#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3naq s SER 29 N 0.00 6.77 0.17 -2.24 0.15 -1.26 -5.00 113.70 112.28 3naq s SER 29 Ca 0.00 2.60 0.10 0.00 0.70 0.00 0.00 55.95 59.35 3naq s SER 29 Cb 0.00 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3naq s SER 29 CO 0.00 -0.59 -0.22 -0.54 1.20 0.00 0.00 173.24 173.09 3naq s LYS 30 N -0.79 1.39 -0.28 5.44 -0.14 -1.26 -5.00 119.74 119.09 3naq s LYS 30 Ca 0.55 -1.43 -0.10 0.00 -1.36 0.00 0.00 55.97 53.62 3naq s LYS 30 Cb -0.40 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 3naq s LYS 30 CO 0.45 0.35 0.16 0.21 -0.76 0.00 0.00 175.35 175.77 3naq s LYS 31 N -2.57 3.82 -0.16 1.68 2.20 -1.26 -1.36 119.74 122.08 3naq s LYS 31 Ca 0.17 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 3naq s LYS 31 Cb -0.08 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3naq s LYS 31 CO 0.08 -0.21 -0.07 0.42 -0.36 0.00 0.00 175.35 175.21 3naq s ILE 32 N 1.72 3.50 -0.14 5.43 -1.09 0.49 -0.77 121.20 130.33 3naq s ILE 32 Ca 0.07 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3naq s ILE 32 Cb -0.16 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.19 3naq s ILE 32 CO 0.09 0.49 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.44 3naq s VAL 33 N 0.60 2.67 -0.07 2.92 1.01 0.16 -0.37 120.40 127.32 3naq s VAL 33 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3naq s VAL 33 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3naq s VAL 33 CO 0.03 0.52 -0.12 -0.83 0.00 0.00 0.00 175.10 174.70 3naq s GLY 34 N 0.64 1.58 -0.16 4.51 0.00 0.86 -0.62 107.32 114.12 3naq s GLY 34 Ca -0.09 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.71 3naq s GLY 34 CO 0.03 -0.62 -0.20 0.14 0.00 0.00 0.00 173.10 172.44 3naq s VAL 35 N -0.53 2.11 0.08 1.40 1.01 0.39 -1.25 120.40 123.61 3naq s VAL 35 Ca 0.07 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3naq s VAL 35 Cb -0.12 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3naq s VAL 35 CO 0.02 0.54 0.17 -0.36 0.00 0.00 0.00 175.10 175.47 3naq s PHE 36 N 1.08 0.17 0.69 5.22 0.40 -0.97 -4.00 117.98 120.57 3naq s PHE 36 Ca -0.00 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.62 3naq s PHE 36 Cb -0.14 -0.08 0.01 0.00 0.51 0.00 0.00 43.02 43.31 3naq s PHE 36 CO -0.08 -0.52 1.06 1.52 0.70 0.00 0.00 175.22 177.91 3naq s TYR 37 N -3.73 3.02 -0.09 0.36 -0.85 -1.26 -3.57 117.35 111.22 3naq s TYR 37 Ca 0.04 1.45 -0.29 0.00 -0.52 0.00 0.00 57.07 57.76 3naq s TYR 37 Cb 0.04 -2.92 -0.02 0.00 0.38 0.00 0.00 41.96 39.45 3naq s TYR 37 CO -0.10 -1.30 0.96 0.15 -1.52 0.00 0.00 175.55 173.73 3naq s LYS 38 N -4.90 4.43 0.05 -3.49 1.02 -1.26 -0.65 119.74 114.94 3naq s LYS 38 Ca 0.59 1.31 0.24 0.00 0.02 0.00 0.00 55.97 58.13 3naq s LYS 38 Cb -0.15 -3.53 0.20 0.00 -0.52 0.00 0.00 37.83 33.84 3naq s LYS 38 CO 0.53 -0.25 1.17 0.00 -0.92 0.00 0.00 175.35 175.88 3naq n ALA 39 N 4.77 3.40 -0.61 5.17 0.00 -1.26 -4.96 120.51 127.01 3naq n ALA 39 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3naq n ALA 39 Cb 0.49 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3naq n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3naq n ASN 40 N -1.87 0.00 0.32 0.00 3.02 -1.26 -1.34 115.26 114.13 3naq n ASN 40 Ca 0.03 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.79 3naq n ASN 40 Cb 0.41 0.00 1.05 0.00 -0.61 0.00 0.00 39.78 40.63 3naq n ASN 40 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3naq h GLU 41 N 0.00 0.00 0.00 3.52 9.09 -2.01 -1.63 114.58 123.55 3naq h GLU 41 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 3naq h GLU 41 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3naq h GLU 41 CO 0.00 0.01 -0.40 1.88 0.05 0.00 0.00 179.01 180.55 3naq h TYR 42 N 0.00 0.00 -0.14 2.06 0.99 -1.62 -0.16 116.97 118.10 3naq h TYR 42 Ca -0.00 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 3naq h TYR 42 Cb 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 3naq h TYR 42 CO 0.00 0.40 -0.43 0.00 -0.00 0.00 0.00 178.16 178.13 3naq h ALA 43 N 1.60 1.01 0.16 3.88 0.00 -1.38 -1.23 119.26 123.30 3naq h ALA 43 Ca -0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 3naq h ALA 43 Cb 0.73 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3naq h ALA 43 CO 0.05 0.62 -1.58 1.79 0.00 0.00 0.00 179.25 180.13 3naq h THR 44 N 0.27 1.12 -0.49 0.00 1.35 -1.49 -3.12 112.91 110.55 3naq h THR 44 Ca 0.02 -2.70 0.04 0.00 -0.55 0.00 0.00 66.41 63.22 3naq h THR 44 Cb 0.87 2.81 -0.03 0.00 -1.73 0.00 0.00 68.15 70.08 3naq h THR 44 CO 0.07 0.83 0.33 0.11 -0.25 0.00 0.00 175.52 176.61 3naq h LYS 45 N 0.09 0.49 -2.93 4.72 1.57 -0.95 -3.35 116.57 116.21 3naq h LYS 45 Ca -0.27 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 57.91 3naq h LYS 45 Cb 2.07 -0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.87 3naq h LYS 45 CO 0.19 0.32 -0.79 1.21 -0.57 0.00 0.00 179.45 179.81 3naq s ASN 46 N -6.50 3.50 0.06 0.86 3.84 -0.47 -4.98 114.94 111.24 3naq s ASN 46 Ca -0.08 -1.80 0.12 0.00 0.21 0.00 0.00 52.86 51.31 3naq s ASN 46 Cb 0.18 -0.57 0.53 0.00 -0.55 0.00 0.00 41.25 40.85 3naq s ASN 46 CO 0.74 -0.37 1.38 -2.65 -2.79 0.00 0.00 177.10 173.40 3naq n PRO 47 N 4.59 0.04 -0.15 0.43 -0.02 -1.18 -0.83 135.00 137.88 3naq n PRO 47 Ca 0.02 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 3naq n PRO 47 Cb 0.40 -1.59 0.27 0.00 -0.02 0.00 0.00 33.50 32.55 3naq n PRO 47 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3naq n ASN 48 N -1.67 2.05 -4.58 2.55 3.02 -1.26 -4.54 115.26 110.83 3naq n ASN 48 Ca 0.02 -1.87 -0.38 0.00 -0.03 0.00 0.00 54.58 52.32 3naq n ASN 48 Cb 0.12 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3naq n ASN 48 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3naq s PHE 49 N -1.61 2.48 -0.25 3.10 5.99 -0.01 -4.78 117.98 122.90 3naq s PHE 49 Ca 0.30 -0.87 0.19 0.00 0.00 0.00 0.00 56.93 56.56 3naq s PHE 49 Cb 0.16 -4.50 0.26 0.00 0.00 0.00 0.00 43.02 38.95 3naq s PHE 49 CO 0.23 -1.62 1.55 -0.07 -0.00 0.00 0.00 175.22 175.31 3naq h LEU 50 N 14.35 0.00 -4.61 6.12 3.38 -1.86 -3.37 115.31 129.32 3naq h LEU 50 Ca 0.35 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.85 3naq h LEU 50 Cb 0.90 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 3naq h LEU 50 CO 1.38 0.27 0.78 0.61 0.09 0.00 0.00 178.44 181.56 3naq n GLY 51 N 1.08 4.13 3.32 0.83 0.00 -1.26 -0.40 105.19 112.88 3naq n GLY 51 Ca 0.03 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 3naq n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3naq h VAL 53 N 2.57 0.68 -0.15 0.00 2.07 -1.09 0.30 116.25 120.62 3naq h VAL 53 Ca -0.32 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 3naq h VAL 53 Cb 1.22 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3naq h VAL 53 CO 0.49 0.10 -0.58 -0.33 0.02 0.00 0.00 177.57 177.27 3naq h GLU 54 N 0.53 0.48 0.00 1.57 3.07 -1.93 -3.22 114.58 115.09 3naq h GLU 54 Ca 0.45 -0.32 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3naq h GLU 54 Cb 0.68 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 3naq h GLU 54 CO -0.39 0.93 -2.01 0.09 -1.40 0.00 0.00 179.01 176.22 3naq n ASN 55 N -3.93 0.69 -3.91 1.42 3.02 -1.17 -5.03 115.26 106.35 3naq n ASN 55 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.25 3naq n ASN 55 Cb 0.62 1.45 0.00 0.00 -0.61 0.00 0.00 39.78 41.24 3naq n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3naq n ALA 56 N -2.37 -1.80 -0.88 5.41 0.00 0.10 -0.72 120.51 120.24 3naq n ALA 56 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3naq n ALA 56 Cb 0.75 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3naq n ALA 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3naq n LEU 57 N -4.41 0.46 -0.85 0.00 4.77 0.46 -3.27 117.00 114.17 3naq n LEU 57 Ca -0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 3naq n LEU 57 Cb 0.63 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 3naq n LEU 57 CO 0.75 -0.34 -0.11 0.61 -1.33 0.00 0.00 177.39 176.97 3naq n GLY 58 N -1.59 1.21 0.27 -0.72 0.00 0.10 -4.84 105.19 99.62 3naq n GLY 58 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.67 3naq n GLY 58 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3naq n ILE 59 N -2.61 0.00 0.06 -0.61 -5.35 -1.20 -4.71 119.36 104.93 3naq n ILE 59 Ca -0.11 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 61.83 3naq n ILE 59 Cb 0.40 1.14 -0.05 0.00 -1.74 0.00 0.00 39.64 39.39 3naq n ILE 59 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3naq h ARG 60 N 1.34 -0.26 -0.65 6.28 2.43 -1.87 0.28 114.38 121.93 3naq h ARG 60 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3naq h ARG 60 Cb 0.36 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3naq h ARG 60 CO 0.00 -0.17 0.41 -0.44 -1.51 0.00 0.00 179.97 178.26 3naq h ASP 61 N -0.27 0.69 0.26 -3.80 3.32 -1.98 -1.05 116.42 113.60 3naq h ASP 61 Ca 0.05 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3naq h ASP 61 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3naq h ASP 61 CO -0.15 0.49 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.49 3naq h TRP 62 N 0.83 -0.33 -0.43 4.55 7.01 -1.81 -0.51 115.95 125.26 3naq h TRP 62 Ca 0.25 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.32 3naq h TRP 62 Cb -0.03 0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 3naq h TRP 62 CO -0.04 -0.13 0.05 -0.07 -2.79 0.00 0.00 178.44 175.46 3naq h LEU 63 N -0.45 -0.06 -0.93 0.65 3.38 -0.80 -2.15 115.31 114.95 3naq h LEU 63 Ca -0.04 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3naq h LEU 63 Cb 0.34 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3naq h LEU 63 CO 0.06 0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 178.13 3naq h GLU 64 N 0.18 0.64 0.00 1.13 5.08 -1.14 -1.82 114.58 118.66 3naq h GLU 64 Ca 0.21 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3naq h GLU 64 Cb 0.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3naq h GLU 64 CO -0.31 0.75 -0.06 0.66 -1.00 0.00 0.00 179.01 179.05 3naq h SER 65 N 0.58 0.00 -0.10 1.42 4.64 -0.53 -0.33 113.55 119.23 3naq h SER 65 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3naq h SER 65 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3naq h SER 65 CO 0.04 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3naq n GLN 66 N -4.12 1.71 -0.83 4.77 1.13 -0.85 -4.93 117.38 114.26 3naq n GLN 66 Ca -0.03 -1.05 0.00 0.00 -1.94 0.00 0.00 57.00 53.98 3naq n GLN 66 Cb 0.15 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3naq n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3naq n GLY 67 N 1.15 0.59 3.90 1.08 0.00 -0.14 -4.90 105.19 106.88 3naq n GLY 67 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3naq n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3naq s HIS 68 N -2.01 3.58 -0.13 1.61 3.76 -0.74 -4.59 115.29 116.76 3naq s HIS 68 Ca 0.00 0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 55.76 3naq s HIS 68 Cb 0.00 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 3naq s HIS 68 CO 0.00 -0.39 0.18 -1.14 -0.85 0.00 0.00 174.74 172.54 3naq s GLN 69 N -4.86 3.75 -0.21 1.40 0.74 -0.47 -4.14 119.66 115.88 3naq s GLN 69 Ca 0.49 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.83 3naq s GLN 69 Cb -0.10 -3.27 0.05 0.00 1.10 0.00 0.00 33.01 30.78 3naq s GLN 69 CO 0.47 0.60 -0.08 -0.47 -0.55 0.00 0.00 175.29 175.26 3naq s TYR 70 N -0.54 2.32 -0.17 1.67 5.04 -1.26 -0.38 117.35 124.03 3naq s TYR 70 Ca 0.14 -1.58 -0.03 0.00 -2.44 0.00 0.00 57.07 53.17 3naq s TYR 70 Cb -0.12 -1.58 -0.02 0.00 0.35 0.00 0.00 41.96 40.59 3naq s TYR 70 CO 0.03 -0.74 -0.06 0.42 -1.34 0.00 0.00 175.55 173.87 3naq s ILE 71 N 1.43 3.57 -0.06 3.14 -1.09 0.50 -5.00 121.20 123.69 3naq s ILE 71 Ca -0.02 -0.46 0.05 0.00 -2.23 0.00 0.00 60.65 57.99 3naq s ILE 71 Cb -0.17 -2.57 -0.00 0.00 -1.58 0.00 0.00 42.46 38.14 3naq s ILE 71 CO -0.07 0.48 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.21 3naq s VAL 72 N 0.69 1.76 0.00 2.92 1.01 -1.26 -0.10 120.40 125.42 3naq s VAL 72 Ca -0.03 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 3naq s VAL 72 Cb -0.15 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3naq s VAL 72 CO 0.02 0.50 0.39 0.28 0.00 0.00 0.00 175.10 176.29 3naq s THR 73 N 0.03 0.05 -2.56 3.92 -1.32 -0.38 -4.98 115.64 110.39 3naq s THR 73 Ca -0.06 -0.41 0.23 0.00 -1.21 0.00 0.00 61.69 60.24 3naq s THR 73 Cb -0.14 -0.79 0.10 0.00 -1.51 0.00 0.00 72.50 70.16 3naq s THR 73 CO 0.04 -0.23 1.18 -0.90 -2.21 0.00 0.00 174.62 172.50 3naq n ASP 74 N 0.95 2.56 -4.38 8.08 5.75 -1.23 -2.29 116.55 126.00 3naq n ASP 74 Ca -0.20 -1.78 -0.45 0.00 -0.01 0.00 0.00 54.79 52.34 3naq n ASP 74 Cb 0.57 0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.86 3naq n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3naq s ASP 75 N -2.22 6.61 0.00 -1.12 2.15 -1.26 -4.79 116.67 116.04 3naq s ASP 75 Ca 0.24 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.99 3naq s ASP 75 Cb 0.19 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 3naq s ASP 75 CO 0.42 -0.85 0.33 2.29 -0.17 0.00 0.00 175.17 177.19 3naq n LYS 76 N 5.35 0.60 -4.98 4.34 2.85 -1.26 -1.58 118.16 123.48 3naq n LYS 76 Ca 0.13 -0.33 -0.32 0.00 -1.05 0.00 0.00 58.31 56.74 3naq n LYS 76 Cb 0.47 -0.81 -0.14 0.00 -0.65 0.00 0.00 35.03 33.90 3naq n LYS 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3naq s GLU 77 N -0.18 2.45 0.00 -1.58 2.02 -1.26 -4.81 118.70 115.33 3naq s GLU 77 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3naq s GLU 77 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3naq s GLU 77 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.29 3naq n GLY 78 N 2.37 1.81 0.24 -1.39 0.00 -1.26 -4.34 105.19 102.62 3naq n GLY 78 Ca -0.17 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3naq n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3naq h PRO 79 N 0.00 0.00 -0.48 1.61 0.13 -2.02 -3.09 132.00 128.15 3naq h PRO 79 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3naq h PRO 79 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3naq h PRO 79 CO 0.00 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 177.58 3naq n ASP 80 N -3.14 3.40 -4.84 1.44 9.92 -1.26 -4.85 116.55 117.22 3naq n ASP 80 Ca 0.02 -1.96 -0.32 0.00 -0.53 0.00 0.00 54.79 52.01 3naq n ASP 80 Cb 0.45 -0.32 0.01 0.00 -0.64 0.00 0.00 41.12 40.62 3naq n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3naq h GLU 82 N 0.02 0.82 -0.91 0.00 4.57 -1.88 -1.28 114.58 115.92 3naq h GLU 82 Ca -0.45 -0.05 0.14 0.00 -1.18 0.00 0.00 59.36 57.82 3naq h GLU 82 Cb 1.20 -0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.51 3naq h GLU 82 CO 0.60 0.54 0.52 1.25 -1.18 0.00 0.00 179.01 180.74 3naq h LEU 83 N 0.84 0.69 -1.39 1.64 5.85 -1.64 -0.51 115.31 120.79 3naq h LEU 83 Ca 0.34 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3naq h LEU 83 Cb 0.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3naq h LEU 83 CO -0.18 0.32 0.00 -0.33 -0.34 0.00 0.00 178.44 177.91 3naq h GLU 84 N 0.76 0.00 0.00 1.25 4.39 -1.51 0.14 114.58 119.61 3naq h GLU 84 Ca 0.48 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 3naq h GLU 84 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3naq h GLU 84 CO -0.33 0.00 -0.14 0.87 -1.16 0.00 0.00 179.01 178.26 3naq h LYS 85 N 0.00 0.00 0.00 2.33 1.57 -1.00 -3.29 116.57 116.19 3naq h LYS 85 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3naq h LYS 85 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3naq h LYS 85 CO 0.00 0.14 -1.50 0.72 -0.57 0.00 0.00 179.45 178.23 3naq n HIS 86 N -3.56 0.00 -0.33 -1.35 8.25 -0.10 -4.50 115.22 113.63 3naq n HIS 86 Ca -0.01 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.64 3naq n HIS 86 Cb 0.27 -0.26 0.40 0.00 1.12 0.00 0.00 29.99 31.52 3naq n HIS 86 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3naq h ILE 87 N 0.00 0.41 0.00 1.59 2.04 -1.24 -1.14 117.51 119.17 3naq h ILE 87 Ca -0.02 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3naq h ILE 87 Cb 0.58 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3naq h ILE 87 CO 0.00 0.08 -0.09 -0.65 0.00 0.00 0.00 178.15 177.49 3naq h PRO 88 N 0.42 0.00 0.00 2.37 0.11 -1.76 -3.32 132.00 129.82 3naq h PRO 88 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 3naq h PRO 88 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3naq h PRO 88 CO -0.55 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 176.93 3naq n ASP 89 N -3.97 0.63 -4.77 -2.05 5.68 -0.90 -1.59 116.55 109.59 3naq n ASP 89 Ca -0.02 -1.22 -0.34 0.00 -0.50 0.00 0.00 54.79 52.71 3naq n ASP 89 Cb 0.18 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3naq n ASP 89 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3naq s LEU 90 N -0.22 3.52 -0.21 -2.12 0.05 -0.48 -4.64 118.68 114.59 3naq s LEU 90 Ca 0.00 2.08 0.09 0.00 0.05 0.00 0.00 54.13 56.35 3naq s LEU 90 Cb 0.00 -4.56 -0.21 0.00 -2.05 0.00 0.00 46.19 39.36 3naq s LEU 90 CO 0.00 -1.50 0.00 1.41 -0.55 0.00 0.00 176.35 175.72 3naq n HIS 91 N -2.00 0.17 -4.29 3.48 8.25 0.05 -1.25 115.22 119.63 3naq n HIS 91 Ca 0.11 0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 3naq n HIS 91 Cb 0.51 -1.03 -0.16 0.00 1.12 0.00 0.00 29.99 30.44 3naq n HIS 91 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3naq s VAL 92 N -2.52 0.66 -0.13 1.59 1.01 -1.03 -0.69 120.40 119.30 3naq s VAL 92 Ca -0.22 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3naq s VAL 92 Cb 0.08 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.85 3naq s VAL 92 CO 0.72 0.23 -0.17 -0.22 0.00 0.00 0.00 175.10 175.67 3naq s LEU 93 N 0.47 1.81 -0.11 3.92 2.96 -0.39 -0.66 118.68 126.68 3naq s LEU 93 Ca -0.07 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3naq s LEU 93 Cb -0.11 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 3naq s LEU 93 CO 0.01 0.01 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.28 3naq s ILE 94 N 1.08 2.97 0.33 6.68 1.01 0.21 -1.68 121.20 131.79 3naq s ILE 94 Ca -0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3naq s ILE 94 Cb -0.14 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3naq s ILE 94 CO -0.04 0.54 0.53 -0.94 0.00 0.00 0.00 174.94 175.02 3naq s SER 95 N 0.16 0.54 0.35 3.58 1.04 -0.80 -0.46 113.70 118.10 3naq s SER 95 Ca -0.08 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.14 3naq s SER 95 Cb -0.15 0.68 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 3naq s SER 95 CO 0.05 -1.33 -0.07 0.42 0.98 0.00 0.00 173.24 173.29 3naq s THR 96 N -3.14 2.31 -0.74 2.02 -4.23 -1.26 -0.94 115.64 109.67 3naq s THR 96 Ca 0.26 -2.15 0.18 0.00 -1.18 0.00 0.00 61.69 58.80 3naq s THR 96 Cb -0.01 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.32 3naq s THR 96 CO 0.16 -0.20 1.57 -0.81 -0.54 0.00 0.00 174.62 174.81 3naq n PRO 97 N -0.83 0.09 0.18 3.99 -0.04 -1.26 -2.53 135.00 134.60 3naq n PRO 97 Ca -0.05 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3naq n PRO 97 Cb 0.63 -1.68 0.31 0.00 -0.04 0.00 0.00 33.50 32.72 3naq n PRO 97 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3naq h PHE 98 N 0.00 0.00 0.00 0.54 0.04 -1.96 -3.37 116.94 112.19 3naq h PHE 98 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 3naq h PHE 98 Cb 0.29 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.30 3naq h PHE 98 CO 0.00 0.00 -0.41 1.58 -0.60 0.00 0.00 178.31 178.88 3naq n HIS 99 N -2.75 -2.83 -2.30 -0.55 -0.00 -1.17 -4.89 115.22 100.73 3naq n HIS 99 Ca 0.04 -1.74 -0.41 0.00 0.46 0.00 0.00 57.72 56.07 3naq n HIS 99 Cb 0.46 1.54 -0.03 0.00 -0.12 0.00 0.00 29.99 31.83 3naq n HIS 99 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3naq s PRO 100 N 0.48 4.46 -0.42 1.57 0.04 -1.05 -4.43 135.00 135.65 3naq s PRO 100 Ca 0.28 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3naq s PRO 100 Cb 0.25 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.62 3naq s PRO 100 CO -0.17 -0.12 1.15 0.00 0.04 0.00 0.00 177.00 177.89 3naq s ALA 101 N -0.24 3.25 0.08 8.56 0.00 -1.26 -5.02 121.76 127.13 3naq s ALA 101 Ca 0.53 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 3naq s ALA 101 Cb -0.35 -3.83 -0.07 0.00 0.00 0.00 0.00 23.12 18.87 3naq s ALA 101 CO 0.39 -2.03 1.42 0.71 0.00 0.00 0.00 175.76 176.25 3naq s TYR 102 N 4.29 3.06 -0.71 0.00 2.02 -1.26 -4.85 117.35 119.91 3naq s TYR 102 Ca 0.48 0.86 -0.05 0.00 -0.37 0.00 0.00 57.07 58.00 3naq s TYR 102 Cb -0.09 -3.70 0.18 0.00 -0.40 0.00 0.00 41.96 37.95 3naq s TYR 102 CO 0.27 -2.53 0.56 0.08 -1.57 0.00 0.00 175.55 172.35 3naq s VAL 103 N 1.59 4.17 0.61 0.71 1.01 0.15 -4.98 120.40 123.67 3naq s VAL 103 Ca 0.65 -3.02 -0.09 0.00 0.00 0.00 0.00 61.98 59.52 3naq s VAL 103 Cb -0.36 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3naq s VAL 103 CO 0.29 -0.94 0.98 0.42 0.00 0.00 0.00 175.10 175.85 3naq s THR 104 N -0.24 4.19 0.30 3.92 -4.23 -1.26 -0.87 115.64 117.45 3naq s THR 104 Ca 0.19 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3naq s THR 104 Cb -0.17 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.28 3naq s THR 104 CO -0.06 -0.81 1.92 0.00 -0.54 0.00 0.00 174.62 175.12 3naq h ALA 105 N -0.29 1.51 -0.54 3.99 0.00 -1.96 -0.15 119.26 121.81 3naq h ALA 105 Ca -0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3naq h ALA 105 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3naq h ALA 105 CO 0.62 0.36 0.29 1.49 0.00 0.00 0.00 179.25 182.02 3naq h GLU 106 N 1.03 0.55 -0.30 0.00 4.81 -2.00 -0.60 114.58 118.08 3naq h GLU 106 Ca 0.38 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 3naq h GLU 106 Cb 0.18 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3naq h GLU 106 CO -0.14 0.36 -0.54 0.00 -0.73 0.00 0.00 179.01 177.97 3naq h ARG 107 N 0.56 0.89 -0.57 1.92 3.08 -1.79 -2.95 114.38 115.52 3naq h ARG 107 Ca 0.24 -0.55 0.05 0.00 0.07 0.00 0.00 59.98 59.78 3naq h ARG 107 Cb 0.12 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3naq h ARG 107 CO -0.15 1.19 0.29 0.82 -1.07 0.00 0.00 179.97 181.05 3naq h ILE 108 N 0.68 0.94 -0.05 2.04 2.04 -0.72 -2.21 117.51 120.23 3naq h ILE 108 Ca 0.02 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3naq h ILE 108 Cb 1.14 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3naq h ILE 108 CO 0.12 0.10 0.04 0.50 0.00 0.00 0.00 178.15 178.91 3naq h LYS 109 N 0.55 0.00 -0.00 2.37 3.64 -0.96 -1.56 116.57 120.60 3naq h LYS 109 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3naq h LYS 109 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3naq h LYS 109 CO -0.18 0.00 -0.18 1.63 -2.27 0.00 0.00 179.45 178.45 3naq n LYS 110 N -4.39 0.42 -3.27 1.90 5.02 -0.85 -4.78 118.16 112.19 3naq n LYS 110 Ca -0.02 -0.16 -0.46 0.00 -2.02 0.00 0.00 58.31 55.66 3naq n LYS 110 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3naq n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3naq s ALA 111 N -2.69 3.67 0.16 7.82 0.00 -0.59 -4.12 121.76 126.01 3naq s ALA 111 Ca 0.22 -2.60 -0.14 0.00 0.00 0.00 0.00 51.96 49.44 3naq s ALA 111 Cb 0.19 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 20.00 3naq s ALA 111 CO 0.54 -2.13 1.74 -0.22 0.00 0.00 0.00 175.76 175.69 3naq h LYS 112 N 8.78 0.76 -0.00 0.00 3.64 -1.48 -3.30 116.57 124.97 3naq h LYS 112 Ca -0.23 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3naq h LYS 112 Cb 1.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3naq h LYS 112 CO 1.01 0.63 -0.68 0.09 -2.27 0.00 0.00 179.45 178.23 3naq n ASN 113 N -4.58 0.99 -4.68 4.20 3.02 -1.25 -4.99 115.26 107.95 3naq n ASN 113 Ca 0.02 -0.99 -0.46 0.00 -0.03 0.00 0.00 54.58 53.12 3naq n ASN 113 Cb 0.12 0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 40.13 3naq n ASN 113 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3naq n LEU 114 N -1.09 3.45 0.00 3.41 7.94 -0.38 -4.30 117.00 126.03 3naq n LEU 114 Ca 0.04 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 3naq n LEU 114 Cb 0.28 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.79 3naq n LEU 114 CO 0.30 -0.09 -0.50 1.17 -1.11 0.00 0.00 177.39 177.16 3naq n LYS 115 N 5.10 1.26 -4.23 1.96 3.00 0.13 -4.93 118.16 120.45 3naq n LYS 115 Ca 0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.26 3naq n LYS 115 Cb 0.31 -1.00 -0.17 0.00 0.00 0.00 0.00 35.03 34.17 3naq n LYS 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3naq s LEU 116 N -4.69 1.37 -0.22 3.14 2.96 -0.91 -1.16 118.68 119.18 3naq s LEU 116 Ca 0.00 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3naq s LEU 116 Cb 0.00 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 3naq s LEU 116 CO 0.00 -0.05 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.15 3naq s LEU 117 N 1.15 2.80 -0.09 -0.68 1.43 0.37 -1.26 118.68 122.40 3naq s LEU 117 Ca -0.06 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3naq s LEU 117 Cb -0.14 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3naq s LEU 117 CO -0.02 -0.03 -0.15 -0.76 0.23 0.00 0.00 176.35 175.63 3naq s LEU 118 N 1.44 2.65 -0.26 1.79 1.43 -0.68 -1.17 118.68 123.88 3naq s LEU 118 Ca 0.05 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3naq s LEU 118 Cb -0.14 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3naq s LEU 118 CO -0.05 0.25 0.24 -0.89 0.23 0.00 0.00 176.35 176.13 3naq s THR 119 N -0.14 5.28 -1.26 5.49 2.01 -0.20 -1.91 115.64 124.92 3naq s THR 119 Ca -0.01 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 3naq s THR 119 Cb -0.14 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 68.92 3naq s THR 119 CO 0.03 0.25 1.59 0.00 -0.69 0.00 0.00 174.62 175.80 3naq n ALA 120 N 4.92 3.75 0.00 7.40 0.00 -0.11 -3.53 120.51 132.94 3naq n ALA 120 Ca -0.12 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.25 3naq n ALA 120 Cb 0.52 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.65 3naq n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3naq n GLY 121 N 4.68 0.51 3.17 0.00 0.00 -1.26 -4.62 105.19 107.67 3naq n GLY 121 Ca 0.43 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 3naq n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3naq s ILE 122 N -3.11 1.53 0.00 -0.61 1.01 -1.26 -1.71 121.20 117.05 3naq s ILE 122 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3naq s ILE 122 Cb 0.00 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3naq s ILE 122 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3naq n GLY 123 N 2.99 3.59 0.12 6.18 0.00 -1.26 -4.72 105.19 112.10 3naq n GLY 123 Ca -0.17 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.94 3naq n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3naq n SER 124 N 0.00 1.80 0.08 1.61 3.41 -1.26 -4.72 113.62 114.54 3naq n SER 124 Ca 0.00 -2.61 0.09 0.00 -0.26 0.00 0.00 58.87 56.08 3naq n SER 124 Cb 0.00 -0.29 0.39 0.00 -0.26 0.00 0.00 64.21 64.05 3naq n SER 124 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3naq n ASP 125 N -0.97 0.37 -0.64 4.04 8.00 -1.26 -1.35 116.55 124.74 3naq n ASP 125 Ca 0.10 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.29 3naq n ASP 125 Cb 0.57 -0.68 0.24 0.00 -0.02 0.00 0.00 41.12 41.23 3naq n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3naq n HIS 126 N -1.93 0.39 -5.12 1.24 1.44 -1.26 -4.85 115.22 105.13 3naq n HIS 126 Ca 0.02 -0.19 -0.32 0.00 -2.01 0.00 0.00 57.72 55.21 3naq n HIS 126 Cb 0.15 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.10 3naq n HIS 126 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3naq s ILE 127 N -1.61 2.34 -0.76 0.61 1.01 -0.46 -0.67 121.20 121.66 3naq s ILE 127 Ca 0.28 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 3naq s ILE 127 Cb 0.15 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3naq s ILE 127 CO 0.21 0.56 1.56 -0.62 0.00 0.00 0.00 174.94 176.65 3naq s ASP 128 N 0.07 5.82 0.23 3.58 3.68 -0.05 -4.86 116.67 125.14 3naq s ASP 128 Ca -0.09 -0.37 -0.04 0.00 2.13 0.00 0.00 52.55 54.18 3naq s ASP 128 Cb -0.15 -2.55 0.23 0.00 -1.45 0.00 0.00 42.92 38.99 3naq s ASP 128 CO 0.06 -2.06 1.66 -0.07 0.13 0.00 0.00 175.17 174.89 3naq h LEU 129 N 14.60 0.77 -0.39 -1.34 3.38 -1.90 -0.24 115.31 130.19 3naq h LEU 129 Ca -0.16 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 3naq h LEU 129 Cb 1.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3naq h LEU 129 CO 1.28 0.94 -0.07 1.56 0.09 0.00 0.00 178.44 182.24 3naq h GLN 130 N 0.69 0.73 -0.69 1.13 7.50 -1.95 0.02 115.11 122.54 3naq h GLN 130 Ca 0.11 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.99 3naq h GLN 130 Cb 0.66 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.11 3naq h GLN 130 CO 0.05 0.86 0.43 0.00 -1.50 0.00 0.00 178.83 178.66 3naq h ALA 131 N 0.85 0.87 -0.38 3.87 0.00 -1.91 0.37 119.26 122.92 3naq h ALA 131 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3naq h ALA 131 Cb 0.57 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3naq h ALA 131 CO 0.03 0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.83 3naq h ALA 132 N 1.23 0.49 -0.33 0.00 0.00 -0.84 -1.46 119.26 118.35 3naq h ALA 132 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3naq h ALA 132 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3naq h ALA 132 CO -0.05 0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.41 3naq h ALA 133 N 1.07 0.41 -0.24 0.00 0.00 -0.84 -0.72 119.26 118.95 3naq h ALA 133 Ca 0.14 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3naq h ALA 133 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3naq h ALA 133 CO -0.02 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.25 3naq h ALA 134 N 1.13 2.18 -0.06 0.00 0.00 -0.64 -0.82 119.26 121.05 3naq h ALA 134 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3naq h ALA 134 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3naq h ALA 134 CO -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.96 3naq n ALA 135 N -2.58 2.56 -1.14 0.00 0.00 -0.58 -4.91 120.51 113.87 3naq n ALA 135 Ca 0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.00 3naq n ALA 135 Cb 0.30 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 3naq n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3naq n GLY 136 N 1.16 0.40 3.91 0.00 0.00 -0.31 -4.98 105.19 105.36 3naq n GLY 136 Ca 0.18 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3naq n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3naq s LEU 137 N -0.08 2.95 -0.10 0.99 1.43 -0.33 -3.44 118.68 120.10 3naq s LEU 137 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3naq s LEU 137 Cb 0.00 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 3naq s LEU 137 CO 0.00 -1.37 -0.12 -0.89 0.23 0.00 0.00 176.35 174.20 3naq s THR 138 N -3.23 3.21 -0.11 5.49 2.01 -0.31 -0.65 115.64 122.06 3naq s THR 138 Ca 0.58 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3naq s THR 138 Cb -0.11 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3naq s THR 138 CO 0.47 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.15 3naq s VAL 139 N -0.12 1.28 0.05 3.82 1.01 0.13 -0.48 120.40 126.10 3naq s VAL 139 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3naq s VAL 139 Cb -0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3naq s VAL 139 CO 0.03 0.40 0.02 0.00 0.00 0.00 0.00 175.10 175.56 3naq s ALA 140 N 1.21 0.28 0.23 5.51 0.00 -0.31 -0.36 121.76 128.32 3naq s ALA 140 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3naq s ALA 140 Cb -0.14 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3naq s ALA 140 CO -0.04 -0.37 0.16 -1.83 0.00 0.00 0.00 175.76 173.68 3naq s GLU 141 N -3.53 1.32 -1.18 0.00 -1.05 -0.24 -1.03 118.70 112.99 3naq s GLU 141 Ca 0.03 -1.71 -0.10 0.00 -0.15 0.00 0.00 54.97 53.04 3naq s GLU 141 Cb 0.05 0.27 0.22 0.00 -0.44 0.00 0.00 34.13 34.23 3naq s GLU 141 CO -0.09 -0.44 1.48 0.28 0.95 0.00 0.00 175.26 177.44 3naq n VAL 142 N -0.34 4.54 -1.70 1.83 0.31 -0.69 -4.50 118.33 117.77 3naq n VAL 142 Ca 0.03 -5.01 -0.44 0.00 -0.01 0.00 0.00 64.34 58.91 3naq n VAL 142 Cb 0.65 -2.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 3naq n VAL 142 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3naq n THR 143 N 3.26 0.43 -0.63 2.52 -1.04 -1.26 -2.62 114.28 114.94 3naq n THR 143 Ca 0.33 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3naq n THR 143 Cb 0.39 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3naq n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3naq n GLY 144 N 3.04 0.81 0.08 3.41 0.00 -1.26 -4.91 105.19 106.36 3naq n GLY 144 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3naq n GLY 144 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3naq n SER 145 N 0.00 0.35 -0.50 1.61 7.64 -1.08 -3.37 113.62 118.27 3naq n SER 145 Ca 0.00 -0.39 0.08 0.00 1.01 0.00 0.00 58.87 59.56 3naq n SER 145 Cb 0.00 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.11 3naq n SER 145 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3naq n ASN 146 N -1.09 1.97 -0.19 6.43 6.94 -1.26 -4.76 115.26 123.30 3naq n ASN 146 Ca 0.13 -1.48 -0.09 0.00 -0.02 0.00 0.00 54.58 53.11 3naq n ASN 146 Cb 0.28 0.20 0.01 0.00 -2.36 0.00 0.00 39.78 37.91 3naq n ASN 146 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 3naq h VAL 147 N 2.45 1.26 -0.49 3.53 -1.51 -1.98 -1.68 116.25 117.82 3naq h VAL 147 Ca 0.00 -1.08 -0.13 0.00 -1.23 0.00 0.00 66.70 64.26 3naq h VAL 147 Cb 0.58 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 3naq h VAL 147 CO 0.00 0.39 -0.19 0.58 -1.23 0.00 0.00 177.57 177.12 3naq h VAL 148 N 0.82 1.27 -0.28 7.19 2.07 -1.85 -2.04 116.25 123.42 3naq h VAL 148 Ca 0.15 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3naq h VAL 148 Cb 0.51 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3naq h VAL 148 CO 0.02 0.47 0.17 0.28 0.02 0.00 0.00 177.57 178.53 3naq h SER 149 N 0.86 0.34 -0.47 0.57 0.02 -1.76 -0.16 113.55 112.95 3naq h SER 149 Ca 0.12 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 3naq h SER 149 Cb 0.76 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3naq h SER 149 CO 0.06 0.29 -0.22 0.58 -1.14 0.00 0.00 176.83 176.40 3naq h VAL 150 N 0.36 1.27 -0.33 2.27 2.07 -1.18 -2.13 116.25 118.58 3naq h VAL 150 Ca 0.10 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3naq h VAL 150 Cb 0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3naq h VAL 150 CO -0.02 0.48 0.22 0.00 0.02 0.00 0.00 177.57 178.26 3naq h ALA 151 N 0.85 0.42 -0.63 1.67 0.00 -0.99 0.09 119.26 120.68 3naq h ALA 151 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3naq h ALA 151 Cb 0.80 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3naq h ALA 151 CO 0.07 -0.12 0.31 0.93 0.00 0.00 0.00 179.25 180.44 3naq h GLU 152 N 0.44 0.55 -0.59 0.00 5.08 -1.00 -1.46 114.58 117.60 3naq h GLU 152 Ca 0.12 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3naq h GLU 152 Cb -0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3naq h GLU 152 CO -0.03 0.36 0.01 0.22 -1.00 0.00 0.00 179.01 178.57 3naq h ASP 153 N 0.56 0.99 -0.06 1.42 3.58 -0.88 0.12 116.42 122.16 3naq h ASP 153 Ca 0.29 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3naq h ASP 153 Cb 0.25 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3naq h ASP 153 CO -0.22 1.04 0.02 -0.33 -2.88 0.00 0.00 179.24 176.87 3naq h GLU 154 N 0.94 0.05 -0.73 0.28 5.08 -0.64 -1.54 114.58 118.02 3naq h GLU 154 Ca 0.17 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3naq h GLU 154 Cb 0.53 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3naq h GLU 154 CO 0.03 0.03 0.47 1.25 -1.00 0.00 0.00 179.01 179.79 3naq h LEU 155 N 0.05 0.80 -0.47 1.33 6.46 -0.83 -0.63 115.31 122.02 3naq h LEU 155 Ca 0.02 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.86 3naq h LEU 155 Cb 0.01 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.68 3naq h LEU 155 CO -0.02 0.56 0.01 -0.03 -0.62 0.00 0.00 178.44 178.35 3naq h MET 156 N 0.94 0.13 -0.36 1.25 4.05 -0.81 -2.12 114.93 118.02 3naq h MET 156 Ca 0.28 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.58 3naq h MET 156 Cb -0.04 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3naq h MET 156 CO -0.09 0.08 -0.23 0.00 0.23 0.00 0.00 176.91 176.90 3naq h ARG 157 N 0.13 0.71 -0.26 0.39 3.08 -0.68 0.75 114.38 118.51 3naq h ARG 157 Ca 0.23 -0.29 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3naq h ARG 157 Cb 0.34 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3naq h ARG 157 CO -0.38 0.88 -0.17 0.82 -1.07 0.00 0.00 179.97 180.06 3naq h ILE 158 N 0.62 0.52 -0.30 2.04 2.04 -0.53 -0.68 117.51 121.22 3naq h ILE 158 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 3naq h ILE 158 Cb 0.72 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3naq h ILE 158 CO 0.06 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 178.17 3naq h LEU 159 N -0.15 0.50 -0.36 1.44 3.38 -1.11 0.50 115.31 119.50 3naq h LEU 159 Ca 0.14 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3naq h LEU 159 Cb 0.37 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 3naq h LEU 159 CO -0.35 0.65 -0.16 0.40 0.09 0.00 0.00 178.44 179.08 3naq h ILE 160 N 0.33 0.51 -0.03 1.22 2.04 -0.61 0.13 117.51 121.10 3naq h ILE 160 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3naq h ILE 160 Cb 0.38 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3naq h ILE 160 CO 0.01 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.09 3naq h LEU 161 N -0.09 0.05 -0.36 1.44 3.38 -1.06 -1.31 115.31 117.35 3naq h LEU 161 Ca 0.18 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3naq h LEU 161 Cb 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3naq h LEU 161 CO -0.42 0.37 0.19 -0.03 0.09 0.00 0.00 178.44 178.64 3naq h MET 162 N -0.27 0.51 -0.01 1.13 4.05 -0.63 -2.61 114.93 117.10 3naq h MET 162 Ca 0.01 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3naq h MET 162 Cb 0.34 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3naq h MET 162 CO 0.00 0.43 -0.10 0.54 0.23 0.00 0.00 176.91 178.02 3naq n ARG 163 N -4.75 1.24 -3.38 0.39 1.74 0.43 -1.02 116.66 111.32 3naq n ARG 163 Ca -0.01 -0.67 -0.18 0.00 -0.77 0.00 0.00 57.85 56.23 3naq n ARG 163 Cb 0.09 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3naq n ARG 163 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3naq n ASN 164 N -0.29 -3.13 -0.06 0.55 5.15 -0.58 -4.65 115.26 112.25 3naq n ASN 164 Ca 0.17 -0.55 -0.10 0.00 -0.60 0.00 0.00 54.58 53.49 3naq n ASN 164 Cb 0.33 -4.77 -0.03 0.00 -0.53 0.00 0.00 39.78 34.78 3naq n ASN 164 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3naq h PHE 165 N -1.97 0.28 -0.06 1.20 3.57 -1.60 -3.31 116.94 115.06 3naq h PHE 165 Ca -0.54 0.01 0.02 0.00 3.53 0.00 0.00 57.97 60.99 3naq h PHE 165 Cb 1.32 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3naq h PHE 165 CO 0.42 0.18 -0.06 0.28 -2.23 0.00 0.00 178.31 176.90 3naq h VAL 166 N 0.31 0.83 -0.62 1.41 2.07 -1.92 0.15 116.25 118.48 3naq h VAL 166 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3naq h VAL 166 Cb -0.03 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3naq h VAL 166 CO -0.02 0.00 0.41 -0.65 0.02 0.00 0.00 177.57 177.33 3naq h PRO 167 N -0.07 0.81 -0.12 1.57 0.11 -1.96 0.15 132.00 132.49 3naq h PRO 167 Ca 0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3naq h PRO 167 Cb 0.14 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3naq h PRO 167 CO -0.11 0.54 0.06 0.78 -0.21 0.00 0.00 178.00 179.06 3naq h GLY 168 N 0.84 0.17 0.75 -0.55 0.00 -1.38 -2.19 103.07 100.71 3naq h GLY 168 Ca 0.23 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3naq h GLY 168 CO -0.05 0.08 0.25 -1.82 0.00 0.00 0.00 176.54 174.99 3naq h TYR 169 N 0.08 0.45 -0.06 5.60 3.20 0.04 -2.84 116.97 123.45 3naq h TYR 169 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3naq h TYR 169 Cb 0.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3naq h TYR 169 CO -0.04 0.23 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.72 3naq h ASN 170 N 0.49 0.07 -0.25 -2.11 2.35 -0.84 -1.25 115.58 114.04 3naq h ASN 170 Ca 0.21 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3naq h ASN 170 Cb 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3naq h ASN 170 CO -0.15 0.17 -0.17 1.56 -1.65 0.00 0.00 177.43 177.19 3naq h GLN 171 N 0.08 0.69 0.28 0.81 4.20 -1.17 -2.73 115.11 117.28 3naq h GLN 171 Ca 0.02 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3naq h GLN 171 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3naq h GLN 171 CO 0.01 0.82 -0.20 0.28 -0.67 0.00 0.00 178.83 179.07 3naq h VAL 172 N 0.62 0.57 -0.99 -0.54 2.07 -1.03 0.77 116.25 117.71 3naq h VAL 172 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3naq h VAL 172 Cb 0.63 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3naq h VAL 172 CO 0.04 0.00 0.65 0.58 0.02 0.00 0.00 177.57 178.86 3naq h VAL 173 N -0.49 1.26 -0.00 2.57 2.07 -1.56 -2.58 116.25 117.52 3naq h VAL 173 Ca -0.02 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3naq h VAL 173 Cb 0.42 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3naq h VAL 173 CO 0.00 0.25 -0.01 0.29 0.02 0.00 0.00 177.57 178.12 3naq n LYS 174 N -4.39 1.06 -0.91 1.57 5.02 -1.03 -4.88 118.16 114.60 3naq n LYS 174 Ca 0.12 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3naq n LYS 174 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3naq n LYS 174 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3naq n GLY 175 N 1.09 0.53 3.93 0.72 0.00 -0.74 -5.03 105.19 105.69 3naq n GLY 175 Ca 0.21 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3naq n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3naq s GLU 176 N -0.45 2.62 -0.38 1.61 2.02 0.19 -5.02 118.70 119.29 3naq s GLU 176 Ca 0.00 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 54.88 3naq s GLU 176 Cb 0.00 -2.26 0.18 0.00 0.10 0.00 0.00 34.13 32.15 3naq s GLU 176 CO 0.00 -0.89 0.61 -0.46 0.02 0.00 0.00 175.26 174.54 3naq s TRP 177 N -3.05 -1.69 -0.42 1.61 -0.11 -1.26 -4.48 118.94 109.53 3naq s TRP 177 Ca 0.56 0.38 0.03 0.00 1.22 0.00 0.00 56.10 58.29 3naq s TRP 177 Cb -0.11 0.28 0.16 0.00 -1.50 0.00 0.00 33.47 32.30 3naq s TRP 177 CO 0.44 -1.15 0.30 1.21 -4.62 0.00 0.00 176.95 173.13 3naq s ASN 178 N 2.04 2.32 0.23 5.86 2.47 -1.26 -5.00 114.94 121.60 3naq s ASN 178 Ca 0.15 -2.82 -0.08 0.00 0.42 0.00 0.00 52.86 50.54 3naq s ASN 178 Cb -0.06 -0.56 0.23 0.00 -1.45 0.00 0.00 41.25 39.42 3naq s ASN 178 CO -0.11 -0.22 1.89 0.58 -3.72 0.00 0.00 177.10 175.53 3naq h VAL 179 N 4.79 1.18 -1.01 -5.21 2.07 -2.00 -2.63 116.25 113.45 3naq h VAL 179 Ca 0.17 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3naq h VAL 179 Cb 0.92 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3naq h VAL 179 CO 0.37 0.21 0.66 0.00 0.02 0.00 0.00 177.57 178.83 3naq h ALA 180 N 1.34 1.33 0.00 1.67 0.00 -1.98 0.22 119.26 121.84 3naq h ALA 180 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3naq h ALA 180 Cb -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.36 3naq h ALA 180 CO -0.09 0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.50 3naq h GLY 181 N 1.27 0.00 0.00 0.00 0.00 -1.90 -2.38 103.07 100.06 3naq h GLY 181 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.36 3naq h GLY 181 CO -0.13 0.00 -2.27 1.39 0.00 0.00 0.00 176.54 175.54 3naq n ILE 182 N -3.01 1.25 0.03 2.60 5.41 -0.34 -4.65 119.36 120.66 3naq n ILE 182 Ca -0.02 -0.38 0.06 0.00 1.00 0.00 0.00 62.75 63.41 3naq n ILE 182 Cb 0.10 -1.62 0.48 0.00 -0.71 0.00 0.00 39.64 37.90 3naq n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3naq h ALA 183 N -0.53 1.83 0.00 -1.39 0.00 -0.45 -2.84 119.26 115.88 3naq h ALA 183 Ca -0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3naq h ALA 183 Cb 1.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3naq h ALA 183 CO -0.26 0.14 0.00 0.10 0.00 0.00 0.00 179.25 179.23 3naq h TYR 184 N 0.42 0.00 0.00 0.00 -0.00 -1.68 -1.66 116.97 114.05 3naq h TYR 184 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.88 3naq h TYR 184 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.80 3naq h TYR 184 CO -0.00 0.00 -0.08 0.54 -0.00 0.00 0.00 178.16 178.62 3naq n ARG 185 N -2.71 1.14 -4.36 0.10 5.12 -1.08 -5.03 116.66 109.84 3naq n ARG 185 Ca 0.00 -2.27 -0.34 0.00 -1.93 0.00 0.00 57.85 53.31 3naq n ARG 185 Cb 0.21 -1.31 -0.12 0.00 -1.16 0.00 0.00 32.46 30.07 3naq n ARG 185 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3naq s ALA 186 N -2.33 3.01 0.16 7.54 0.00 -0.62 -4.48 121.76 125.05 3naq s ALA 186 Ca 0.25 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3naq s ALA 186 Cb 0.22 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 3naq s ALA 186 CO 0.02 0.18 -0.04 0.71 0.00 0.00 0.00 175.76 176.64 3naq s TYR 187 N 0.42 1.20 0.43 0.00 2.02 -0.19 -4.95 117.35 116.28 3naq s TYR 187 Ca -0.03 -0.93 -0.13 0.00 -0.37 0.00 0.00 57.07 55.61 3naq s TYR 187 Cb -0.14 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.68 3naq s TYR 187 CO 0.03 -0.12 0.84 -0.51 -1.57 0.00 0.00 175.55 174.22 3naq s ASP 188 N -3.16 6.59 0.20 2.29 1.01 -1.26 -3.60 116.67 118.73 3naq s ASP 188 Ca 0.20 1.30 0.06 0.00 0.71 0.00 0.00 52.55 54.82 3naq s ASP 188 Cb 0.05 -2.39 0.12 0.00 1.01 0.00 0.00 42.92 41.71 3naq s ASP 188 CO 0.02 -0.44 1.47 0.25 0.21 0.00 0.00 175.17 176.67 3naq h LEU 189 N 1.26 0.14 -9.27 1.23 5.85 -1.93 -3.44 115.31 109.15 3naq h LEU 189 Ca -0.47 -0.10 -0.68 0.00 0.84 0.00 0.00 57.88 57.47 3naq h LEU 189 Cb 1.19 -0.04 0.06 0.00 0.37 0.00 0.00 40.66 42.23 3naq h LEU 189 CO 0.63 0.85 0.36 1.21 -0.34 0.00 0.00 178.44 181.16 3naq n GLU 190 N -3.69 1.06 0.00 1.25 2.13 -1.26 -1.87 120.64 118.26 3naq n GLU 190 Ca -0.02 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3naq n GLU 190 Cb 0.74 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.48 3naq n GLU 190 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3naq n GLY 191 N 2.30 1.95 3.86 8.31 0.00 -0.02 -4.95 105.19 116.64 3naq n GLY 191 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3naq n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3naq s LYS 192 N -0.41 3.90 -0.28 1.61 -0.14 -0.78 -4.50 119.74 119.13 3naq s LYS 192 Ca 0.00 0.67 -0.19 0.00 -1.36 0.00 0.00 55.97 55.10 3naq s LYS 192 Cb 0.00 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.81 3naq s LYS 192 CO 0.00 -0.05 0.56 0.99 -0.76 0.00 0.00 175.35 176.09 3naq s THR 193 N -2.34 5.01 -0.16 2.17 2.01 -1.26 -0.68 115.64 120.39 3naq s THR 193 Ca 0.54 0.83 0.01 0.00 0.31 0.00 0.00 61.69 63.38 3naq s THR 193 Cb -0.10 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3naq s THR 193 CO 0.27 -0.03 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.38 3naq s ILE 194 N 2.43 2.49 -0.15 1.82 -1.09 -0.21 -0.74 121.20 125.74 3naq s ILE 194 Ca 0.23 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 3naq s ILE 194 Cb -0.15 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 3naq s ILE 194 CO 0.10 0.52 -0.12 -0.83 -1.23 0.00 0.00 174.94 173.38 3naq s GLY 195 N 0.91 1.53 -0.21 6.18 0.00 -0.25 -0.64 107.32 114.84 3naq s GLY 195 Ca -0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 3naq s GLY 195 CO -0.02 -0.01 0.18 -1.08 0.00 0.00 0.00 173.10 172.17 3naq s THR 196 N 0.70 5.37 -0.54 0.90 -1.32 -0.49 -0.63 115.64 119.63 3naq s THR 196 Ca -0.06 0.27 -0.20 0.00 -1.21 0.00 0.00 61.69 60.49 3naq s THR 196 Cb -0.15 -3.52 0.06 0.00 -1.51 0.00 0.00 72.50 67.38 3naq s THR 196 CO 0.02 0.39 0.73 -0.69 -2.21 0.00 0.00 174.62 172.86 3naq s VAL 197 N 0.66 4.72 0.00 5.08 1.01 0.39 -1.72 120.40 130.54 3naq s VAL 197 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3naq s VAL 197 Cb -0.12 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3naq s VAL 197 CO 0.01 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.76 3naq n GLY 198 N 5.19 -0.64 2.58 4.51 0.00 0.23 -0.13 105.19 116.93 3naq n GLY 198 Ca -0.05 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 3naq n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3naq n ALA 199 N 0.34 1.76 -1.00 4.61 0.00 -1.25 -4.57 120.51 120.39 3naq n ALA 199 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.06 3naq n ALA 199 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3naq n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3naq n GLY 200 N -0.06 -0.37 0.14 0.00 0.00 -1.26 -4.39 105.19 99.26 3naq n GLY 200 Ca 0.09 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3naq n GLY 200 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3naq h ARG 201 N 0.00 0.39 -0.39 1.61 3.08 -1.98 0.16 114.38 117.25 3naq h ARG 201 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3naq h ARG 201 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3naq h ARG 201 CO 0.00 0.46 -0.01 0.82 -1.07 0.00 0.00 179.97 180.17 3naq h ILE 202 N 0.24 1.26 -0.75 2.04 2.04 -1.92 -1.41 117.51 119.02 3naq h ILE 202 Ca 0.08 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3naq h ILE 202 Cb 0.24 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3naq h ILE 202 CO -0.00 0.35 0.29 1.23 0.00 0.00 0.00 178.15 180.01 3naq h GLY 203 N 0.52 1.20 0.94 5.37 0.00 -1.76 -1.25 103.07 108.10 3naq h GLY 203 Ca 0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3naq h GLY 203 CO 0.02 0.62 0.08 0.50 0.00 0.00 0.00 176.54 177.77 3naq h LYS 204 N 1.09 0.21 -0.91 4.80 1.57 -0.78 -1.17 116.57 121.38 3naq h LYS 204 Ca 0.25 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3naq h LYS 204 Cb 0.23 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3naq h LYS 204 CO -0.02 0.21 0.60 -0.07 -0.57 0.00 0.00 179.45 179.60 3naq h LEU 205 N 0.15 1.01 -0.25 2.94 3.38 -0.97 -1.35 115.31 120.23 3naq h LEU 205 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3naq h LEU 205 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3naq h LEU 205 CO -0.01 0.71 0.16 0.25 0.09 0.00 0.00 178.44 179.64 3naq h LEU 206 N 1.19 0.29 -1.05 1.67 5.85 -1.03 -1.83 115.31 120.39 3naq h LEU 206 Ca 0.35 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3naq h LEU 206 Cb -0.06 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3naq h LEU 206 CO -0.10 0.21 0.37 -0.07 -0.34 0.00 0.00 178.44 178.51 3naq h LEU 207 N 0.33 0.93 -0.87 2.25 3.38 -0.77 0.12 115.31 120.69 3naq h LEU 207 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3naq h LEU 207 Cb -0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3naq h LEU 207 CO -0.02 0.78 0.49 1.56 0.09 0.00 0.00 178.44 181.34 3naq h GLN 208 N 1.03 1.20 0.00 1.13 4.20 -1.08 -1.61 115.11 119.98 3naq h GLN 208 Ca 0.26 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3naq h GLN 208 Cb 0.08 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3naq h GLN 208 CO -0.04 0.87 -0.56 0.00 -0.67 0.00 0.00 178.83 178.43 3naq h ARG 209 N 1.21 0.00 0.00 1.46 3.08 -0.35 -3.17 114.38 116.61 3naq h ARG 209 Ca 0.31 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.27 3naq h ARG 209 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3naq h ARG 209 CO -0.05 0.56 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.92 3naq h LEU 210 N 0.00 0.00 -0.70 3.04 3.38 -0.27 -3.38 115.31 117.38 3naq h LEU 210 Ca -0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3naq h LEU 210 Cb 1.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 3naq h LEU 210 CO 0.07 0.42 -0.18 0.50 0.09 0.00 0.00 178.44 179.34 3naq h LYS 211 N 0.00 -0.00 0.00 1.13 1.63 -1.28 -0.49 116.57 117.56 3naq h LYS 211 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3naq h LYS 211 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3naq h LYS 211 CO 0.05 -0.00 0.00 -0.35 -3.45 0.00 0.00 179.45 175.70 3naq n PRO 212 N -5.47 0.01 0.05 1.90 -0.04 -1.26 -2.83 135.00 127.36 3naq n PRO 212 Ca 0.09 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3naq n PRO 212 Cb 0.36 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.78 3naq n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3naq n PHE 213 N -1.49 0.34 -2.78 0.54 3.01 -0.19 -4.93 117.46 111.96 3naq n PHE 213 Ca 0.05 0.12 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 3naq n PHE 213 Cb 0.23 -0.69 0.03 0.00 -0.01 0.00 0.00 39.48 39.04 3naq n PHE 213 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3naq n GLY 214 N 0.70 0.28 4.00 1.37 0.00 -1.13 -3.98 105.19 106.42 3naq n GLY 214 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 3naq n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3naq s ASN 216 N -4.33 6.19 -0.21 0.00 3.04 0.15 -4.87 114.94 114.90 3naq s ASN 216 Ca 0.54 -1.27 -0.11 0.00 0.04 0.00 0.00 52.86 52.05 3naq s ASN 216 Cb -0.10 -2.25 -0.05 0.00 -1.54 0.00 0.00 41.25 37.31 3naq s ASN 216 CO 0.34 -0.85 0.17 -0.76 -3.04 0.00 0.00 177.10 172.96 3naq s LEU 217 N 2.17 4.19 0.08 3.21 1.43 -1.26 -1.04 118.68 127.45 3naq s LEU 217 Ca 0.09 0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 3naq s LEU 217 Cb -0.23 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3naq s LEU 217 CO 0.08 0.13 -0.24 -0.76 0.23 0.00 0.00 176.35 175.79 3naq s LEU 218 N 0.59 2.23 0.02 1.79 1.43 0.18 -0.85 118.68 124.08 3naq s LEU 218 Ca 0.09 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3naq s LEU 218 Cb -0.12 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3naq s LEU 218 CO 0.01 0.16 0.02 -0.72 0.23 0.00 0.00 176.35 176.05 3naq s TYR 219 N -0.95 0.20 -0.02 0.29 1.13 -0.49 -1.39 117.35 116.12 3naq s TYR 219 Ca 0.10 -0.43 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 3naq s TYR 219 Cb -0.10 -0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 3naq s TYR 219 CO 0.03 -0.22 -0.17 -1.58 -2.51 0.00 0.00 175.55 171.10 3naq s HIS 220 N -1.46 1.63 0.19 -3.49 2.46 -0.70 -0.31 115.29 113.60 3naq s HIS 220 Ca -0.16 -0.37 -0.24 0.00 0.47 0.00 0.00 55.06 54.77 3naq s HIS 220 Cb -0.09 -1.07 0.05 0.00 -0.13 0.00 0.00 32.58 31.34 3naq s HIS 220 CO -0.00 -0.08 0.89 0.34 -2.47 0.00 0.00 174.74 173.42 3naq s ASP 221 N -0.25 -0.20 0.55 9.88 3.68 -1.26 0.76 116.67 129.83 3naq s ASP 221 Ca 0.03 -0.46 0.33 0.00 2.13 0.00 0.00 52.55 54.58 3naq s ASP 221 Cb -0.09 0.56 1.46 0.00 -1.45 0.00 0.00 42.92 43.40 3naq s ASP 221 CO 0.00 -1.03 2.03 0.03 0.13 0.00 0.00 175.17 176.33 3naq h ARG 222 N 2.00 0.00 -4.13 4.34 -0.00 -1.99 -3.43 114.38 111.18 3naq h ARG 222 Ca -0.23 0.00 -0.46 0.00 -0.50 0.00 0.00 59.98 58.80 3naq h ARG 222 Cb 1.24 0.00 -0.35 0.00 0.00 0.00 0.00 29.97 30.86 3naq h ARG 222 CO 0.25 0.04 -0.79 -1.17 0.00 0.00 0.00 179.97 178.30 3naq s LEU 223 N -6.36 1.27 0.43 3.04 2.96 -1.26 -5.13 118.68 113.62 3naq s LEU 223 Ca -0.00 -0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.47 3naq s LEU 223 Cb 0.10 -0.60 -0.08 0.00 0.50 0.00 0.00 46.19 46.11 3naq s LEU 223 CO 0.54 -0.07 1.21 -1.58 -1.32 0.00 0.00 176.35 175.13 3naq s GLN 224 N 1.14 3.90 0.67 1.98 0.74 -1.26 -4.96 119.66 121.87 3naq s GLN 224 Ca -0.07 1.91 -0.12 0.00 0.05 0.00 0.00 55.36 57.13 3naq s GLN 224 Cb -0.14 -2.60 -0.00 0.00 1.10 0.00 0.00 33.01 31.37 3naq s GLN 224 CO -0.01 -0.47 1.06 -1.64 -0.55 0.00 0.00 175.29 173.68 3naq s MET 225 N -2.43 3.04 0.45 1.67 -1.94 -1.26 -5.01 119.30 113.83 3naq s MET 225 Ca 0.60 0.99 -0.23 0.00 -1.71 0.00 0.00 55.69 55.34 3naq s MET 225 Cb -0.32 -2.00 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 3naq s MET 225 CO 0.40 -1.02 0.91 0.00 -0.01 0.00 0.00 175.02 175.31 3naq n ALA 226 N -2.90 -0.12 0.08 3.03 0.00 -1.26 -4.73 120.51 114.62 3naq n ALA 226 Ca 0.08 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.81 3naq n ALA 226 Cb 0.53 -2.03 0.60 0.00 0.00 0.00 0.00 19.45 18.55 3naq n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3naq h PRO 227 N 1.23 0.16 -0.35 0.00 0.11 -1.99 -0.94 132.00 130.22 3naq h PRO 227 Ca -0.44 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3naq h PRO 227 Cb 1.35 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 3naq h PRO 227 CO 0.55 0.10 0.06 0.93 -0.21 0.00 0.00 178.00 179.43 3naq h GLU 228 N 0.16 0.17 -0.06 1.05 5.08 -1.99 0.11 114.58 119.11 3naq h GLU 228 Ca 0.15 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 3naq h GLU 228 Cb 0.38 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.59 3naq h GLU 228 CO -0.02 0.12 -0.87 1.25 -1.00 0.00 0.00 179.01 178.49 3naq h LEU 229 N 0.18 0.69 -0.61 1.33 6.46 -1.55 -0.21 115.31 121.59 3naq h LEU 229 Ca 0.17 -0.50 0.02 0.00 -0.12 0.00 0.00 57.88 57.45 3naq h LEU 229 Cb 0.19 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 3naq h LEU 229 CO -0.22 1.28 0.39 -0.33 -0.62 0.00 0.00 178.44 178.94 3naq h GLU 230 N 0.35 0.75 -0.67 1.25 5.08 -1.20 -0.65 114.58 119.49 3naq h GLU 230 Ca -0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3naq h GLU 230 Cb 1.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3naq h GLU 230 CO 0.16 0.50 0.10 1.57 -1.00 0.00 0.00 179.01 180.34 3naq h LYS 231 N 0.77 1.10 -0.40 2.33 -0.00 -0.42 0.37 116.57 120.33 3naq h LYS 231 Ca 0.24 -0.30 -0.13 0.00 -0.00 0.00 0.00 60.65 60.46 3naq h LYS 231 Cb -0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 32.23 32.07 3naq h LYS 231 CO -0.08 1.01 -0.28 0.93 -0.00 0.00 0.00 179.45 181.03 3naq h GLU 232 N 1.03 0.86 0.00 0.07 5.08 -0.78 -2.98 114.58 117.87 3naq h GLU 232 Ca 0.20 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3naq h GLU 232 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3naq h GLU 232 CO 0.01 1.03 -1.09 1.79 -1.00 0.00 0.00 179.01 179.76 3naq h THR 233 N 0.73 0.16 0.00 1.13 1.35 -1.10 -3.48 112.91 111.70 3naq h THR 233 Ca 0.08 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3naq h THR 233 Cb 0.84 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3naq h THR 233 CO 0.07 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 3naq n GLY 234 N 1.24 0.29 3.75 5.82 0.00 0.13 -4.50 105.19 111.92 3naq n GLY 234 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3naq n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3naq s ALA 235 N -1.59 3.34 -0.13 4.61 0.00 -1.10 -4.47 121.76 122.41 3naq s ALA 235 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 3naq s ALA 235 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3naq s ALA 235 CO 0.00 0.12 -0.09 0.21 0.00 0.00 0.00 175.76 176.00 3naq s LYS 236 N -1.02 3.44 0.13 0.00 2.20 -0.03 -4.69 119.74 119.77 3naq s LYS 236 Ca 0.42 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 3naq s LYS 236 Cb -0.26 -2.73 -0.07 0.00 -1.51 0.00 0.00 37.83 33.26 3naq s LYS 236 CO 0.33 0.26 1.09 0.12 -0.36 0.00 0.00 175.35 176.79 3naq s PHE 237 N 0.26 3.60 -0.29 4.03 5.36 -1.26 -1.39 117.98 128.29 3naq s PHE 237 Ca -0.07 1.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.50 3naq s PHE 237 Cb -0.15 -3.26 0.08 0.00 -0.34 0.00 0.00 43.02 39.35 3naq s PHE 237 CO 0.04 -0.57 -0.00 0.08 -1.46 0.00 0.00 175.22 173.31 3naq s VAL 238 N 0.11 1.75 0.20 3.12 1.01 0.57 -4.90 120.40 122.27 3naq s VAL 238 Ca 0.51 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 3naq s VAL 238 Cb -0.28 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.09 3naq s VAL 238 CO 0.33 -0.35 1.84 -0.08 0.00 0.00 0.00 175.10 176.84 3naq h GLU 239 N 7.84 0.79 -5.19 2.72 4.57 -1.94 -3.40 114.58 119.97 3naq h GLU 239 Ca -0.13 -0.05 -0.66 0.00 -1.18 0.00 0.00 59.36 57.34 3naq h GLU 239 Cb 1.04 -0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.29 3naq h GLU 239 CO 0.46 0.52 -0.04 0.34 -1.18 0.00 0.00 179.01 179.12 3naq s ASP 240 N -5.72 6.28 0.40 1.04 -1.08 -1.26 -4.92 116.67 111.41 3naq s ASP 240 Ca -0.13 -0.34 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 3naq s ASP 240 Cb 0.15 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 40.16 3naq s ASP 240 CO 0.76 -0.62 1.97 0.25 0.52 0.00 0.00 175.17 178.06 3naq h LEU 241 N 9.30 0.31 -0.83 -1.34 5.85 -2.00 -1.27 115.31 125.33 3naq h LEU 241 Ca -0.27 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3naq h LEU 241 Cb 1.11 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3naq h LEU 241 CO 0.82 0.36 -0.01 0.78 -0.34 0.00 0.00 178.44 180.05 3naq h ASN 242 N 0.34 0.00 -0.08 1.25 2.35 -1.96 -0.53 115.58 116.95 3naq h ASN 242 Ca 0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 3naq h ASN 242 Cb 0.21 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.58 3naq h ASN 242 CO 0.00 0.01 -0.39 -0.08 -1.65 0.00 0.00 177.43 175.32 3naq h GLU 243 N 0.00 0.41 -0.19 0.81 4.81 -1.73 -3.38 114.58 115.31 3naq h GLU 243 Ca -0.00 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3naq h GLU 243 Cb 0.73 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3naq h GLU 243 CO 0.00 0.97 0.03 1.98 -0.73 0.00 0.00 179.01 181.26 3naq h MET 244 N -0.06 0.30 -0.66 1.92 4.05 -0.64 -3.37 114.93 116.49 3naq h MET 244 Ca -0.03 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 3naq h MET 244 Cb 1.04 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.78 3naq h MET 244 CO 0.08 0.46 0.36 -0.07 0.23 0.00 0.00 176.91 177.97 3naq h LEU 245 N 0.10 0.82 -2.12 3.39 3.38 -1.29 -1.96 115.31 117.64 3naq h LEU 245 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3naq h LEU 245 Cb 0.30 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3naq h LEU 245 CO 0.00 0.68 -0.00 -0.65 0.09 0.00 0.00 178.44 178.56 3naq h PRO 246 N 0.90 0.00 0.00 1.13 0.11 -1.76 -2.48 132.00 129.89 3naq h PRO 246 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3naq h PRO 246 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3naq h PRO 246 CO -0.04 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.39 3naq n LYS 247 N -3.10 0.25 -3.12 1.05 5.02 -0.74 -4.03 118.16 113.49 3naq n LYS 247 Ca -0.01 0.24 -0.39 0.00 -2.02 0.00 0.00 58.31 56.13 3naq n LYS 247 Cb 0.21 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.35 3naq n LYS 247 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3naq h ASP 249 N 6.62 0.57 -3.58 0.00 3.32 -1.27 -3.41 116.42 118.67 3naq h ASP 249 Ca -0.41 -0.43 -0.50 0.00 0.02 0.00 0.00 57.03 55.70 3naq h ASP 249 Cb 1.19 -0.17 -0.33 0.00 0.22 0.00 0.00 39.33 40.25 3naq h ASP 249 CO 0.75 1.21 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.97 3naq s VAL 250 N -3.40 1.11 -0.12 -1.35 1.01 -0.91 -1.13 120.40 115.61 3naq s VAL 250 Ca -0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3naq s VAL 250 Cb 0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3naq s VAL 250 CO 0.86 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 175.56 3naq s ILE 251 N 0.47 3.15 -0.16 2.22 1.01 0.47 -1.10 121.20 127.27 3naq s ILE 251 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3naq s ILE 251 Cb -0.14 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3naq s ILE 251 CO 0.03 0.53 -0.15 -0.69 0.00 0.00 0.00 174.94 174.65 3naq s VAL 252 N 0.23 2.64 -0.24 2.92 1.01 0.20 -0.93 120.40 126.23 3naq s VAL 252 Ca -0.08 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 3naq s VAL 252 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3naq s VAL 252 CO 0.05 0.52 0.70 -0.63 0.00 0.00 0.00 175.10 175.73 3naq s ILE 253 N 0.84 4.94 -0.30 2.22 -1.09 -0.14 -0.46 121.20 127.20 3naq s ILE 253 Ca -0.05 1.29 0.19 0.00 -2.23 0.00 0.00 60.65 59.85 3naq s ILE 253 Cb -0.15 -4.00 0.47 0.00 -1.58 0.00 0.00 42.46 37.21 3naq s ILE 253 CO -0.01 0.01 1.02 0.59 -1.23 0.00 0.00 174.94 175.32 3naq n ASN 254 N 5.69 1.38 -4.41 3.58 3.02 0.82 -4.12 115.26 121.23 3naq n ASN 254 Ca 0.01 -2.48 -0.21 0.00 -0.03 0.00 0.00 54.58 51.88 3naq n ASN 254 Cb 0.49 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 3naq n ASN 254 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3naq s MET 255 N -3.24 1.50 0.67 3.52 -1.94 -1.19 -4.25 119.30 114.37 3naq s MET 255 Ca 0.27 -1.72 -0.12 0.00 -1.71 0.00 0.00 55.69 52.41 3naq s MET 255 Cb 0.41 -1.25 0.00 0.00 2.01 0.00 0.00 34.83 36.00 3naq s MET 255 CO 0.01 0.14 1.06 -1.25 -0.01 0.00 0.00 175.02 174.97 3naq s PRO 256 N -3.66 2.98 -0.38 2.03 0.04 -1.26 -4.57 135.00 130.18 3naq s PRO 256 Ca 0.27 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 3naq s PRO 256 Cb 0.01 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3naq s PRO 256 CO 0.11 -1.07 1.39 -1.17 0.04 0.00 0.00 177.00 176.29 3naq s LEU 257 N -5.30 3.67 0.36 -3.56 2.96 -1.26 -4.75 118.68 110.79 3naq s LEU 257 Ca 0.60 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.47 3naq s LEU 257 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3naq s LEU 257 CO 0.50 -1.34 0.09 0.42 -1.32 0.00 0.00 176.35 174.70 3naq s THR 258 N 5.16 0.87 0.33 3.68 -4.23 -1.26 -4.96 115.64 115.23 3naq s THR 258 Ca 0.60 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 3naq s THR 258 Cb -0.14 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.44 3naq s THR 258 CO 0.30 0.00 1.81 1.05 -0.54 0.00 0.00 174.62 177.24 3naq h GLU 259 N 1.98 0.69 -0.22 3.99 9.09 -1.95 -0.20 114.58 127.97 3naq h GLU 259 Ca -0.38 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 58.80 3naq h GLU 259 Cb 1.26 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3naq h GLU 259 CO 0.63 0.46 -0.60 -0.22 0.05 0.00 0.00 179.01 179.33 3naq h LYS 260 N 0.71 0.74 0.00 1.06 3.11 -1.97 -3.30 116.57 116.92 3naq h LYS 260 Ca 0.54 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3naq h LYS 260 Cb 0.89 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 3naq h LYS 260 CO -0.31 1.12 -0.90 0.25 -2.81 0.00 0.00 179.45 176.80 3naq n THR 261 N -3.97 0.29 -1.80 1.00 -2.24 -1.01 -4.64 114.28 101.92 3naq n THR 261 Ca -0.05 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 3naq n THR 261 Cb 0.65 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3naq n THR 261 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3naq s ARG 262 N -3.22 4.16 -1.01 -0.78 3.52 -0.12 -1.80 118.95 119.70 3naq s ARG 262 Ca 0.04 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 3naq s ARG 262 Cb 0.13 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 3naq s ARG 262 CO 0.77 -0.81 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 3naq n GLY 263 N 4.17 0.99 0.21 8.12 0.00 0.99 -4.86 105.19 114.82 3naq n GLY 263 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.08 3naq n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3naq h MET 264 N 0.09 0.16 -5.06 1.61 -0.00 -0.62 -3.17 114.93 107.94 3naq h MET 264 Ca -0.20 -0.05 -0.72 0.00 -0.00 0.00 0.00 59.70 58.74 3naq h MET 264 Cb 0.97 -0.01 -0.15 0.00 -0.00 0.00 0.00 31.60 32.40 3naq h MET 264 CO 0.29 0.42 1.48 -0.06 -0.00 0.00 0.00 176.91 179.04 3naq s PHE 265 N -4.45 3.28 0.06 -0.10 0.40 -0.98 -4.67 117.98 111.53 3naq s PHE 265 Ca -0.04 -1.91 0.01 0.00 -0.60 0.00 0.00 56.93 54.38 3naq s PHE 265 Cb 0.15 -4.42 0.01 0.00 0.51 0.00 0.00 43.02 39.27 3naq s PHE 265 CO 0.74 -1.51 0.07 0.27 0.70 0.00 0.00 175.22 175.48 3naq n ASN 266 N 6.42 0.67 -0.18 1.36 0.23 -1.20 -1.55 115.26 121.02 3naq n ASN 266 Ca 0.38 -1.18 -0.06 0.00 -0.53 0.00 0.00 54.58 53.19 3naq n ASN 266 Cb 0.44 -0.03 0.04 0.00 -2.08 0.00 0.00 39.78 38.15 3naq n ASN 266 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3naq h LYS 267 N 0.00 0.67 0.14 -3.83 3.11 -1.92 0.17 116.57 114.91 3naq h LYS 267 Ca -0.03 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.78 3naq h LYS 267 Cb 0.13 -0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 3naq h LYS 267 CO 0.05 0.44 -0.30 1.49 -2.81 0.00 0.00 179.45 178.32 3naq h GLU 268 N 0.69 -0.52 -0.26 1.90 4.57 -1.95 0.11 114.58 119.12 3naq h GLU 268 Ca 0.21 0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3naq h GLU 268 Cb -0.03 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3naq h GLU 268 CO -0.07 -0.34 -0.27 1.25 -1.18 0.00 0.00 179.01 178.40 3naq h LEU 269 N -0.54 0.68 -0.89 1.64 6.46 -1.76 -2.78 115.31 118.13 3naq h LEU 269 Ca 0.02 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 3naq h LEU 269 Cb 0.55 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3naq h LEU 269 CO -0.16 1.02 0.58 0.40 -0.62 0.00 0.00 178.44 179.66 3naq h ILE 270 N 0.36 1.16 -0.63 4.05 2.04 -0.56 -0.89 117.51 123.04 3naq h ILE 270 Ca 0.04 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.67 3naq h ILE 270 Cb 0.83 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3naq h ILE 270 CO 0.07 0.21 0.44 1.23 0.00 0.00 0.00 178.15 180.10 3naq h GLY 271 N 1.13 0.23 1.59 5.37 0.00 -0.51 -1.30 103.07 109.58 3naq h GLY 271 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3naq h GLY 271 CO -0.11 0.02 -0.29 0.28 0.00 0.00 0.00 176.54 176.43 3naq n LYS 272 N -4.40 0.24 -1.82 4.80 5.02 -0.35 -4.87 118.16 116.78 3naq n LYS 272 Ca 0.12 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 56.21 3naq n LYS 272 Cb 0.61 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 3naq n LYS 272 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3naq s LEU 273 N -4.21 3.46 0.24 -0.35 1.43 -0.49 -4.40 118.68 114.36 3naq s LEU 273 Ca 0.09 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 3naq s LEU 273 Cb 0.14 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.65 3naq s LEU 273 CO 0.65 -1.64 1.20 0.29 0.23 0.00 0.00 176.35 177.09 3naq n LYS 274 N -2.22 1.58 -1.76 1.70 5.02 -1.26 -4.91 118.16 116.32 3naq n LYS 274 Ca 0.11 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 3naq n LYS 274 Cb 0.51 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 3naq n LYS 274 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3naq s LYS 275 N -0.89 4.14 0.00 1.97 2.20 -1.26 -1.61 119.74 124.28 3naq s LYS 275 Ca 0.66 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.84 3naq s LYS 275 Cb -0.72 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3naq s LYS 275 CO 0.55 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 3naq n GLY 276 N 3.80 0.74 3.64 5.54 0.00 0.40 -4.95 105.19 114.37 3naq n GLY 276 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3naq n GLY 276 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3naq n VAL 277 N -2.38 2.93 -4.52 1.61 3.14 -0.63 -3.32 118.33 115.15 3naq n VAL 277 Ca 0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 3naq n VAL 277 Cb 0.00 -1.30 -0.12 0.00 -1.06 0.00 0.00 33.84 31.36 3naq n VAL 277 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3naq s LEU 278 N -1.46 3.16 -0.10 6.55 1.43 -0.28 0.01 118.68 127.98 3naq s LEU 278 Ca 0.67 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 3naq s LEU 278 Cb -0.49 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3naq s LEU 278 CO 0.54 0.23 -0.19 -0.63 0.23 0.00 0.00 176.35 176.52 3naq s ILE 279 N -0.02 1.74 -0.11 -0.59 1.01 -0.18 -0.39 121.20 122.65 3naq s ILE 279 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3naq s ILE 279 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 3naq s ILE 279 CO 0.03 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 3naq s VAL 280 N 0.57 2.61 -0.33 2.92 1.01 -0.10 -0.90 120.40 126.18 3naq s VAL 280 Ca -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3naq s VAL 280 Cb -0.17 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.29 3naq s VAL 280 CO 0.05 0.54 0.27 0.21 0.00 0.00 0.00 175.10 176.17 3naq s ASN 281 N 0.31 2.22 -0.22 3.32 2.47 0.34 -0.97 114.94 122.41 3naq s ASN 281 Ca -0.14 -1.49 0.15 0.00 0.42 0.00 0.00 52.86 51.80 3naq s ASN 281 Cb -0.17 0.12 0.63 0.00 -1.45 0.00 0.00 41.25 40.38 3naq s ASN 281 CO 0.07 -0.34 1.56 0.59 -3.72 0.00 0.00 177.10 175.26 3naq n ASN 282 N 4.64 4.35 0.00 -4.21 4.13 -1.26 -3.18 115.26 119.73 3naq n ASN 282 Ca 0.05 -3.09 0.00 0.00 1.68 0.00 0.00 54.58 53.22 3naq n ASN 282 Cb 0.43 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 3naq n ASN 282 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3naq n ALA 283 N -0.25 0.00 -3.24 5.41 0.00 -1.26 -4.86 120.51 116.31 3naq n ALA 283 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 3naq n ALA 283 Cb 1.05 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.38 3naq n ALA 283 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3naq s ARG 284 N 0.00 0.26 0.26 0.00 1.81 -1.26 -4.94 118.95 115.08 3naq s ARG 284 Ca 0.00 0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 54.33 3naq s ARG 284 Cb 0.00 0.09 0.32 0.00 -0.45 0.00 0.00 34.95 34.90 3naq s ARG 284 CO 0.00 -0.06 1.93 0.78 -0.68 0.00 0.00 175.30 177.27 3naq h GLY 285 N 6.05 1.31 1.27 -3.53 0.00 -1.74 -2.99 103.07 103.43 3naq h GLY 285 Ca -0.29 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3naq h GLY 285 CO 0.36 0.50 0.00 0.00 0.00 0.00 0.00 176.54 177.40 3naq n ALA 286 N -2.40 2.28 0.15 3.60 0.00 -1.26 -1.72 120.51 121.16 3naq n ALA 286 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3naq n ALA 286 Cb 0.03 -1.38 0.37 0.00 0.00 0.00 0.00 19.45 18.48 3naq n ALA 286 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3naq h ILE 287 N 0.00 1.22 -3.31 0.00 2.04 -1.72 0.28 117.51 116.01 3naq h ILE 287 Ca 0.00 -1.01 -0.56 0.00 1.00 0.00 0.00 64.86 64.29 3naq h ILE 287 Cb 0.10 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3naq h ILE 287 CO 0.00 0.30 0.02 -0.04 0.00 0.00 0.00 178.15 178.43 3naq s MET 288 N -4.48 4.31 -0.09 2.37 -1.94 -0.70 -1.88 119.30 116.89 3naq s MET 288 Ca -0.04 0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 54.47 3naq s MET 288 Cb 0.15 -3.27 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 3naq s MET 288 CO 0.73 0.54 1.27 -1.21 -0.01 0.00 0.00 175.02 176.34 3naq s GLU 289 N -0.84 4.29 0.09 2.03 2.02 -0.60 -4.50 118.70 121.20 3naq s GLU 289 Ca 0.31 1.72 -0.22 0.00 0.02 0.00 0.00 54.97 56.81 3naq s GLU 289 Cb -0.20 -3.66 -0.12 0.00 0.10 0.00 0.00 34.13 30.25 3naq s GLU 289 CO 0.20 -0.59 1.68 -0.09 0.02 0.00 0.00 175.26 176.48 3naq h ARG 290 N 7.90 0.15 -0.04 1.61 1.12 -1.89 -2.33 114.38 120.90 3naq h ARG 290 Ca -0.32 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.38 3naq h ARG 290 Cb 1.14 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3naq h ARG 290 CO 0.92 0.19 -0.68 0.37 -3.11 0.00 0.00 179.97 177.66 3naq h GLN 291 N 0.08 0.21 -0.98 0.20 5.75 -1.97 -2.80 115.11 115.60 3naq h GLN 291 Ca 0.04 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3naq h GLN 291 Cb 0.08 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 3naq h GLN 291 CO -0.01 0.81 0.64 0.00 -2.65 0.00 0.00 178.83 177.62 3naq h ALA 292 N 1.14 1.41 -0.31 3.38 0.00 -1.83 0.80 119.26 123.85 3naq h ALA 292 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3naq h ALA 292 Cb 1.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3naq h ALA 292 CO 0.10 0.46 0.03 0.28 0.00 0.00 0.00 179.25 180.12 3naq h VAL 293 N 1.17 1.25 -0.20 0.00 2.07 -1.29 -2.07 116.25 117.18 3naq h VAL 293 Ca 0.41 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3naq h VAL 293 Cb 0.12 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3naq h VAL 293 CO -0.15 0.29 0.08 0.58 0.02 0.00 0.00 177.57 178.38 3naq h VAL 294 N 0.35 0.97 -0.89 2.57 2.07 -1.07 -0.63 116.25 119.62 3naq h VAL 294 Ca 0.09 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3naq h VAL 294 Cb 0.39 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3naq h VAL 294 CO 0.01 0.03 0.58 0.44 0.02 0.00 0.00 177.57 178.66 3naq h ASP 295 N 0.18 1.00 1.52 0.57 3.45 -0.83 0.40 116.42 122.71 3naq h ASP 295 Ca 0.08 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 3naq h ASP 295 Cb 0.04 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 3naq h ASP 295 CO -0.08 0.71 -0.38 0.00 -1.57 0.00 0.00 179.24 177.92 3naq h ALA 296 N 1.34 0.77 -0.01 3.45 0.00 -1.13 -0.83 119.26 122.86 3naq h ALA 296 Ca 0.33 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3naq h ALA 296 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.65 3naq h ALA 296 CO -0.09 0.48 -0.81 0.28 0.00 0.00 0.00 179.25 179.11 3naq h VAL 297 N 0.00 1.35 -0.19 0.00 2.07 -0.82 0.27 116.25 118.94 3naq h VAL 297 Ca -0.00 -2.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 3naq h VAL 297 Cb 1.24 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3naq h VAL 297 CO 0.05 0.65 -0.07 -0.33 0.02 0.00 0.00 177.57 177.89 3naq h GLU 298 N 0.15 0.28 0.00 1.57 5.08 -0.76 -2.39 114.58 118.51 3naq h GLU 298 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3naq h GLU 298 Cb 1.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3naq h GLU 298 CO 0.16 0.37 0.00 -1.13 -1.00 0.00 0.00 179.01 177.41 3naq n SER 299 N -4.31 0.66 0.00 1.42 3.41 -0.33 -4.92 113.62 109.55 3naq n SER 299 Ca -0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3naq n SER 299 Cb 0.24 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3naq n SER 299 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3naq n GLY 300 N 1.30 0.82 0.29 5.00 0.00 -0.90 -4.94 105.19 106.76 3naq n GLY 300 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3naq n GLY 300 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3naq h HIS 301 N 0.00 1.08 -3.53 1.61 6.17 -0.86 -3.23 115.15 116.39 3naq h HIS 301 Ca 0.00 -0.20 -0.61 0.00 0.71 0.00 0.00 60.37 60.27 3naq h HIS 301 Cb 0.00 -0.28 -0.12 0.00 2.52 0.00 0.00 27.41 29.54 3naq h HIS 301 CO 0.00 1.00 -0.06 0.42 0.71 0.00 0.00 177.93 179.99 3naq s ILE 302 N -4.90 5.11 0.12 6.26 1.01 0.33 -0.45 121.20 128.67 3naq s ILE 302 Ca -0.11 0.87 0.13 0.00 0.00 0.00 0.00 60.65 61.54 3naq s ILE 302 Cb 0.13 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 3naq s ILE 302 CO 0.85 0.15 1.53 1.23 0.00 0.00 0.00 174.94 178.70 3naq h GLY 303 N 8.29 0.00 -4.78 6.18 0.00 -0.41 -3.38 103.07 108.96 3naq h GLY 303 Ca -0.32 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.18 3naq h GLY 303 CO 0.72 0.00 0.78 -0.32 0.00 0.00 0.00 176.54 177.72 3naq s GLY 304 N -4.49 -0.05 -0.04 4.60 0.00 -1.20 -4.83 107.32 101.31 3naq s GLY 304 Ca 0.01 2.53 -0.00 0.00 0.00 0.00 0.00 44.72 47.26 3naq s GLY 304 CO 0.75 1.12 0.00 -0.47 0.00 0.00 0.00 173.10 174.51 3naq s TYR 305 N -0.99 0.37 -0.01 1.90 6.14 -1.24 -1.01 117.35 122.52 3naq s TYR 305 Ca 0.04 -0.01 -0.00 0.00 0.64 0.00 0.00 57.07 57.74 3naq s TYR 305 Cb -0.01 -0.49 0.01 0.00 0.42 0.00 0.00 41.96 41.89 3naq s TYR 305 CO -0.04 -0.17 0.01 0.45 0.64 0.00 0.00 175.55 176.44 3naq s SER 306 N 1.25 0.02 0.01 4.32 0.15 -0.08 -1.37 113.70 118.02 3naq s SER 306 Ca -0.06 0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.33 3naq s SER 306 Cb -0.13 -0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.26 3naq s SER 306 CO -0.02 -0.05 1.25 -0.83 1.20 0.00 0.00 173.24 174.78 3naq s GLY 307 N 0.41 -0.18 -0.02 9.45 0.00 -1.26 -0.50 107.32 115.23 3naq s GLY 307 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.88 3naq s GLY 307 CO -0.01 3.52 0.96 2.09 0.00 0.00 0.00 173.10 179.66 3naq n ASP 308 N -0.92 1.77 -4.44 1.64 5.75 -1.19 -1.88 116.55 117.28 3naq n ASP 308 Ca -0.01 -2.03 -0.31 0.00 -0.01 0.00 0.00 54.79 52.43 3naq n ASP 308 Cb 0.60 -0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.50 3naq n ASP 308 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3naq s VAL 309 N -1.12 2.70 0.06 2.12 -7.23 -1.25 -2.83 120.40 112.86 3naq s VAL 309 Ca 0.04 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 3naq s VAL 309 Cb 0.04 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3naq s VAL 309 CO 0.00 0.33 0.07 0.26 -0.31 0.00 0.00 175.10 175.46 3naq s TRP 310 N -0.92 0.33 -0.12 2.82 0.52 -1.26 -4.28 118.94 116.03 3naq s TRP 310 Ca 0.14 -0.80 -0.02 0.00 0.02 0.00 0.00 56.10 55.44 3naq s TRP 310 Cb -0.10 -0.22 0.04 0.00 -1.15 0.00 0.00 33.47 32.03 3naq s TRP 310 CO 0.05 -0.44 0.03 0.34 0.02 0.00 0.00 176.95 176.94 3naq s ASP 311 N -2.79 2.11 0.87 2.95 2.15 -1.26 -3.87 116.67 116.83 3naq s ASP 311 Ca 0.05 -0.39 -0.12 0.00 0.43 0.00 0.00 52.55 52.52 3naq s ASP 311 Cb 0.06 -0.46 0.11 0.00 -0.30 0.00 0.00 42.92 42.33 3naq s ASP 311 CO -0.10 -0.25 1.10 -2.16 -0.17 0.00 0.00 175.17 173.59 3naq s PRO 312 N 1.96 1.49 -0.04 4.34 0.04 -1.26 -5.01 135.00 136.52 3naq s PRO 312 Ca 0.03 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.64 3naq s PRO 312 Cb -0.14 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3naq s PRO 312 CO -0.06 -2.02 0.03 -1.14 0.04 0.00 0.00 177.00 173.84 3naq s GLN 313 N -5.11 0.17 0.46 4.56 0.74 -1.25 -2.97 119.66 116.25 3naq s GLN 313 Ca 0.63 0.21 -0.22 0.00 0.05 0.00 0.00 55.36 56.02 3naq s GLN 313 Cb -0.16 -0.55 -0.10 0.00 1.10 0.00 0.00 33.01 33.30 3naq s GLN 313 CO 0.55 -0.24 0.77 -2.30 -0.55 0.00 0.00 175.29 173.52 3naq n PRO 314 N 4.75 0.89 -2.36 1.67 -0.02 -1.26 -5.10 135.00 133.58 3naq n PRO 314 Ca -0.15 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3naq n PRO 314 Cb 0.50 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3naq n PRO 314 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3naq s ALA 315 N -1.43 3.59 0.78 3.55 0.00 -1.16 -5.01 121.76 122.09 3naq s ALA 315 Ca 0.65 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 3naq s ALA 315 Cb -0.55 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 18.99 3naq s ALA 315 CO 0.56 -1.02 0.73 -2.30 0.00 0.00 0.00 175.76 173.73 3naq n PRO 316 N 6.01 0.21 -0.26 0.00 -0.02 -1.26 -4.84 135.00 134.84 3naq n PRO 316 Ca 0.13 0.12 0.30 0.00 -2.02 0.00 0.00 63.50 62.03 3naq n PRO 316 Cb 0.45 -2.04 0.69 0.00 -0.02 0.00 0.00 33.50 32.58 3naq n PRO 316 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3naq h LYS 317 N -0.68 0.08 -0.01 -0.52 3.64 -2.02 -0.64 116.57 116.42 3naq h LYS 317 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3naq h LYS 317 Cb 1.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3naq h LYS 317 CO 0.43 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.26 3naq n ASP 318 N -4.30 0.83 -4.69 4.20 5.75 -1.26 -4.96 116.55 112.11 3naq n ASP 318 Ca 0.22 -1.29 -0.42 0.00 -0.01 0.00 0.00 54.79 53.29 3naq n ASP 318 Cb 1.05 -0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 41.11 3naq n ASP 318 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3naq s HIS 319 N -1.99 2.26 0.44 2.11 2.46 -0.25 -4.83 115.29 115.48 3naq s HIS 319 Ca 0.42 0.08 0.28 0.00 0.47 0.00 0.00 55.06 56.31 3naq s HIS 319 Cb 0.21 -4.13 1.51 0.00 -0.13 0.00 0.00 32.58 30.05 3naq s HIS 319 CO 0.34 -4.60 2.10 -1.00 -2.47 0.00 0.00 174.74 169.12 3naq h PRO 320 N 8.41 0.00 0.00 2.88 0.13 -1.93 -1.23 132.00 140.26 3naq h PRO 320 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3naq h PRO 320 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3naq h PRO 320 CO 0.94 0.10 -0.07 -1.49 -0.23 0.00 0.00 178.00 177.25 3naq h TRP 321 N 0.00 0.00 -0.24 1.56 4.06 -1.93 -2.11 115.95 117.29 3naq h TRP 321 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 3naq h TRP 321 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3naq h TRP 321 CO 0.00 0.07 0.00 0.00 -3.56 0.00 0.00 178.44 174.95 3naq h ARG 322 N 0.00 0.36 -0.00 0.49 3.08 -1.58 -3.33 114.38 113.39 3naq h ARG 322 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3naq h ARG 322 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3naq h ARG 322 CO 0.01 0.39 -0.00 0.66 -1.07 0.00 0.00 179.97 179.95 3naq n TYR 323 N -4.34 0.00 -2.34 3.04 4.02 -0.87 -5.00 117.16 111.68 3naq n TYR 323 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 3naq n TYR 323 Cb 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 3naq n TYR 323 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3naq s MET 324 N -0.19 3.59 0.62 -0.72 0.23 -0.85 -4.98 119.30 117.00 3naq s MET 324 Ca 0.02 1.31 -0.19 0.00 -1.03 0.00 0.00 55.69 55.80 3naq s MET 324 Cb 0.01 -2.07 -0.02 0.00 -1.53 0.00 0.00 34.83 31.22 3naq s MET 324 CO 0.02 -0.60 1.28 -2.30 -2.03 0.00 0.00 175.02 171.39 3naq n PRO 325 N -1.40 1.24 -1.37 3.16 -0.01 -1.26 -3.11 135.00 132.25 3naq n PRO 325 Ca 0.09 0.48 -0.13 0.00 -0.01 0.00 0.00 63.50 63.93 3naq n PRO 325 Cb 0.53 -2.51 -0.05 0.00 -0.01 0.00 0.00 33.50 31.45 3naq n PRO 325 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 3naq n ASN 326 N -1.58 -5.65 -4.76 2.55 3.02 -1.26 -4.84 115.26 102.74 3naq n ASN 326 Ca 0.14 0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 54.61 3naq n ASN 326 Cb 0.47 -4.25 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 3naq n ASN 326 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3naq s GLN 327 N -3.05 4.43 -0.41 3.52 1.03 -1.18 -3.63 119.66 120.37 3naq s GLN 327 Ca 0.00 1.85 0.10 0.00 0.04 0.00 0.00 55.36 57.35 3naq s GLN 327 Cb 0.00 -3.00 0.42 0.00 0.03 0.00 0.00 33.01 30.46 3naq s GLN 327 CO 0.00 0.00 1.02 0.00 -2.54 0.00 0.00 175.29 173.77 3naq n ALA 328 N 0.77 4.27 -1.84 2.60 0.00 -0.47 -4.97 120.51 120.87 3naq n ALA 328 Ca 0.01 -3.88 -0.31 0.00 0.00 0.00 0.00 53.44 49.26 3naq n ALA 328 Cb 0.45 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.20 3naq n ALA 328 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3naq s MET 329 N -3.32 3.32 0.15 0.00 -1.94 -1.26 -4.01 119.30 112.24 3naq s MET 329 Ca 0.40 0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 55.07 3naq s MET 329 Cb 0.41 -2.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 3naq s MET 329 CO -0.10 -0.75 0.05 0.95 -0.01 0.00 0.00 175.02 175.16 3naq s THR 330 N -3.22 0.26 1.16 2.05 -4.23 -0.79 -4.93 115.64 105.94 3naq s THR 330 Ca 0.56 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 59.01 3naq s THR 330 Cb -0.11 -2.11 0.28 0.00 1.34 0.00 0.00 72.50 71.90 3naq s THR 330 CO 0.54 -0.43 1.03 -2.84 -0.54 0.00 0.00 174.62 172.38 3naq s PRO 331 N -4.02 -0.86 -1.23 3.99 0.02 -1.26 -4.27 135.00 127.36 3naq s PRO 331 Ca 0.25 0.79 -0.20 0.00 0.02 0.00 0.00 61.00 61.87 3naq s PRO 331 Cb 0.07 -1.56 0.04 0.00 0.02 0.00 0.00 34.50 33.07 3naq s PRO 331 CO 0.03 -3.67 1.74 -1.58 -0.33 0.00 0.00 177.00 173.19 3naq s HIS 332 N -2.51 2.58 0.00 6.54 2.46 -1.13 -4.62 115.29 118.62 3naq s HIS 332 Ca 0.68 -1.12 0.00 0.00 0.47 0.00 0.00 55.06 55.10 3naq s HIS 332 Cb -0.24 -4.61 0.00 0.00 -0.13 0.00 0.00 32.58 27.60 3naq s HIS 332 CO 0.64 -1.72 0.24 0.25 -2.47 0.00 0.00 174.74 171.68 3naq n THR 333 N 6.74 0.00 0.26 0.89 -2.24 -1.26 -4.81 114.28 113.86 3naq n THR 333 Ca 0.46 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3naq n THR 333 Cb 0.47 1.03 0.69 0.00 -2.10 0.00 0.00 70.33 70.42 3naq n THR 333 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3naq h SER 334 N 0.00 0.00 -0.62 3.42 4.64 -1.93 -0.79 113.55 118.27 3naq h SER 334 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3naq h SER 334 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3naq h SER 334 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3naq n GLY 335 N -1.26 2.88 1.27 -0.77 0.00 -1.26 -4.12 105.19 101.93 3naq n GLY 335 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.14 3naq n GLY 335 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3naq n THR 336 N 0.92 1.01 -0.78 2.61 5.66 -0.31 -4.67 114.28 118.72 3naq n THR 336 Ca 0.26 -2.10 -0.32 0.00 -3.05 0.00 0.00 64.05 58.85 3naq n THR 336 Cb 1.00 0.46 0.16 0.00 -1.55 0.00 0.00 70.33 70.40 3naq n THR 336 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3naq n THR 337 N -0.22 0.48 -0.18 1.09 -2.24 -1.23 -4.75 114.28 107.23 3naq n THR 337 Ca 0.13 -0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.88 3naq n THR 337 Cb 0.95 -1.03 0.30 0.00 -2.10 0.00 0.00 70.33 68.45 3naq n THR 337 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3naq h ILE 338 N -1.66 1.13 -0.35 2.28 1.08 -1.96 0.17 117.51 118.20 3naq h ILE 338 Ca -0.44 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 63.61 3naq h ILE 338 Cb 1.28 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3naq h ILE 338 CO 0.42 0.16 -0.29 0.44 -0.69 0.00 0.00 178.15 178.19 3naq h ASP 339 N 0.88 0.75 -0.25 1.72 5.19 -1.93 -0.31 116.42 122.47 3naq h ASP 339 Ca 0.27 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 3naq h ASP 339 Cb 0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 3naq h ASP 339 CO -0.07 0.99 0.01 0.00 -3.12 0.00 0.00 179.24 177.04 3naq h ALA 340 N 1.06 0.34 -0.88 3.45 0.00 -1.63 -2.51 119.26 119.09 3naq h ALA 340 Ca 0.08 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3naq h ALA 340 Cb 0.80 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3naq h ALA 340 CO 0.07 0.07 0.57 1.96 0.00 0.00 0.00 179.25 181.92 3naq h GLN 341 N 0.23 0.91 -0.59 0.00 4.20 -0.58 0.50 115.11 119.79 3naq h GLN 341 Ca 0.07 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3naq h GLN 341 Cb 0.40 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3naq h GLN 341 CO 0.01 0.60 0.08 -0.07 -0.67 0.00 0.00 178.83 178.79 3naq h LEU 342 N 0.94 0.90 -0.52 1.46 3.38 -0.88 0.39 115.31 120.98 3naq h LEU 342 Ca 0.39 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3naq h LEU 342 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3naq h LEU 342 CO -0.16 0.92 -0.38 0.03 0.09 0.00 0.00 178.44 178.94 3naq h ARG 343 N 0.90 0.78 -0.17 1.13 3.08 -0.76 -0.74 114.38 118.60 3naq h ARG 343 Ca 0.18 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3naq h ARG 343 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3naq h ARG 343 CO 0.01 1.02 0.07 1.88 -1.07 0.00 0.00 179.97 181.88 3naq h TYR 344 N 0.64 0.26 -0.56 3.04 0.05 -0.54 0.27 116.97 120.13 3naq h TYR 344 Ca 0.06 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3naq h TYR 344 Cb 0.94 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 3naq h TYR 344 CO 0.05 0.33 0.36 0.00 -1.05 0.00 0.00 178.16 177.85 3naq h ALA 345 N 0.90 0.72 -0.53 3.88 0.00 -0.88 -0.64 119.26 122.71 3naq h ALA 345 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3naq h ALA 345 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3naq h ALA 345 CO -0.00 0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.44 3naq h ALA 346 N 1.22 0.71 -0.72 0.00 0.00 -0.88 -0.44 119.26 119.15 3naq h ALA 346 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3naq h ALA 346 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3naq h ALA 346 CO -0.07 0.46 0.28 0.78 0.00 0.00 0.00 179.25 180.71 3naq h GLY 347 N 0.78 1.15 0.97 0.00 0.00 -0.79 -0.58 103.07 104.60 3naq h GLY 347 Ca 0.16 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3naq h GLY 347 CO 0.01 0.59 0.14 -0.84 0.00 0.00 0.00 176.54 176.44 3naq h THR 348 N 1.03 1.23 -0.46 4.70 2.02 -0.84 -0.93 112.91 119.66 3naq h THR 348 Ca 0.24 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 3naq h THR 348 Cb 0.21 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3naq h THR 348 CO -0.02 0.29 0.07 0.50 0.37 0.00 0.00 175.52 176.73 3naq h LYS 349 N 0.68 0.77 -0.32 6.66 3.64 -0.86 0.42 116.57 127.56 3naq h LYS 349 Ca 0.16 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3naq h LYS 349 Cb 0.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3naq h LYS 349 CO -0.00 0.79 0.21 0.22 -2.27 0.00 0.00 179.45 178.40 3naq h ASP 350 N 0.63 0.37 -0.61 4.20 -0.00 -0.89 -0.47 116.42 119.66 3naq h ASP 350 Ca 0.14 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.03 57.07 3naq h ASP 350 Cb 0.39 -0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.61 3naq h ASP 350 CO 0.01 0.27 0.01 0.24 -0.00 0.00 0.00 179.24 179.77 3naq h MET 351 N 0.44 1.08 -0.47 0.28 2.86 -0.85 -1.04 114.93 117.23 3naq h MET 351 Ca 0.12 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3naq h MET 351 Cb -0.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3naq h MET 351 CO -0.03 1.04 0.22 -0.07 1.06 0.00 0.00 176.91 179.14 3naq h LEU 352 N 0.98 0.31 -0.55 1.22 3.38 -0.52 0.18 115.31 120.32 3naq h LEU 352 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3naq h LEU 352 Cb 0.55 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3naq h LEU 352 CO 0.03 0.22 0.31 -0.08 0.09 0.00 0.00 178.44 179.01 3naq h GLU 353 N 0.45 0.76 -0.74 1.13 4.81 -0.80 0.55 114.58 120.74 3naq h GLU 353 Ca 0.21 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3naq h GLU 353 Cb 0.13 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3naq h GLU 353 CO -0.16 0.57 0.48 0.00 -0.73 0.00 0.00 179.01 179.17 3naq h ARG 354 N 0.73 0.99 -0.42 1.92 3.08 -0.93 -1.46 114.38 118.30 3naq h ARG 354 Ca 0.19 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3naq h ARG 354 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3naq h ARG 354 CO -0.03 0.67 0.27 -0.92 -1.07 0.00 0.00 179.97 178.89 3naq h TYR 355 N 1.01 0.51 -0.14 3.04 3.20 -0.01 0.16 116.97 124.75 3naq h TYR 355 Ca 0.27 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 3naq h TYR 355 Cb -0.09 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3naq h TYR 355 CO -0.02 0.32 -0.17 0.74 -1.64 0.00 0.00 178.16 177.39 3naq h PHE 356 N 0.55 0.24 -0.02 -3.82 0.05 -0.51 -2.62 116.94 110.81 3naq h PHE 356 Ca 0.15 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.91 3naq h PHE 356 Cb -0.05 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 37.83 3naq h PHE 356 CO -0.05 0.39 -0.07 1.63 -0.18 0.00 0.00 178.31 180.04 3naq n LYS 357 N -4.24 1.67 -2.64 1.51 5.02 -0.58 -4.94 118.16 113.95 3naq n LYS 357 Ca -0.01 -1.12 -0.14 0.00 -2.02 0.00 0.00 58.31 55.02 3naq n LYS 357 Cb 0.30 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3naq n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3naq n GLY 358 N 1.25 -0.09 3.76 0.72 0.00 0.14 -5.03 105.19 105.94 3naq n GLY 358 Ca 0.16 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3naq n GLY 358 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3naq s GLU 359 N -5.14 3.10 0.59 1.61 2.02 0.32 -5.03 118.70 116.17 3naq s GLU 359 Ca 0.15 -0.40 -0.19 0.00 0.02 0.00 0.00 54.97 54.55 3naq s GLU 359 Cb -0.07 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3naq s GLU 359 CO 0.19 0.69 1.24 -0.51 0.02 0.00 0.00 175.26 176.89 3naq s ASP 360 N -1.32 5.17 0.68 -0.19 1.01 -1.26 -4.29 116.67 116.47 3naq s ASP 360 Ca 0.18 2.48 -0.11 0.00 0.71 0.00 0.00 52.55 55.82 3naq s ASP 360 Cb -0.12 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3naq s ASP 360 CO 0.08 -1.61 1.08 -0.36 0.21 0.00 0.00 175.17 174.56 3naq s PHE 361 N -1.51 3.38 0.18 4.23 0.08 -1.26 -4.99 117.98 118.10 3naq s PHE 361 Ca 0.76 1.08 -0.32 0.00 0.12 0.00 0.00 56.93 58.57 3naq s PHE 361 Cb -0.33 -2.99 -0.15 0.00 -0.57 0.00 0.00 43.02 38.98 3naq s PHE 361 CO 0.37 -1.07 1.19 -2.30 -0.10 0.00 0.00 175.22 173.31 3naq n PRO 362 N -2.94 1.27 -0.36 0.24 -0.02 -1.26 -4.84 135.00 127.10 3naq n PRO 362 Ca 0.07 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 3naq n PRO 362 Cb 0.57 -1.97 0.23 0.00 -0.02 0.00 0.00 33.50 32.31 3naq n PRO 362 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3naq h THR 363 N 2.69 0.94 0.00 3.45 2.02 -1.98 -0.80 112.91 119.23 3naq h THR 363 Ca -0.43 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3naq h THR 363 Cb 1.33 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3naq h THR 363 CO 0.70 0.18 0.00 -1.84 0.37 0.00 0.00 175.52 174.94 3naq n GLU 364 N -4.61 0.14 0.13 6.66 0.00 -1.26 -2.25 120.64 119.45 3naq n GLU 364 Ca 0.18 0.40 0.08 0.00 0.00 0.00 0.00 57.16 57.83 3naq n GLU 364 Cb 0.34 -1.79 0.04 0.00 0.00 0.00 0.00 31.44 30.03 3naq n GLU 364 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3naq h ASN 365 N 0.00 0.00 -3.39 -1.84 4.21 -1.37 -3.44 115.58 109.76 3naq h ASN 365 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 3naq h ASN 365 Cb 0.30 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 3naq h ASN 365 CO 0.00 0.20 0.46 -0.31 -1.29 0.00 0.00 177.43 176.49 3naq s TYR 366 N -3.16 3.59 -0.25 1.19 1.51 -0.95 -1.07 117.35 118.20 3naq s TYR 366 Ca 0.02 1.56 -0.08 0.00 -1.01 0.00 0.00 57.07 57.56 3naq s TYR 366 Cb 0.08 -3.25 -0.13 0.00 -0.11 0.00 0.00 41.96 38.55 3naq s TYR 366 CO 0.75 -0.54 -0.29 -0.89 -1.11 0.00 0.00 175.55 173.47 3naq n ILE 367 N 3.40 1.40 -4.62 2.71 5.41 0.52 -4.81 119.36 123.37 3naq n ILE 367 Ca 0.06 -0.42 -0.24 0.00 1.00 0.00 0.00 62.75 63.15 3naq n ILE 367 Cb 0.48 -1.67 -0.16 0.00 -0.71 0.00 0.00 39.64 37.58 3naq n ILE 367 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3naq s VAL 368 N -2.47 1.15 -0.24 1.39 1.01 -0.60 -0.96 120.40 119.67 3naq s VAL 368 Ca -0.35 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3naq s VAL 368 Cb 0.12 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.53 3naq s VAL 368 CO 0.49 0.35 -0.13 -0.75 0.00 0.00 0.00 175.10 175.06 3naq s LYS 369 N 0.31 2.38 -1.44 2.72 2.20 0.14 -0.69 119.74 125.35 3naq s LYS 369 Ca -0.08 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 54.24 3naq s LYS 369 Cb -0.12 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 3naq s LYS 369 CO 0.02 -0.49 0.24 -0.25 -0.36 0.00 0.00 175.35 174.52 3naq n ASP 370 N 4.48 -0.54 0.00 1.43 8.00 -1.15 -0.77 116.55 128.01 3naq n ASP 370 Ca -0.15 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3naq n ASP 370 Cb 0.44 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 3naq n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3naq n GLY 371 N -2.35 1.37 3.52 0.44 0.00 0.18 -4.80 105.19 103.55 3naq n GLY 371 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3naq n GLY 371 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3naq s GLU 372 N -0.19 3.43 0.08 1.61 0.41 0.05 -4.56 118.70 119.53 3naq s GLU 372 Ca 0.00 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 53.57 3naq s GLU 372 Cb 0.00 -3.82 -0.06 0.00 -1.78 0.00 0.00 34.13 28.48 3naq s GLU 372 CO 0.00 -0.48 1.17 -1.17 -0.49 0.00 0.00 175.26 174.29 3naq s LEU 373 N 1.71 4.39 0.40 1.80 0.20 -1.26 -0.69 118.68 125.24 3naq s LEU 373 Ca 0.06 2.01 -0.26 0.00 0.69 0.00 0.00 54.13 56.63 3naq s LEU 373 Cb -0.18 -3.58 -0.10 0.00 -0.43 0.00 0.00 46.19 41.90 3naq s LEU 373 CO 0.10 -0.41 1.27 0.00 -0.29 0.00 0.00 176.35 177.03 3naq n ALA 374 N 3.59 1.30 0.19 5.97 0.00 -0.13 -4.82 120.51 126.60 3naq n ALA 374 Ca 0.07 0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.87 3naq n ALA 374 Cb 0.47 -2.26 0.58 0.00 0.00 0.00 0.00 19.45 18.23 3naq n ALA 374 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3naq h PRO 375 N 2.20 0.14 -0.19 0.00 0.13 -1.94 0.80 132.00 133.14 3naq h PRO 375 Ca -0.47 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3naq h PRO 375 Cb 1.29 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3naq h PRO 375 CO 0.61 0.09 0.26 1.96 -0.23 0.00 0.00 178.00 180.69 3naq h GLN 376 N 0.14 0.00 -0.02 0.86 7.50 -1.97 -2.72 115.11 118.91 3naq h GLN 376 Ca 0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.19 3naq h GLN 376 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.52 3naq h GLN 376 CO -0.01 0.00 -0.31 0.66 -1.50 0.00 0.00 178.83 177.67 3naq n TYR 377 N -3.58 0.00 1.30 2.96 4.02 0.27 -5.27 117.16 116.86 3naq n TYR 377 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.01 3naq n TYR 377 Cb 0.38 0.00 0.62 0.00 -0.02 0.00 0.00 39.34 40.31 3naq n TYR 377 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39