -3.11 113.55 109.03 1r27 h SER 260 Ca -0.00 -0.97 -0.06 0.00 -0.84 0.00 0.00 61.79 59.93 1r27 h SER 260 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1r27 h SER 260 CO 0.01 1.01 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.36 1r27 h GLU 261 N -1.00 0.00 -0.30 3.45 4.81 -1.32 -2.70 114.58 117.52 1r27 h GLU 261 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1r27 h GLU 261 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1r27 h GLU 261 CO -0.01 0.28 0.00 0.25 -0.73 0.00 0.00 179.01 178.80 1r27 n THR 262 N -4.08 0.39 -2.05 0.32 -2.24 -0.52 -4.88 114.28 101.22 1r27 n THR 262 Ca -0.02 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1r27 n THR 262 Cb 0.34 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1r27 n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 h VAL 264 N 6.75 1.19 0.00 0.00 2.07 -1.90 -2.51 116.25 121.84 1r27 h VAL 264 Ca -0.33 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1r27 h VAL 264 Cb 1.16 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1r27 h VAL 264 CO 1.04 0.22 0.00 0.61 0.02 0.00 0.00 177.57 179.46 1r27 n GLY 265 N -1.14 -1.44 3.38 2.17 0.00 -1.26 -4.93 105.19 101.97 1r27 n GLY 265 Ca 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 266 N -1.72 -6.57 -0.00 1.61 1.74 -0.95 -4.92 116.66 105.85 1r27 n ARG 266 Ca 0.06 0.83 0.06 0.00 -0.77 0.00 0.00 57.85 58.03 1r27 n ARG 266 Cb 0.32 -5.79 -0.08 0.00 -1.02 0.00 0.00 32.46 25.89 1r27 n ARG 266 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1r27 n ILE 267 N -4.12 0.00 -3.57 0.55 -5.35 -1.26 -4.98 119.36 100.62 1r27 n ILE 267 Ca -0.26 -0.21 -0.37 0.00 -0.27 0.00 0.00 62.75 61.64 1r27 n ILE 267 Cb 0.66 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.32 1r27 n ILE 267 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1r27 s ARG 268 N -2.39 4.16 -0.04 6.28 0.52 -1.26 -0.52 118.95 125.70 1r27 s ARG 268 Ca 0.03 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.40 1r27 s ARG 268 Cb 0.10 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 1r27 s ARG 268 CO 0.55 0.33 -0.23 0.71 0.02 0.00 0.00 175.30 176.67 1r27 s TYR 269 N 0.20 2.19 -0.09 -0.53 2.02 0.07 -4.79 117.35 116.42 1r27 s TYR 269 Ca 0.17 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1r27 s TYR 269 Cb -0.13 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1r27 s TYR 269 CO 0.04 -0.12 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.19 1r27 s LEU 270 N -0.34 1.96 0.01 -1.29 1.43 0.05 -1.32 118.68 119.17 1r27 s LEU 270 Ca 0.03 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1r27 s LEU 270 Cb -0.11 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1r27 s LEU 270 CO 0.01 0.12 0.56 -0.83 0.23 0.00 0.00 176.35 176.44 1r27 s GLY 271 N 0.47 -0.46 0.38 -3.19 0.00 -0.97 -1.38 107.32 102.16 1r27 s GLY 271 Ca -0.17 0.82 -0.24 0.00 0.00 0.00 0.00 44.72 45.13 1r27 s GLY 271 CO 0.07 0.51 0.99 0.14 0.00 0.00 0.00 173.10 174.81 1r27 s VAL 272 N -1.94 4.02 -0.02 1.40 1.01 -1.26 0.06 120.40 123.67 1r27 s VAL 272 Ca -0.08 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1r27 s VAL 272 Cb -0.01 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1r27 s VAL 272 CO 0.03 -0.01 -0.03 -0.76 0.00 0.00 0.00 175.10 174.33 1r27 s LEU 273 N -2.55 1.57 -0.08 3.92 1.43 0.05 -4.60 118.68 118.41 1r27 s LEU 273 Ca 0.56 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1r27 s LEU 273 Cb -0.18 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1r27 s LEU 273 CO 0.23 -0.02 0.10 -0.76 0.23 0.00 0.00 176.35 176.14 1r27 s LEU 274 N 0.50 4.13 0.08 1.79 1.43 -1.26 -1.79 118.68 123.56 1r27 s LEU 274 Ca -0.05 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1r27 s LEU 274 Cb -0.09 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1r27 s LEU 274 CO -0.01 0.36 0.25 -0.72 0.23 0.00 0.00 176.35 176.47 1r27 s TYR 275 N -1.06 0.02 -0.48 0.29 -0.85 -0.42 -0.57 117.35 114.29 1r27 s TYR 275 Ca 0.17 -0.34 -0.22 0.00 -0.52 0.00 0.00 57.07 56.16 1r27 s TYR 275 Cb -0.12 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.29 1r27 s TYR 275 CO 0.07 -0.54 0.76 0.34 -1.52 0.00 0.00 175.55 174.65 1r27 s ASP 276 N -2.56 6.34 0.58 -0.18 -1.08 -1.19 -0.65 116.67 117.92 1r27 s ASP 276 Ca 0.01 -0.36 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 1r27 s ASP 276 Cb 0.02 -2.37 1.70 0.00 -1.46 0.00 0.00 42.92 40.82 1r27 s ASP 276 CO -0.08 -0.95 2.23 0.00 0.52 0.00 0.00 175.17 176.89 1r27 h ALA 277 N 9.04 1.63 -0.00 3.66 0.00 -1.21 -1.25 119.26 131.13 1r27 h ALA 277 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1r27 h ALA 277 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r27 h ALA 277 CO 0.97 -0.00 -0.01 -0.25 0.00 0.00 0.00 179.25 179.96 1r27 n ASP 278 N -4.00 0.31 -0.63 0.00 8.00 -1.26 -3.35 116.55 115.62 1r27 n ASP 278 Ca -0.03 -0.98 0.10 0.00 0.71 0.00 0.00 54.79 54.59 1r27 n ASP 278 Cb 0.09 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.20 1r27 n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r27 n ALA 279 N -0.81 2.85 -0.01 2.24 0.00 -0.47 -4.62 120.51 119.70 1r27 n ALA 279 Ca 0.21 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 1r27 n ALA 279 Cb 0.18 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1r27 n ALA 279 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r27 h ILE 280 N 3.11 1.25 -0.32 0.00 2.04 -1.65 -2.91 117.51 119.03 1r27 h ILE 280 Ca 0.00 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.16 1r27 h ILE 280 Cb 0.75 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 1r27 h ILE 280 CO 0.00 0.20 -0.05 -0.08 0.00 0.00 0.00 178.15 178.23 1r27 h GLU 281 N -0.23 0.03 -0.24 2.37 4.81 -1.83 -0.62 114.58 118.88 1r27 h GLU 281 Ca 0.01 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1r27 h GLU 281 Cb 0.33 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1r27 h GLU 281 CO 0.00 0.02 0.07 -0.09 -0.73 0.00 0.00 179.01 178.28 1r27 h ARG 282 N 0.04 0.17 -0.52 1.92 9.65 -1.86 -2.03 114.38 121.74 1r27 h ARG 282 Ca 0.15 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1r27 h ARG 282 Cb 0.23 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1r27 h ARG 282 CO -0.30 0.11 0.30 0.00 2.80 0.00 0.00 179.97 182.88 1r27 h ALA 283 N 1.16 0.66 0.00 2.80 0.00 -1.24 -2.43 119.26 120.22 1r27 h ALA 283 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r27 h ALA 283 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r27 h ALA 283 CO -0.12 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1r27 h ALA 284 N 1.13 1.00 -0.08 0.00 0.00 -0.96 -2.83 119.26 117.51 1r27 h ALA 284 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1r27 h ALA 284 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r27 h ALA 284 CO -0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.65 1r27 n SER 285 N -2.77 2.16 -4.65 0.00 7.64 -0.78 -4.91 113.62 110.30 1r27 n SER 285 Ca 0.01 -1.73 -0.44 0.00 1.01 0.00 0.00 58.87 57.73 1r27 n SER 285 Cb 0.27 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1r27 n SER 285 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1r27 n THR 286 N 0.67 1.83 0.21 0.44 5.66 -1.07 -4.91 114.28 117.11 1r27 n THR 286 Ca 0.17 -0.46 -0.15 0.00 -3.05 0.00 0.00 64.05 60.57 1r27 n THR 286 Cb 0.45 -1.34 -0.07 0.00 -1.55 0.00 0.00 70.33 67.81 1r27 n THR 286 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1r27 h GLU 287 N 2.59 -0.57 -6.15 1.09 4.81 -1.93 -3.42 114.58 111.00 1r27 h GLU 287 Ca -0.44 0.04 -0.56 0.00 -0.13 0.00 0.00 59.36 58.27 1r27 h GLU 287 Cb 1.30 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.77 1r27 h GLU 287 CO 0.64 -0.38 0.32 1.21 -0.73 0.00 0.00 179.01 180.06 1r27 s ASN 288 N -4.69 7.12 0.30 1.04 3.84 -1.26 -4.96 114.94 116.34 1r27 s ASN 288 Ca -0.16 1.37 0.03 0.00 0.21 0.00 0.00 52.86 54.31 1r27 s ASN 288 Cb 0.06 -2.49 0.62 0.00 -0.55 0.00 0.00 41.25 38.89 1r27 s ASN 288 CO 0.64 -0.28 1.85 -0.33 -2.79 0.00 0.00 177.10 176.19 1r27 h GLU 289 N 6.97 0.90 0.00 0.43 5.08 -1.98 -1.62 114.58 124.36 1r27 h GLU 289 Ca -0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1r27 h GLU 289 Cb 1.18 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r27 h GLU 289 CO 0.79 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 181.02 1r27 n LYS 290 N -4.59 0.68 -0.00 2.33 5.02 -1.26 -2.41 118.16 117.93 1r27 n LYS 290 Ca 0.18 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1r27 n LYS 290 Cb 0.37 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 1r27 n LYS 290 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r27 n ASP 291 N -1.00 0.89 -0.29 4.39 8.00 -0.61 -4.43 116.55 123.51 1r27 n ASP 291 Ca 0.16 -0.88 0.02 0.00 0.71 0.00 0.00 54.79 54.80 1r27 n ASP 291 Cb 0.07 1.09 0.15 0.00 -0.02 0.00 0.00 41.12 42.42 1r27 n ASP 291 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1r27 h LEU 292 N 0.00 0.71 0.60 0.64 3.38 -1.57 0.12 115.31 119.19 1r27 h LEU 292 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1r27 h LEU 292 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1r27 h LEU 292 CO 0.00 0.43 -0.48 0.22 0.09 0.00 0.00 178.44 178.70 1r27 h TYR 293 N 0.83 -1.30 -0.83 1.13 3.20 -1.80 -1.19 116.97 117.01 1r27 h TYR 293 Ca 0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1r27 h TYR 293 Cb 0.28 0.49 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 1r27 h TYR 293 CO -0.05 -0.67 0.51 0.37 -1.64 0.00 0.00 178.16 176.68 1r27 h GLN 294 N -1.04 1.11 -0.28 1.82 5.75 -1.78 -1.87 115.11 118.82 1r27 h GLN 294 Ca -0.08 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1r27 h GLN 294 Cb 0.87 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1r27 h GLN 294 CO 0.01 0.77 0.06 0.00 -2.65 0.00 0.00 178.83 177.01 1r27 h ARG 295 N 1.14 0.40 -0.28 1.69 2.47 -0.57 -1.31 114.38 117.92 1r27 h ARG 295 Ca 0.30 -0.06 -0.18 0.00 -1.26 0.00 0.00 59.98 58.78 1r27 h ARG 295 Cb -0.07 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1r27 h ARG 295 CO -0.06 0.39 -0.54 0.37 0.56 0.00 0.00 179.97 180.69 1r27 h GLN 296 N 0.40 0.86 -0.54 0.04 4.15 -0.42 -2.69 115.11 116.92 1r27 h GLN 296 Ca 0.10 -0.55 0.04 0.00 0.77 0.00 0.00 58.65 59.01 1r27 h GLN 296 Cb 0.18 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1r27 h GLN 296 CO -0.00 1.19 0.36 -0.07 -1.93 0.00 0.00 178.83 178.37 1r27 h LEU 297 N 0.64 0.49 -1.73 -2.39 3.38 -0.89 -0.57 115.31 114.24 1r27 h LEU 297 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r27 h LEU 297 Cb 1.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1r27 h LEU 297 CO 0.12 0.33 0.00 0.44 0.09 0.00 0.00 178.44 179.42 1r27 h ASP 298 N 0.57 0.00 0.67 -0.43 3.32 -0.92 -2.42 116.42 117.21 1r27 h ASP 298 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1r27 h ASP 298 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1r27 h ASP 298 CO -0.06 0.00 -0.60 1.33 -1.72 0.00 0.00 179.24 178.19 1r27 n VAL 299 N -2.81 0.18 -2.68 -1.35 0.24 -0.22 -4.82 118.33 106.87 1r27 n VAL 299 Ca -0.00 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1r27 n VAL 299 Cb 0.19 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 1r27 n VAL 299 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1r27 s PHE 300 N -3.10 3.55 0.29 6.34 0.08 -0.91 -3.15 117.98 121.08 1r27 s PHE 300 Ca 0.08 1.61 -0.02 0.00 0.12 0.00 0.00 56.93 58.72 1r27 s PHE 300 Cb 0.15 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 1r27 s PHE 300 CO 0.72 -0.20 0.51 -0.51 -0.10 0.00 0.00 175.22 175.63 1r27 s LEU 301 N 1.70 4.08 -0.55 -0.37 1.43 0.26 -4.99 118.68 120.25 1r27 s LEU 301 Ca 0.50 0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 53.88 1r27 s LEU 301 Cb -0.19 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1r27 s LEU 301 CO 0.21 -0.19 1.06 -0.62 0.23 0.00 0.00 176.35 177.05 1r27 s ASP 302 N -3.45 6.43 0.14 2.29 -1.08 -1.26 -4.58 116.67 115.16 1r27 s ASP 302 Ca 0.41 -0.02 0.10 0.00 -0.52 0.00 0.00 52.55 52.52 1r27 s ASP 302 Cb -0.10 -2.50 0.54 0.00 -1.46 0.00 0.00 42.92 39.40 1r27 s ASP 302 CO 0.32 -1.32 1.31 -0.81 0.52 0.00 0.00 175.17 175.20 1r27 n PRO 303 N 7.88 0.06 0.00 4.34 -0.04 -1.26 -1.59 135.00 144.39 1r27 n PRO 303 Ca 0.06 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1r27 n PRO 303 Cb 0.48 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1r27 n PRO 303 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r27 n ASN 304 N -1.83 0.74 -4.67 3.54 3.02 -1.26 -4.70 115.26 110.10 1r27 n ASN 304 Ca -0.00 -0.63 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 1r27 n ASN 304 Cb 0.03 0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 1r27 n ASN 304 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r27 s ASP 305 N -3.32 6.85 0.35 6.41 -1.08 -0.62 -4.92 116.67 120.33 1r27 s ASP 305 Ca 0.06 1.98 0.11 0.00 -0.52 0.00 0.00 52.55 54.18 1r27 s ASP 305 Cb 0.16 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.96 1r27 s ASP 305 CO 0.83 -0.78 1.79 -0.65 0.52 0.00 0.00 175.17 176.88 1r27 h PRO 306 N 8.40 0.59 -0.32 4.34 0.11 -1.90 -0.64 132.00 142.59 1r27 h PRO 306 Ca -0.34 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 1r27 h PRO 306 Cb 1.15 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1r27 h PRO 306 CO 0.94 0.39 -0.29 0.87 -0.21 0.00 0.00 178.00 179.70 1r27 h LYS 307 N 0.61 0.76 -0.19 1.05 1.79 -1.95 -0.95 116.57 117.68 1r27 h LYS 307 Ca 0.57 -0.39 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1r27 h LYS 307 Cb 1.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1r27 h LYS 307 CO -0.33 1.02 0.11 0.28 -1.08 0.00 0.00 179.45 179.44 1r27 h VAL 308 N 0.52 1.02 -0.16 0.50 2.07 -1.51 0.90 116.25 119.59 1r27 h VAL 308 Ca 0.05 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1r27 h VAL 308 Cb 0.86 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1r27 h VAL 308 CO 0.07 0.04 -0.07 0.40 0.02 0.00 0.00 177.57 178.04 1r27 h ILE 309 N 0.22 0.77 -0.22 4.57 2.04 -1.10 0.23 117.51 124.03 1r27 h ILE 309 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1r27 h ILE 309 Cb 0.00 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1r27 h ILE 309 CO -0.04 0.00 -0.08 -0.08 0.00 0.00 0.00 178.15 177.95 1r27 h GLU 310 N -0.05 -0.04 -0.67 2.37 4.81 -0.78 -0.75 114.58 119.46 1r27 h GLU 310 Ca 0.09 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1r27 h GLU 310 Cb 0.17 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1r27 h GLU 310 CO -0.19 -0.03 0.14 0.37 -0.73 0.00 0.00 179.01 178.58 1r27 h GLN 311 N -0.04 1.09 -0.22 1.92 5.75 -0.46 -1.89 115.11 121.25 1r27 h GLN 311 Ca 0.11 -0.27 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1r27 h GLN 311 Cb 0.21 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1r27 h GLN 311 CO -0.25 0.97 0.11 0.00 -2.65 0.00 0.00 178.83 177.01 1r27 h ALA 312 N 1.12 0.27 -0.48 3.38 0.00 0.04 -0.08 119.26 123.51 1r27 h ALA 312 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r27 h ALA 312 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1r27 h ALA 312 CO 0.01 -0.29 0.29 0.82 0.00 0.00 0.00 179.25 180.07 1r27 h ILE 313 N 0.24 1.15 -0.81 0.00 2.04 -0.99 -1.26 117.51 117.88 1r27 h ILE 313 Ca 0.09 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1r27 h ILE 313 Cb 0.02 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1r27 h ILE 313 CO -0.06 0.15 0.54 0.11 0.00 0.00 0.00 178.15 178.89 1r27 h LYS 314 N 0.64 1.06 0.00 2.37 1.57 -0.92 -1.60 116.57 119.69 1r27 h LYS 314 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1r27 h LYS 314 Cb -0.01 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1r27 h LYS 314 CO -0.03 0.70 0.00 -0.25 -0.57 0.00 0.00 179.45 179.30 1r27 n ASP 315 N -4.41 0.00 0.00 0.86 8.00 -0.08 -4.88 116.55 116.03 1r27 n ASP 315 Ca 0.09 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1r27 n ASP 315 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1r27 n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 316 N 0.55 0.74 3.68 0.44 0.00 -0.60 -4.92 105.19 105.08 1r27 n GLY 316 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1r27 n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 317 N -2.32 4.64 0.55 -0.61 -1.09 -0.53 -5.00 121.20 116.84 1r27 s ILE 317 Ca 0.00 1.93 -0.21 0.00 -2.23 0.00 0.00 60.65 60.14 1r27 s ILE 317 Cb 0.00 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1r27 s ILE 317 CO 0.00 -0.02 1.31 -2.84 -1.23 0.00 0.00 174.94 172.16 1r27 s PRO 318 N 2.24 3.14 0.36 2.79 0.02 -1.26 -4.25 135.00 138.04 1r27 s PRO 318 Ca 0.50 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.69 1r27 s PRO 318 Cb -0.19 -2.20 0.76 0.00 0.02 0.00 0.00 34.50 32.89 1r27 s PRO 318 CO 0.17 -1.15 1.96 1.25 -0.33 0.00 0.00 177.00 178.90 1r27 h LEU 319 N 1.38 0.65 -1.56 -5.54 5.85 -1.98 -1.47 115.31 112.64 1r27 h LEU 319 Ca -0.51 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1r27 h LEU 319 Cb 1.30 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1r27 h LEU 319 CO 0.57 0.42 -0.02 0.77 -0.34 0.00 0.00 178.44 179.84 1r27 h SER 320 N 0.74 0.23 -0.08 1.25 4.64 -1.99 -0.24 113.55 118.11 1r27 h SER 320 Ca 0.31 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.40 1r27 h SER 320 Cb 0.28 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1r27 h SER 320 CO -0.10 0.30 -0.72 0.58 -0.87 0.00 0.00 176.83 176.02 1r27 h VAL 321 N 0.25 1.30 -0.52 0.95 2.07 -1.63 -1.94 116.25 116.73 1r27 h VAL 321 Ca 0.06 -1.95 -0.07 0.00 0.82 0.00 0.00 66.70 65.55 1r27 h VAL 321 Cb 0.21 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1r27 h VAL 321 CO 0.01 0.62 0.05 0.40 0.02 0.00 0.00 177.57 178.66 1r27 h ILE 322 N 0.50 1.26 -0.29 4.57 2.04 -1.10 -1.06 117.51 123.43 1r27 h ILE 322 Ca -0.03 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1r27 h ILE 322 Cb 1.33 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1r27 h ILE 322 CO 0.14 0.36 -0.06 -0.33 0.00 0.00 0.00 178.15 178.26 1r27 h GLU 323 N 0.75 0.46 -0.48 2.37 5.08 -1.03 -1.59 114.58 120.13 1r27 h GLU 323 Ca 0.15 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1r27 h GLU 323 Cb 0.45 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1r27 h GLU 323 CO 0.02 0.53 -0.09 0.00 -1.00 0.00 0.00 179.01 178.47 1r27 h ALA 324 N 1.51 0.66 -0.17 3.43 0.00 -0.94 -2.39 119.26 121.35 1r27 h ALA 324 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1r27 h ALA 324 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1r27 h ALA 324 CO 0.02 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.92 1r27 h ALA 325 N 0.90 1.86 0.00 0.00 0.00 -0.40 0.04 119.26 121.66 1r27 h ALA 325 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r27 h ALA 325 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r27 h ALA 325 CO 0.04 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.45 1r27 n GLN 326 N -4.50 0.20 -0.16 0.00 6.02 -0.68 -2.56 117.38 115.71 1r27 n GLN 326 Ca -0.00 0.36 0.05 0.00 -0.01 0.00 0.00 57.00 57.39 1r27 n GLN 326 Cb 0.08 -1.84 0.12 0.00 1.02 0.00 0.00 30.24 29.63 1r27 n GLN 326 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1r27 n GLN 327 N -2.21 2.73 -1.79 -1.09 1.13 -0.08 -5.04 117.38 111.03 1r27 n GLN 327 Ca 0.03 -2.08 -0.43 0.00 -1.94 0.00 0.00 57.00 52.58 1r27 n GLN 327 Cb 0.28 -1.31 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 1r27 n GLN 327 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1r27 s SER 328 N -1.39 6.16 0.38 1.08 0.15 -0.73 -4.88 113.70 114.47 1r27 s SER 328 Ca 0.20 2.14 0.17 0.00 0.70 0.00 0.00 55.95 59.16 1r27 s SER 328 Cb 0.14 -2.53 0.76 0.00 -1.71 0.00 0.00 66.02 62.69 1r27 s SER 328 CO 0.08 -1.36 1.80 1.55 1.20 0.00 0.00 173.24 176.51 1r27 h PRO 329 N 11.85 0.00 -0.41 5.44 0.13 -1.83 -2.78 132.00 144.40 1r27 h PRO 329 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1r27 h PRO 329 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1r27 h PRO 329 CO 0.96 0.37 -0.21 0.28 -0.23 0.00 0.00 178.00 179.18 1r27 h VAL 330 N 0.00 1.27 -0.35 1.56 2.07 -1.88 -1.95 116.25 116.97 1r27 h VAL 330 Ca -0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1r27 h VAL 330 Cb 0.76 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1r27 h VAL 330 CO 0.05 0.45 0.16 0.22 0.02 0.00 0.00 177.57 178.46 1r27 h TYR 331 N 0.71 0.51 -0.60 1.57 3.20 -1.78 -0.51 116.97 120.08 1r27 h TYR 331 Ca 0.10 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1r27 h TYR 331 Cb 0.73 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1r27 h TYR 331 CO 0.04 0.45 0.37 0.87 -1.64 0.00 0.00 178.16 178.26 1r27 h LYS 332 N 0.42 0.72 -0.31 1.82 1.57 -1.33 0.28 116.57 119.76 1r27 h LYS 332 Ca 0.12 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1r27 h LYS 332 Cb 0.14 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1r27 h LYS 332 CO -0.01 0.48 -0.51 0.52 -0.57 0.00 0.00 179.45 179.36 1r27 h MET 333 N 0.74 0.87 0.07 3.15 2.86 -1.15 0.69 114.93 122.16 1r27 h MET 333 Ca 0.24 -0.53 -0.17 0.00 -2.06 0.00 0.00 59.70 57.18 1r27 h MET 333 Cb -0.01 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1r27 h MET 333 CO -0.09 1.17 -0.84 0.00 1.06 0.00 0.00 176.91 178.21 1r27 h ALA 334 N 0.74 0.07 0.05 6.32 0.00 -0.95 0.28 119.26 125.76 1r27 h ALA 334 Ca 0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 54.91 53.86 1r27 h ALA 334 Cb 1.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1r27 h ALA 334 CO 0.11 0.46 -1.24 0.52 0.00 0.00 0.00 179.25 179.11 1r27 h MET 335 N -0.63 0.11 0.00 0.00 2.86 -0.58 -3.36 114.93 113.34 1r27 h MET 335 Ca -0.19 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1r27 h MET 335 Cb 1.44 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 1r27 h MET 335 CO 0.02 1.09 -0.26 1.49 1.06 0.00 0.00 176.91 180.31 1r27 h GLU 336 N -0.65 0.00 0.00 1.72 4.81 -1.36 -3.40 114.58 115.70 1r27 h GLU 336 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1r27 h GLU 336 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1r27 h GLU 336 CO -0.06 0.11 -0.27 -1.49 -0.73 0.00 0.00 179.01 176.57 1r27 h TRP 337 N -1.00 0.00 -5.11 0.92 6.55 -1.07 -3.48 115.95 112.77 1r27 h TRP 337 Ca -0.02 0.00 -0.39 0.00 0.95 0.00 0.00 58.89 59.44 1r27 h TRP 337 Cb 0.32 0.00 0.10 0.00 -0.86 0.00 0.00 29.16 28.72 1r27 h TRP 337 CO -0.06 0.00 -0.62 1.63 -1.05 0.00 0.00 178.44 178.33 1r27 n LYS 338 N -2.60 -6.50 -0.02 0.49 4.76 -1.04 -4.92 118.16 108.33 1r27 n LYS 338 Ca 0.04 0.83 -0.12 0.00 -2.87 0.00 0.00 58.31 56.19 1r27 n LYS 338 Cb 0.49 -5.72 -0.14 0.00 -1.84 0.00 0.00 35.03 27.82 1r27 n LYS 338 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1r27 n LEU 339 N -4.45 1.24 -4.82 -0.35 4.77 0.05 -4.26 117.00 109.17 1r27 n LEU 339 Ca -0.04 0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.89 1r27 n LEU 339 Cb 0.58 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1r27 n LEU 339 CO 0.56 0.51 0.15 0.00 -1.33 0.00 0.00 177.39 177.27 1r27 s ALA 340 N -2.58 3.66 0.09 -1.18 0.00 -0.95 -4.20 121.76 116.59 1r27 s ALA 340 Ca -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.75 1r27 s ALA 340 Cb 0.08 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 1r27 s ALA 340 CO 0.81 0.43 -0.12 -0.51 0.00 0.00 0.00 175.76 176.37 1r27 s LEU 341 N -0.96 2.36 0.70 0.00 1.43 0.20 -4.66 118.68 117.74 1r27 s LEU 341 Ca 0.25 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1r27 s LEU 341 Cb -0.17 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.66 1r27 s LEU 341 CO 0.14 -0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.46 1r27 s PRO 342 N -2.41 2.75 -0.24 1.29 0.04 -1.26 0.11 135.00 135.28 1r27 s PRO 342 Ca 0.03 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1r27 s PRO 342 Cb -0.06 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1r27 s PRO 342 CO 0.01 -1.26 0.40 -1.17 0.04 0.00 0.00 177.00 175.02 1r27 s LEU 343 N -5.36 4.09 -0.94 -3.56 2.96 -1.26 -4.32 118.68 110.29 1r27 s LEU 343 Ca 0.62 0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 54.84 1r27 s LEU 343 Cb -0.17 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.04 1r27 s LEU 343 CO 0.50 -0.15 0.65 1.41 -1.32 0.00 0.00 176.35 177.43 1r27 n HIS 344 N 4.99 -1.95 0.28 5.38 8.25 -0.26 -4.85 115.22 127.07 1r27 n HIS 344 Ca -0.08 0.64 0.16 0.00 -0.26 0.00 0.00 57.72 58.19 1r27 n HIS 344 Cb 0.51 -2.93 0.82 0.00 1.12 0.00 0.00 29.99 29.51 1r27 n HIS 344 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1r27 h PRO 345 N -0.93 0.00 0.00 -0.41 0.13 -1.80 -2.88 132.00 126.11 1r27 h PRO 345 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1r27 h PRO 345 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1r27 h PRO 345 CO 0.41 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.39 1r27 n GLU 346 N -3.34 0.15 0.15 0.86 0.00 -1.26 -1.17 120.64 116.03 1r27 n GLU 346 Ca -0.01 0.55 0.13 0.00 0.00 0.00 0.00 57.16 57.82 1r27 n GLU 346 Cb 0.23 -1.90 0.51 0.00 0.00 0.00 0.00 31.44 30.27 1r27 n GLU 346 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1r27 h TYR 347 N 0.00 0.00 -1.25 -1.84 0.05 -1.85 -3.47 116.97 108.61 1r27 h TYR 347 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1r27 h TYR 347 Cb 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1r27 h TYR 347 CO 0.00 0.00 -0.24 0.54 -1.05 0.00 0.00 178.16 177.41 1r27 n ARG 348 N -2.40 -0.78 0.00 4.88 1.74 -0.32 -2.25 116.66 117.52 1r27 n ARG 348 Ca 0.02 0.55 0.11 0.00 -0.77 0.00 0.00 57.85 57.76 1r27 n ARG 348 Cb 0.27 -4.59 -0.02 0.00 -1.02 0.00 0.00 32.46 27.11 1r27 n ARG 348 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1r27 n THR 349 N -3.77 0.00 -3.29 0.55 -2.24 -1.26 -4.81 114.28 99.46 1r27 n THR 349 Ca -0.12 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1r27 n THR 349 Cb 0.54 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1r27 n THR 349 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r27 n LEU 350 N -1.49 -5.36 -4.72 3.22 4.32 -1.26 -0.60 117.00 111.11 1r27 n LEU 350 Ca 0.04 -0.50 -0.36 0.00 -0.02 0.00 0.00 56.01 55.17 1r27 n LEU 350 Cb 0.33 -2.98 0.09 0.00 -1.62 0.00 0.00 43.42 39.24 1r27 n LEU 350 CO 0.41 -0.36 0.87 -2.16 -1.22 0.00 0.00 177.39 174.93 1r27 s PRO 351 N -4.08 2.27 0.00 3.23 0.04 -1.26 -1.36 135.00 133.84 1r27 s PRO 351 Ca 0.22 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.31 1r27 s PRO 351 Cb -0.05 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.83 1r27 s PRO 351 CO 0.78 -1.79 1.10 -1.33 0.04 0.00 0.00 177.00 175.79 1r27 n MET 352 N -2.31 2.67 -3.90 4.56 2.81 -0.34 -4.85 117.12 115.75 1r27 n MET 352 Ca 0.15 -1.71 -0.34 0.00 -1.81 0.00 0.00 57.70 53.99 1r27 n MET 352 Cb 0.49 -1.14 -0.13 0.00 -0.71 0.00 0.00 33.22 31.72 1r27 n MET 352 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r27 s VAL 353 N -0.96 2.85 0.35 2.03 1.01 -1.24 -2.51 120.40 121.92 1r27 s VAL 353 Ca 0.12 -1.88 0.07 0.00 0.00 0.00 0.00 61.98 60.29 1r27 s VAL 353 Cb 0.06 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1r27 s VAL 353 CO 0.08 -0.42 0.47 0.26 0.00 0.00 0.00 175.10 175.49 1r27 s TRP 354 N 1.11 3.04 0.00 5.22 0.52 0.37 -4.34 118.94 124.86 1r27 s TRP 354 Ca 0.03 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.92 1r27 s TRP 354 Cb -0.21 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 1r27 s TRP 354 CO -0.04 -0.06 -0.09 0.71 0.02 0.00 0.00 176.95 177.49 1r27 s TYR 355 N -2.22 0.83 -0.21 -1.98 2.02 0.12 -0.87 117.35 115.05 1r27 s TYR 355 Ca 0.46 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.83 1r27 s TYR 355 Cb -0.09 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 1r27 s TYR 355 CO 0.31 -0.01 0.24 0.08 -1.57 0.00 0.00 175.55 174.60 1r27 s VAL 356 N -0.41 5.32 0.68 0.71 1.01 -0.71 0.60 120.40 127.60 1r27 s VAL 356 Ca 0.02 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1r27 s VAL 356 Cb -0.05 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1r27 s VAL 356 CO -0.00 0.35 1.14 -2.16 0.00 0.00 0.00 175.10 174.43 1r27 s PRO 357 N 0.86 2.62 0.26 2.72 0.04 -1.26 -1.72 135.00 138.52 1r27 s PRO 357 Ca 0.12 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 1r27 s PRO 357 Cb -0.13 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1r27 s PRO 357 CO 0.04 -1.41 0.63 -1.25 0.04 0.00 0.00 177.00 175.05 1r27 s PRO 358 N -4.01 3.92 0.88 0.56 0.04 -1.26 -4.20 135.00 130.93 1r27 s PRO 358 Ca 0.69 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 62.11 1r27 s PRO 358 Cb -0.23 -2.60 0.18 0.00 0.04 0.00 0.00 34.50 31.89 1r27 s PRO 358 CO 0.42 0.27 1.21 -0.51 0.04 0.00 0.00 177.00 178.43 1r27 s LEU 359 N -2.76 2.83 0.13 -3.56 1.43 -1.26 -4.95 118.68 110.53 1r27 s LEU 359 Ca 0.49 -0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 53.28 1r27 s LEU 359 Cb -0.11 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1r27 s LEU 359 CO 0.19 -2.47 0.77 -0.94 0.23 0.00 0.00 176.35 174.14 1r27 s SER 360 N -4.87 -0.39 0.78 2.29 1.04 -1.26 -4.98 113.70 106.31 1r27 s SER 360 Ca 0.72 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 1r27 s SER 360 Cb -0.04 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1r27 s SER 360 CO 0.50 -0.91 0.99 -2.65 0.98 0.00 0.00 173.24 172.15 1r27 n PRO 361 N -0.37 0.29 -1.05 4.02 -0.02 -1.26 -4.46 135.00 132.16 1r27 n PRO 361 Ca -0.10 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.24 1r27 n PRO 361 Cb 0.62 -2.26 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1r27 n PRO 361 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1r27 s ILE 362 N -2.00 2.64 0.61 4.25 -4.36 -1.26 -1.23 121.20 119.85 1r27 s ILE 362 Ca 0.72 0.21 -0.19 0.00 -0.26 0.00 0.00 60.65 61.12 1r27 s ILE 362 Cb -0.31 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 1r27 s ILE 362 CO 0.52 -0.27 1.31 -1.10 0.24 0.00 0.00 174.94 175.64 1r27 s GLN 363 N -4.82 2.79 0.36 0.37 -0.21 0.25 -4.48 119.66 113.92 1r27 s GLN 363 Ca 0.64 2.09 -0.25 0.00 0.02 0.00 0.00 55.36 57.87 1r27 s GLN 363 Cb -0.19 -1.99 -0.10 0.00 1.00 0.00 0.00 33.01 31.73 1r27 s GLN 363 CO 0.58 -1.42 0.98 -1.12 -2.12 0.00 0.00 175.29 172.18 1r27 s SER 364 N -1.27 7.10 0.00 5.90 0.01 -1.26 -4.93 113.70 119.25 1r27 s SER 364 Ca 0.78 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1r27 s SER 364 Cb -0.38 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.28 1r27 s SER 364 CO 0.41 -0.24 0.00 0.00 0.41 0.00 0.00 173.24 173.82 1r27 n ALA 365 N 0.16 1.02 0.00 1.44 0.00 -1.26 -5.02 120.51 116.85 1r27 n ALA 365 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1r27 n ALA 365 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1r27 n ALA 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r27 n ALA 366 N -1.20 0.00 -2.72 0.00 0.00 -1.26 -4.93 120.51 110.39 1r27 n ALA 366 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1r27 n ALA 366 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1r27 n ALA 366 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1r27 s ASP 367 N 0.20 6.27 0.42 0.00 -4.77 -1.26 -4.87 116.67 112.66 1r27 s ASP 367 Ca 0.00 -1.01 0.03 0.00 -3.30 0.00 0.00 52.55 48.27 1r27 s ASP 367 Cb 0.00 -2.48 0.17 0.00 -1.09 0.00 0.00 42.92 39.52 1r27 s ASP 367 CO 0.00 -1.54 0.93 0.00 0.70 0.00 0.00 175.17 175.27 1r27 h ALA 368 N 9.66 1.56 -1.39 2.11 0.00 -2.02 -3.46 119.26 125.72 1r27 h ALA 368 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1r27 h ALA 368 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1r27 h ALA 368 CO 1.24 -0.56 -0.14 0.41 0.00 0.00 0.00 179.25 180.19 1r27 n GLY 369 N -1.31 -1.79 3.36 0.00 0.00 -1.26 -5.00 105.19 99.20 1r27 n GLY 369 Ca -0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 1r27 n GLY 369 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r27 s GLU 370 N -0.85 1.52 0.66 1.61 -1.05 -1.26 -5.13 118.70 114.20 1r27 s GLU 370 Ca 0.00 -1.84 -0.17 0.00 -0.15 0.00 0.00 54.97 52.81 1r27 s GLU 370 Cb 0.00 -0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 33.21 1r27 s GLU 370 CO 0.00 -0.30 0.38 1.28 0.95 0.00 0.00 175.26 177.57 1r27 n LEU 371 N -0.56 -0.07 0.00 1.83 4.32 -1.26 -5.00 117.00 116.25 1r27 n LEU 371 Ca -0.01 0.62 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1r27 n LEU 371 Cb 0.66 -1.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.33 1r27 n LEU 371 CO 0.38 -3.44 0.00 0.61 -1.22 0.00 0.00 177.39 173.72 1r27 n GLY 372 N 1.89 6.42 0.36 -0.72 0.00 -0.95 -4.93 105.19 107.26 1r27 n GLY 372 Ca 0.10 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.42 1r27 n GLY 372 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r27 h SER 373 N 0.00 0.49 -0.73 1.61 0.02 -1.95 -1.00 113.55 112.00 1r27 h SER 373 Ca 0.00 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.77 1r27 h SER 373 Cb 0.00 -0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.34 1r27 h SER 373 CO 0.00 0.30 0.24 0.59 -1.14 0.00 0.00 176.83 176.81 1r27 n ASN 374 N -4.48 5.02 0.00 3.07 3.02 -1.26 -4.97 115.26 115.66 1r27 n ASN 374 Ca 0.11 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1r27 n ASN 374 Cb 0.35 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1r27 n ASN 374 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r27 n GLY 375 N -0.01 2.60 0.18 7.41 0.00 -0.38 -2.00 105.19 112.98 1r27 n GLY 375 Ca 0.39 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1r27 n GLY 375 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1r27 h ILE 376 N 0.00 0.00 -3.89 -0.61 3.07 -1.96 -2.52 117.51 111.61 1r27 h ILE 376 Ca 0.00 -0.58 -0.47 0.00 1.55 0.00 0.00 64.86 65.35 1r27 h ILE 376 Cb 0.00 1.53 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1r27 h ILE 376 CO 0.00 0.00 0.21 -0.76 -1.05 0.00 0.00 178.15 176.55 1r27 s LEU 377 N -5.37 3.94 0.78 0.16 1.43 -0.85 -5.01 118.68 113.76 1r27 s LEU 377 Ca 0.06 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.45 1r27 s LEU 377 Cb 0.09 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 42.09 1r27 s LEU 377 CO 0.56 -0.33 1.19 -2.65 0.23 0.00 0.00 176.35 175.35 1r27 n PRO 378 N -0.73 0.35 -4.28 1.29 -0.02 -1.26 -4.32 135.00 126.03 1r27 n PRO 378 Ca 0.05 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1r27 n PRO 378 Cb 0.54 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1r27 n PRO 378 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r27 s ASP 379 N -1.96 5.22 0.38 2.55 1.01 -1.26 -4.69 116.67 117.92 1r27 s ASP 379 Ca 0.75 0.05 0.17 0.00 0.71 0.00 0.00 52.55 54.22 1r27 s ASP 379 Cb -0.31 -1.41 1.06 0.00 1.01 0.00 0.00 42.92 43.27 1r27 s ASP 379 CO 0.49 0.30 1.75 1.62 0.21 0.00 0.00 175.17 179.55 1r27 h VAL 380 N 3.64 0.51 0.00 -1.27 3.04 -1.95 0.21 116.25 120.42 1r27 h VAL 380 Ca -0.49 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1r27 h VAL 380 Cb 1.18 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1r27 h VAL 380 CO 0.57 0.08 0.00 -0.33 -1.01 0.00 0.00 177.57 176.88 1r27 h GLU 381 N 0.43 0.00 -0.15 4.17 3.07 -2.00 -2.98 114.58 117.11 1r27 h GLU 381 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1r27 h GLU 381 Cb 1.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1r27 h GLU 381 CO -0.35 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.13 1r27 n SER 382 N -2.63 3.01 -4.75 1.42 3.41 0.06 -4.96 113.62 109.17 1r27 n SER 382 Ca -0.00 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 1r27 n SER 382 Cb 0.16 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1r27 n SER 382 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r27 s LEU 383 N -1.81 4.40 0.41 1.04 1.43 -1.13 -0.58 118.68 122.43 1r27 s LEU 383 Ca 0.32 2.65 0.28 0.00 -1.03 0.00 0.00 54.13 56.36 1r27 s LEU 383 Cb 0.21 -3.63 1.11 0.00 0.03 0.00 0.00 46.19 43.90 1r27 s LEU 383 CO 0.31 -0.63 1.84 0.08 0.23 0.00 0.00 176.35 178.17 1r27 h ARG 384 N 4.52 0.00 -5.90 1.70 0.11 -1.39 -3.43 114.38 110.00 1r27 h ARG 384 Ca -0.47 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.02 1r27 h ARG 384 Cb 1.22 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.22 1r27 h ARG 384 CO 0.74 0.00 0.58 0.42 0.10 0.00 0.00 179.97 181.80 1r27 s ILE 385 N -3.46 4.77 -0.03 0.08 1.01 -1.26 -4.95 121.20 117.36 1r27 s ILE 385 Ca 0.03 1.67 -0.32 0.00 0.00 0.00 0.00 60.65 62.03 1r27 s ILE 385 Cb 0.09 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 1r27 s ILE 385 CO 0.50 -0.15 1.92 -0.81 0.00 0.00 0.00 174.94 176.40 1r27 n PRO 386 N 6.17 2.50 0.26 2.79 -0.04 -1.26 -4.85 135.00 140.57 1r27 n PRO 386 Ca 0.08 0.92 0.11 0.00 -0.04 0.00 0.00 63.50 64.56 1r27 n PRO 386 Cb 0.47 -2.81 0.71 0.00 -0.04 0.00 0.00 33.50 31.83 1r27 n PRO 386 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1r27 h VAL 387 N 5.50 0.77 -0.25 0.52 3.04 -1.93 -1.02 116.25 122.89 1r27 h VAL 387 Ca -0.49 -0.30 -0.05 0.00 -1.01 0.00 0.00 66.70 64.85 1r27 h VAL 387 Cb 1.26 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1r27 h VAL 387 CO 0.94 0.08 -0.08 -0.61 -1.01 0.00 0.00 177.57 176.89 1r27 h GLN 388 N 0.00 0.39 -0.06 4.17 5.75 -1.95 -0.63 115.11 122.78 1r27 h GLN 388 Ca -0.00 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1r27 h GLN 388 Cb 0.17 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1r27 h GLN 388 CO 0.01 0.49 0.03 -0.92 -2.65 0.00 0.00 178.83 175.79 1r27 h TYR 389 N 0.37 0.09 0.00 3.99 3.20 -1.43 -1.36 116.97 121.83 1r27 h TYR 389 Ca 0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1r27 h TYR 389 Cb 0.38 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1r27 h TYR 389 CO 0.01 0.18 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.44 1r27 h LEU 390 N -0.03 0.00 -0.36 2.82 3.38 -1.38 -2.76 115.31 116.98 1r27 h LEU 390 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1r27 h LEU 390 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1r27 h LEU 390 CO -0.00 0.20 -0.32 0.00 0.09 0.00 0.00 178.44 178.41 1r27 h ALA 391 N 1.80 0.53 0.00 1.53 0.00 -0.68 -0.42 119.26 122.01 1r27 h ALA 391 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1r27 h ALA 391 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1r27 h ALA 391 CO 0.03 0.57 -0.31 -0.91 0.00 0.00 0.00 179.25 178.63 1r27 h ASN 392 N 0.65 0.00 0.17 0.00 2.35 -0.99 0.22 115.58 117.98 1r27 h ASN 392 Ca 0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.56 1r27 h ASN 392 Cb 0.90 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.30 1r27 h ASN 392 CO 0.08 0.31 -1.09 0.25 -1.65 0.00 0.00 177.43 175.33 1r27 h LEU 393 N 0.00 0.67 0.00 1.61 5.85 -1.31 -3.40 115.31 118.73 1r27 h LEU 393 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1r27 h LEU 393 Cb 0.62 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1r27 h LEU 393 CO 0.04 1.53 -1.19 0.18 -0.34 0.00 0.00 178.44 178.66 1r27 n LEU 394 N -3.94 0.03 -2.51 2.25 4.77 -0.18 -1.11 117.00 116.31 1r27 n LEU 394 Ca -0.15 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.76 1r27 n LEU 394 Cb 0.93 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.07 1r27 n LEU 394 CO 0.54 0.01 0.03 0.35 -1.33 0.00 0.00 177.39 176.99 1r27 n THR 395 N -1.66 1.25 -3.25 -5.08 -2.24 0.60 -4.06 114.28 99.83 1r27 n THR 395 Ca -0.01 -2.80 -0.22 0.00 -2.27 0.00 0.00 64.05 58.75 1r27 n THR 395 Cb 0.16 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1r27 n THR 395 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n ALA 396 N -0.47 -1.03 -0.04 6.98 0.00 -1.01 -1.24 120.51 123.70 1r27 n ALA 396 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1r27 n ALA 396 Cb 0.87 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1r27 n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 397 N -1.12 1.35 3.55 0.00 0.00 -0.15 -4.78 105.19 104.02 1r27 n GLY 397 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1r27 n GLY 397 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r27 s ASP 398 N -2.94 6.39 0.55 1.61 -1.08 -0.37 -4.76 116.67 116.07 1r27 s ASP 398 Ca 0.00 -0.14 0.35 0.00 -0.52 0.00 0.00 52.55 52.23 1r27 s ASP 398 Cb 0.00 -2.48 1.50 0.00 -1.46 0.00 0.00 42.92 40.47 1r27 s ASP 398 CO 0.00 -1.32 2.02 0.71 0.52 0.00 0.00 175.17 177.10 1r27 h THR 399 N 6.08 0.00 -0.34 1.71 1.35 -1.89 -3.34 112.91 116.48 1r27 h THR 399 Ca -0.26 -0.42 0.06 0.00 -0.55 0.00 0.00 66.41 65.24 1r27 h THR 399 Cb 1.07 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 68.84 1r27 h THR 399 CO 1.13 0.00 -0.00 0.50 -0.25 0.00 0.00 175.52 176.89 1r27 h LYS 400 N 0.00 0.09 -0.16 4.72 3.64 -1.98 -0.30 116.57 122.59 1r27 h LYS 400 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1r27 h LYS 400 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1r27 h LYS 400 CO 0.00 0.06 -0.27 -1.35 -2.27 0.00 0.00 179.45 175.62 1r27 h PRO 401 N 0.09 0.29 -0.06 1.90 0.11 -1.98 -2.06 132.00 130.28 1r27 h PRO 401 Ca 0.17 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1r27 h PRO 401 Cb 0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1r27 h PRO 401 CO -0.28 0.54 -0.07 0.28 -0.21 0.00 0.00 178.00 178.26 1r27 h VAL 402 N 0.26 1.39 -0.86 3.15 2.07 -1.66 -2.27 116.25 118.32 1r27 h VAL 402 Ca 0.04 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.34 1r27 h VAL 402 Cb 0.62 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 1r27 h VAL 402 CO 0.04 0.35 0.56 -0.07 0.02 0.00 0.00 177.57 178.47 1r27 h LEU 403 N -0.31 0.89 -0.35 2.57 3.38 -1.01 -0.68 115.31 119.79 1r27 h LEU 403 Ca 0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1r27 h LEU 403 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1r27 h LEU 403 CO 0.02 0.59 0.07 -0.09 0.09 0.00 0.00 178.44 179.12 1r27 h ARG 404 N 1.02 0.57 0.17 1.13 2.43 -1.31 0.13 114.38 118.52 1r27 h ARG 404 Ca 0.35 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1r27 h ARG 404 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1r27 h ARG 404 CO -0.12 0.63 -0.08 0.00 -1.51 0.00 0.00 179.97 178.89 1r27 h ALA 405 N 0.92 -0.23 -0.58 2.80 0.00 -0.77 -0.73 119.26 120.66 1r27 h ALA 405 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r27 h ALA 405 Cb 0.33 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1r27 h ALA 405 CO 0.00 -0.58 0.37 -0.07 0.00 0.00 0.00 179.25 178.97 1r27 h LEU 406 N -0.33 0.67 -1.19 0.00 3.38 -1.12 -2.43 115.31 114.28 1r27 h LEU 406 Ca -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1r27 h LEU 406 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1r27 h LEU 406 CO 0.04 0.50 0.10 0.50 0.09 0.00 0.00 178.44 179.67 1r27 h LYS 407 N 0.78 0.66 -0.11 1.13 3.64 -0.60 -2.07 116.57 120.00 1r27 h LYS 407 Ca 0.21 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1r27 h LYS 407 Cb -0.07 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1r27 h LYS 407 CO -0.04 0.61 -0.50 0.00 -2.27 0.00 0.00 179.45 177.24 1r27 h ARG 408 N 0.64 0.29 -0.18 1.90 3.08 -0.78 -1.14 114.38 118.20 1r27 h ARG 408 Ca 0.15 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1r27 h ARG 408 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1r27 h ARG 408 CO -0.00 0.73 -0.66 0.52 -1.07 0.00 0.00 179.97 179.48 1r27 h MET 409 N 0.23 0.70 -0.39 0.04 2.86 -1.10 -2.21 114.93 115.06 1r27 h MET 409 Ca 0.01 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.06 1r27 h MET 409 Cb 0.97 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1r27 h MET 409 CO 0.08 1.13 -0.11 -0.07 1.06 0.00 0.00 176.91 179.00 1r27 h LEU 410 N 0.51 0.67 -0.69 1.22 3.38 -1.25 -2.23 115.31 116.91 1r27 h LEU 410 Ca -0.02 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1r27 h LEU 410 Cb 1.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1r27 h LEU 410 CO 0.13 0.81 0.18 0.00 0.09 0.00 0.00 178.44 179.66 1r27 h ALA 411 N 1.26 0.90 -0.23 1.53 0.00 -1.08 -1.50 119.26 120.14 1r27 h ALA 411 Ca 0.11 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1r27 h ALA 411 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1r27 h ALA 411 CO 0.03 0.61 0.13 1.98 0.00 0.00 0.00 179.25 182.00 1r27 h MET 412 N 1.02 0.26 -0.55 0.00 1.85 -1.00 -0.78 114.93 115.73 1r27 h MET 412 Ca 0.22 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.35 1r27 h MET 412 Cb 0.35 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.27 1r27 h MET 412 CO -0.00 0.17 0.27 0.00 -0.40 0.00 0.00 176.91 176.95 1r27 h ARG 413 N 0.27 0.50 -0.32 0.39 3.08 -1.05 0.54 114.38 117.79 1r27 h ARG 413 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1r27 h ARG 413 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1r27 h ARG 413 CO -0.05 0.33 0.16 1.25 -1.07 0.00 0.00 179.97 180.60 1r27 h HIS 414 N 0.51 0.45 -0.32 3.04 2.76 -0.91 0.00 115.15 120.69 1r27 h HIS 414 Ca 0.25 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1r27 h HIS 414 Cb 0.18 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1r27 h HIS 414 CO -0.11 0.38 0.18 -0.92 -1.30 0.00 0.00 177.93 176.17 1r27 h TYR 415 N 0.39 0.43 -0.11 5.26 3.20 -0.75 -2.48 116.97 122.91 1r27 h TYR 415 Ca 0.11 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1r27 h TYR 415 Cb 0.09 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1r27 h TYR 415 CO -0.02 0.34 -0.37 0.87 -1.64 0.00 0.00 178.16 177.34 1r27 h LYS 416 N 0.40 0.22 -0.46 1.82 1.79 -0.74 -2.65 116.57 116.95 1r27 h LYS 416 Ca 0.11 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 1r27 h LYS 416 Cb 0.04 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1r27 h LYS 416 CO -0.02 0.57 -0.14 -0.09 -1.08 0.00 0.00 179.45 178.68 1r27 h ARG 417 N 0.19 0.91 -0.98 3.15 2.43 -0.76 -0.16 114.38 119.17 1r27 h ARG 417 Ca 0.02 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1r27 h ARG 417 Cb 0.74 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 1r27 h ARG 417 CO 0.06 1.02 0.64 0.00 -1.51 0.00 0.00 179.97 180.18 1r27 h ALA 418 N 0.87 1.24 -0.06 2.80 0.00 -1.32 0.28 119.26 123.06 1r27 h ALA 418 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1r27 h ALA 418 Cb 0.70 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1r27 h ALA 418 CO 0.05 0.64 -0.06 1.49 0.00 0.00 0.00 179.25 181.38 1r27 h GLU 419 N 1.33 0.15 0.00 0.00 4.81 -1.22 0.20 114.58 119.85 1r27 h GLU 419 Ca 0.36 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1r27 h GLU 419 Cb -0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1r27 h GLU 419 CO -0.08 0.59 -0.69 1.79 -0.73 0.00 0.00 179.01 179.90 1r27 h THR 420 N -0.28 0.14 0.00 0.32 1.35 -0.89 -3.00 112.91 110.55 1r27 h THR 420 Ca 0.01 -1.23 -0.29 0.00 -0.55 0.00 0.00 66.41 64.35 1r27 h THR 420 Cb 0.56 1.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 1r27 h THR 420 CO 0.01 0.08 -2.01 0.52 -0.25 0.00 0.00 175.52 173.88 1r27 n VAL 421 N -2.89 1.00 1.00 6.82 0.31 0.97 -4.66 118.33 120.87 1r27 n VAL 421 Ca 0.00 -0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.14 1r27 n VAL 421 Cb 0.60 -1.48 0.17 0.00 -0.91 0.00 0.00 33.84 32.22 1r27 n VAL 421 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1r27 n ASP 422 N -3.48 0.61 -2.31 4.52 8.00 -0.92 -4.96 116.55 118.01 1r27 n ASP 422 Ca -0.34 -0.41 -0.19 0.00 0.71 0.00 0.00 54.79 54.56 1r27 n ASP 422 Cb 0.79 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.30 1r27 n ASP 422 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 423 N 1.50 -0.41 3.29 0.44 0.00 -0.04 -4.97 105.19 105.00 1r27 n GLY 423 Ca 0.05 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1r27 n GLY 423 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r27 s LYS 424 N -5.12 1.20 -0.36 1.61 -2.85 -0.60 -4.97 119.74 108.66 1r27 s LYS 424 Ca 0.08 -1.58 -0.16 0.00 -1.00 0.00 0.00 55.97 53.31 1r27 s LYS 424 Cb -0.03 -0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 35.19 1r27 s LYS 424 CO 0.09 -0.05 0.38 0.08 0.10 0.00 0.00 175.35 175.95 1r27 s VAL 425 N -3.45 5.15 -0.23 1.79 1.01 -1.26 -2.95 120.40 120.47 1r27 s VAL 425 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1r27 s VAL 425 Cb 0.05 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1r27 s VAL 425 CO 0.05 -0.17 -0.02 -0.62 0.00 0.00 0.00 175.10 174.35 1r27 s ASP 426 N 1.75 3.64 -0.10 3.32 -1.08 -1.26 -4.99 116.67 117.94 1r27 s ASP 426 Ca 0.12 -1.14 0.14 0.00 -0.52 0.00 0.00 52.55 51.15 1r27 s ASP 426 Cb -0.17 -1.02 0.47 0.00 -1.46 0.00 0.00 42.92 40.74 1r27 s ASP 426 CO 0.12 -0.27 1.39 0.35 0.52 0.00 0.00 175.17 177.28 1r27 n THR 427 N 4.77 1.73 -0.09 1.71 -2.24 -1.26 -4.50 114.28 114.41 1r27 n THR 427 Ca -0.10 -1.44 -0.07 0.00 -2.27 0.00 0.00 64.05 60.17 1r27 n THR 427 Cb 0.45 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1r27 n THR 427 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1r27 h ARG 428 N 2.20 0.24 -0.77 -0.78 2.43 -1.99 -0.36 114.38 115.34 1r27 h ARG 428 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1r27 h ARG 428 Cb 1.17 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1r27 h ARG 428 CO 0.14 0.16 0.33 0.00 -1.51 0.00 0.00 179.97 179.08 1r27 h ALA 429 N 1.20 1.12 -0.43 2.80 0.00 -1.90 -2.01 119.26 120.05 1r27 h ALA 429 Ca 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1r27 h ALA 429 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1r27 h ALA 429 CO -0.15 0.64 0.07 -0.07 0.00 0.00 0.00 179.25 179.74 1r27 h LEU 430 N 1.11 0.68 -1.14 0.00 3.38 -1.70 -2.86 115.31 114.77 1r27 h LEU 430 Ca 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1r27 h LEU 430 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1r27 h LEU 430 CO -0.03 0.76 0.18 -0.33 0.09 0.00 0.00 178.44 179.12 1r27 h GLU 431 N 0.56 0.78 0.00 1.13 5.08 -0.86 -0.76 114.58 120.51 1r27 h GLU 431 Ca 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1r27 h GLU 431 Cb 0.37 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1r27 h GLU 431 CO 0.01 0.67 -0.07 1.49 -1.00 0.00 0.00 179.01 180.11 1r27 h GLU 432 N 0.77 0.00 -0.25 2.33 4.81 -1.15 -2.87 114.58 118.22 1r27 h GLU 432 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1r27 h GLU 432 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1r27 h GLU 432 CO -0.01 0.07 0.00 1.33 -0.73 0.00 0.00 179.01 179.67 1r27 n VAL 433 N -3.32 0.77 -1.76 0.32 0.24 -0.75 -5.00 118.33 108.83 1r27 n VAL 433 Ca -0.01 -0.89 -0.05 0.00 -2.04 0.00 0.00 64.34 61.36 1r27 n VAL 433 Cb 0.26 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 33.28 1r27 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r27 n GLY 434 N 0.45 0.37 3.59 7.63 0.00 -0.63 -4.99 105.19 111.61 1r27 n GLY 434 Ca 0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1r27 n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 435 N -1.25 3.10 0.49 0.99 1.43 -0.39 -5.02 118.68 118.02 1r27 s LEU 435 Ca 0.00 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1r27 s LEU 435 Cb 0.00 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1r27 s LEU 435 CO 0.00 0.18 0.68 0.42 0.23 0.00 0.00 176.35 177.85 1r27 s THR 436 N -1.23 2.72 0.18 5.49 -4.23 -1.26 -4.06 115.64 113.25 1r27 s THR 436 Ca 0.22 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1r27 s THR 436 Cb -0.11 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1r27 s THR 436 CO 0.14 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.61 1r27 h GLU 437 N 0.37 0.97 -0.60 3.99 5.08 -1.98 -2.14 114.58 120.27 1r27 h GLU 437 Ca -0.38 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1r27 h GLU 437 Cb 1.28 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1r27 h GLU 437 CO 0.45 0.85 0.28 0.00 -1.00 0.00 0.00 179.01 179.60 1r27 h ALA 438 N 1.07 0.79 -0.22 3.43 0.00 -1.99 -0.23 119.26 122.11 1r27 h ALA 438 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1r27 h ALA 438 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1r27 h ALA 438 CO -0.01 -0.09 0.02 1.96 0.00 0.00 0.00 179.25 181.13 1r27 h GLN 439 N 0.52 0.37 -0.76 0.00 4.20 -1.90 -1.78 115.11 115.77 1r27 h GLN 439 Ca 0.28 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.91 1r27 h GLN 439 Cb 0.26 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1r27 h GLN 439 CO -0.23 0.54 0.50 0.00 -0.67 0.00 0.00 178.83 178.97 1r27 h ALA 440 N 0.82 1.53 -0.23 3.87 0.00 -0.96 0.12 119.26 124.41 1r27 h ALA 440 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1r27 h ALA 440 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1r27 h ALA 440 CO 0.01 0.40 -0.44 1.96 0.00 0.00 0.00 179.25 181.18 1r27 h GLN 441 N 0.95 0.57 -0.01 0.00 4.20 -0.84 -1.09 115.11 118.89 1r27 h GLN 441 Ca 0.30 -0.31 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 1r27 h GLN 441 Cb 0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1r27 h GLN 441 CO -0.08 0.90 -0.84 1.49 -0.67 0.00 0.00 178.83 179.63 1r27 h GLU 442 N 0.46 0.24 -0.41 1.46 4.81 -0.55 -1.06 114.58 119.53 1r27 h GLU 442 Ca 0.03 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1r27 h GLU 442 Cb 0.95 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1r27 h GLU 442 CO 0.08 0.95 0.22 0.52 -0.73 0.00 0.00 179.01 180.05 1r27 h MET 443 N 0.14 0.58 -0.54 1.92 2.86 -0.64 -1.30 114.93 117.94 1r27 h MET 443 Ca -0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1r27 h MET 443 Cb 1.45 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.97 1r27 h MET 443 CO 0.13 0.48 0.35 -0.92 1.06 0.00 0.00 176.91 178.01 1r27 h TYR 444 N 0.53 0.69 -0.27 -0.22 3.20 -1.07 0.23 116.97 120.07 1r27 h TYR 444 Ca 0.14 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1r27 h TYR 444 Cb 0.08 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1r27 h TYR 444 CO -0.02 0.45 0.09 -0.09 -1.64 0.00 0.00 178.16 176.94 1r27 h ARG 445 N 0.73 0.20 0.04 1.82 2.43 -0.73 -0.62 114.38 118.24 1r27 h ARG 445 Ca 0.20 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.11 1r27 h ARG 445 Cb -0.06 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1r27 h ARG 445 CO -0.04 0.13 -1.04 1.88 -1.51 0.00 0.00 179.97 179.39 1r27 h TYR 446 N 0.20 0.69 0.18 2.20 -1.99 -0.97 -1.28 116.97 116.01 1r27 h TYR 446 Ca 0.12 -0.40 -0.35 0.00 2.00 0.00 0.00 58.73 60.10 1r27 h TYR 446 Cb 0.09 -0.07 0.01 0.00 2.00 0.00 0.00 36.73 38.76 1r27 h TYR 446 CO -0.13 1.24 -1.75 -0.07 -0.00 0.00 0.00 178.16 177.45 1r27 h LEU 447 N 0.23 0.60 0.00 3.88 3.38 -0.53 -3.31 115.31 119.56 1r27 h LEU 447 Ca -0.11 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 56.94 1r27 h LEU 447 Cb 1.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1r27 h LEU 447 CO 0.18 1.77 -0.72 0.00 0.09 0.00 0.00 178.44 179.76 1r27 n ALA 448 N -2.85 0.61 0.01 1.53 0.00 -0.25 -4.59 120.51 114.98 1r27 n ALA 448 Ca -0.24 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 1r27 n ALA 448 Cb 1.07 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 20.44 1r27 n ALA 448 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r27 h ILE 449 N -1.00 1.24 -6.50 0.00 1.08 -1.56 -3.48 117.51 107.29 1r27 h ILE 449 Ca -0.02 -0.83 -0.50 0.00 -0.39 0.00 0.00 64.86 63.12 1r27 h ILE 449 Cb 0.71 1.80 0.01 0.00 -3.07 0.00 0.00 36.82 36.27 1r27 h ILE 449 CO -0.01 0.21 -0.94 0.00 -0.69 0.00 0.00 178.15 176.72 1r27 n ALA 450 N -2.30 -2.38 -1.73 1.87 0.00 -0.48 -4.92 120.51 110.56 1r27 n ALA 450 Ca -0.08 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 1r27 n ALA 450 Cb 0.20 -2.87 0.06 0.00 0.00 0.00 0.00 19.45 16.84 1r27 n ALA 450 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r27 n ASN 451 N -2.67 2.27 -0.28 0.00 3.02 -1.26 -4.73 115.26 111.62 1r27 n ASN 451 Ca -0.17 0.87 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 1r27 n ASN 451 Cb 0.62 -1.57 0.24 0.00 -0.61 0.00 0.00 39.78 38.46 1r27 n ASN 451 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1r27 h TYR 452 N 0.77 0.36 0.00 3.10 3.20 -1.98 0.25 116.97 122.66 1r27 h TYR 452 Ca -0.51 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1r27 h TYR 452 Cb 1.33 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1r27 h TYR 452 CO 0.42 -0.12 0.00 -0.85 -1.64 0.00 0.00 178.16 175.97 1r27 n GLU 453 N -5.16 0.17 -0.01 1.82 0.00 -1.26 -2.42 120.64 113.78 1r27 n GLU 453 Ca 0.18 0.44 0.05 0.00 0.00 0.00 0.00 57.16 57.83 1r27 n GLU 453 Cb 0.57 -1.85 -0.14 0.00 0.00 0.00 0.00 31.44 30.02 1r27 n GLU 453 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1r27 n ASP 454 N -2.17 0.18 0.10 -1.84 8.00 0.81 -4.41 116.55 117.22 1r27 n ASP 454 Ca 0.02 0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 1r27 n ASP 454 Cb 0.19 1.42 -0.14 0.00 -0.02 0.00 0.00 41.12 42.56 1r27 n ASP 454 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1r27 h ARG 455 N 0.00 0.30 -4.67 -1.24 3.08 -1.03 -3.43 114.38 107.39 1r27 h ARG 455 Ca -0.14 -0.52 -0.63 0.00 0.07 0.00 0.00 59.98 58.77 1r27 h ARG 455 Cb 1.34 0.19 -0.37 0.00 0.08 0.00 0.00 29.97 31.22 1r27 h ARG 455 CO 0.01 1.22 -0.82 -0.06 -1.07 0.00 0.00 179.97 179.25 1r27 s PHE 456 N -2.64 2.53 -0.63 3.04 0.08 -1.06 -0.77 117.98 118.53 1r27 s PHE 456 Ca -0.06 -1.64 0.05 0.00 0.12 0.00 0.00 56.93 55.40 1r27 s PHE 456 Cb 0.07 -1.70 0.18 0.00 -0.57 0.00 0.00 43.02 40.99 1r27 s PHE 456 CO 0.88 -0.76 0.48 0.28 -0.10 0.00 0.00 175.22 176.00 1r27 n VAL 457 N 4.66 1.00 -3.89 -0.44 0.31 -0.48 -4.73 118.33 114.76 1r27 n VAL 457 Ca -0.16 -4.55 -0.35 0.00 -0.01 0.00 0.00 64.34 59.27 1r27 n VAL 457 Cb 0.47 -2.06 -0.14 0.00 -0.91 0.00 0.00 33.84 31.20 1r27 n VAL 457 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1r27 s VAL 458 N -1.19 3.31 0.47 2.52 1.01 -1.26 -4.14 120.40 121.11 1r27 s VAL 458 Ca 0.28 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1r27 s VAL 458 Cb -0.01 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 1r27 s VAL 458 CO -0.17 0.23 0.93 -2.16 0.00 0.00 0.00 175.10 173.93 1r27 s PRO 459 N 1.41 3.96 0.73 2.72 0.04 -1.26 -4.54 135.00 138.06 1r27 s PRO 459 Ca 0.02 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 1r27 s PRO 459 Cb -0.16 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1r27 s PRO 459 CO -0.02 -0.17 1.09 -1.54 0.04 0.00 0.00 177.00 176.40 1r27 s SER 460 N -2.91 5.19 -0.01 6.66 1.04 -1.26 -3.97 113.70 118.44 1r27 s SER 460 Ca 0.58 1.22 0.09 0.00 0.48 0.00 0.00 55.95 58.32 1r27 s SER 460 Cb -0.10 -2.02 0.27 0.00 0.10 0.00 0.00 66.02 64.27 1r27 s SER 460 CO 0.28 -1.51 1.19 -1.54 0.98 0.00 0.00 173.24 172.63 1r27 n SER 461 N -3.13 1.76 -3.56 7.02 3.41 -0.40 -4.85 113.62 113.87 1r27 n SER 461 Ca 0.07 -2.05 -0.23 0.00 -0.26 0.00 0.00 58.87 56.40 1r27 n SER 461 Cb 0.57 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1r27 n SER 461 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1r27 n HIS 462 N 0.35 -2.08 0.29 7.33 8.25 -1.26 -4.84 115.22 123.26 1r27 n HIS 462 Ca 0.10 0.72 0.19 0.00 -0.26 0.00 0.00 57.72 58.47 1r27 n HIS 462 Cb 0.30 -4.05 0.99 0.00 1.12 0.00 0.00 29.99 28.35 1r27 n HIS 462 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r27 h ARG 463 N -1.66 0.00 0.00 -0.41 2.47 -1.92 -1.86 114.38 111.00 1r27 h ARG 463 Ca -0.63 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 1r27 h ARG 463 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1r27 h ARG 463 CO 0.50 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 180.18 1r27 n GLU 464 N -2.83 0.14 0.00 0.04 0.00 -1.26 -5.28 120.64 111.45 1r27 n GLU 464 Ca -0.02 0.47 0.13 0.00 0.00 0.00 0.00 57.16 57.74 1r27 n GLU 464 Cb 0.08 -1.82 0.38 0.00 0.00 0.00 0.00 31.44 30.08 1r27 n GLU 464 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41