#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avx s VAL 17 N 0.00 2.02 0.00 1.39 1.01 0.12 -3.75 120.40 121.19 1avx s VAL 17 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1avx s VAL 17 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1avx s VAL 17 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1avx n GLY 18 N 3.53 2.01 0.00 4.51 0.00 -1.25 -1.51 105.19 112.47 1avx n GLY 18 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1avx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avx n GLY 19 N -2.00 -1.35 3.51 -0.02 0.00 -1.26 -4.87 105.19 99.20 1avx n GLY 19 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1avx n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1avx s TYR 20 N 0.00 -0.64 0.02 1.61 1.13 0.43 -4.94 117.35 114.95 1avx s TYR 20 Ca 0.00 1.13 -0.31 0.00 -1.41 0.00 0.00 57.07 56.49 1avx s TYR 20 Cb 0.00 0.39 -0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1avx s TYR 20 CO 0.00 -0.58 1.96 2.41 -2.51 0.00 0.00 175.55 176.83 1avx n THR 21 N 1.04 0.74 -1.63 -3.49 -1.04 -1.26 0.84 114.28 109.47 1avx n THR 21 Ca -0.19 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.34 1avx n THR 21 Cb 0.57 -2.25 0.07 0.00 -1.82 0.00 0.00 70.33 66.90 1avx n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1avx s ALA 23 N -1.92 1.94 0.18 0.00 0.00 -1.26 -4.84 121.76 115.87 1avx s ALA 23 Ca 0.74 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.89 1avx s ALA 23 Cb -0.29 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1avx s ALA 23 CO 0.42 -2.14 1.73 0.00 0.00 0.00 0.00 175.76 175.77 1avx s ALA 24 N -3.30 3.89 -1.06 0.00 0.00 -1.26 -2.15 121.76 117.88 1avx s ALA 24 Ca 0.63 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 54.08 1avx s ALA 24 Cb -0.14 -3.71 0.04 0.00 0.00 0.00 0.00 23.12 19.31 1avx s ALA 24 CO 0.53 -0.98 0.25 0.09 0.00 0.00 0.00 175.76 175.65 1avx n ASN 25 N 4.37 -3.49 -0.16 0.00 3.02 -1.26 -4.81 115.26 112.92 1avx n ASN 25 Ca 0.16 -0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 1avx n ASN 25 Cb 0.36 -2.94 0.02 0.00 -0.61 0.00 0.00 39.78 36.61 1avx n ASN 25 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1avx h SER 26 N -0.49 1.00 -4.20 6.41 0.02 -1.80 -3.35 113.55 111.14 1avx h SER 26 Ca -0.33 -0.36 -0.65 0.00 -0.84 0.00 0.00 61.79 59.61 1avx h SER 26 Cb 1.23 -0.27 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 1avx h SER 26 CO 0.41 1.14 -0.60 0.27 -1.14 0.00 0.00 176.83 176.91 1avx s ILE 27 N -4.74 2.76 0.38 3.27 -0.00 -1.26 -4.97 121.20 116.63 1avx s ILE 27 Ca -0.11 -3.07 0.11 0.00 -0.00 0.00 0.00 60.65 57.59 1avx s ILE 27 Cb 0.13 -2.91 0.12 0.00 -0.00 0.00 0.00 42.46 39.81 1avx s ILE 27 CO 0.86 -0.78 1.87 -0.65 -0.00 0.00 0.00 174.94 176.25 1avx h PRO 28 N 6.82 0.11 -0.01 0.37 0.11 -1.87 -3.26 132.00 134.27 1avx h PRO 28 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1avx h PRO 28 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1avx h PRO 28 CO 0.67 0.36 -0.04 2.48 -0.21 0.00 0.00 178.00 181.26 1avx n TYR 29 N -4.19 0.00 -2.87 0.65 0.18 -1.23 -2.14 117.16 107.55 1avx n TYR 29 Ca -0.02 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.36 1avx n TYR 29 Cb 0.34 -0.07 -0.05 0.00 -0.38 0.00 0.00 39.34 39.18 1avx n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1avx s GLN 30 N -2.18 4.63 0.02 -3.48 2.00 -1.23 -0.95 119.66 118.46 1avx s GLN 30 Ca 0.38 1.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.01 1avx s GLN 30 Cb 0.21 -3.33 -0.00 0.00 0.80 0.00 0.00 33.01 30.69 1avx s GLN 30 CO 0.40 0.37 0.00 1.33 -0.50 0.00 0.00 175.29 176.89 1avx n VAL 31 N 2.31 0.00 -3.69 1.34 0.24 -0.82 -4.60 118.33 113.10 1avx n VAL 31 Ca -0.02 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1avx n VAL 31 Cb 0.49 0.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.74 1avx n VAL 31 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1avx s SER 32 N -1.09 0.32 -0.37 -1.34 0.15 -1.08 -3.06 113.70 107.23 1avx s SER 32 Ca 0.01 0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.81 1avx s SER 32 Cb 0.00 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1avx s SER 32 CO 0.00 -0.21 0.93 -0.76 1.20 0.00 0.00 173.24 174.41 1avx s LEU 33 N 1.93 3.99 -0.04 3.45 1.43 -0.41 -1.41 118.68 127.61 1avx s LEU 33 Ca -0.02 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 1avx s LEU 33 Cb -0.12 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 1avx s LEU 33 CO -0.07 -0.86 -0.19 0.21 0.23 0.00 0.00 176.35 175.67 1avx s ASN 34 N 1.87 3.58 -0.49 2.29 3.84 -0.53 -2.58 114.94 122.93 1avx s ASN 34 Ca 0.39 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 53.19 1avx s ASN 34 Cb -0.12 -0.70 0.22 0.00 -0.55 0.00 0.00 41.25 40.10 1avx s ASN 34 CO 0.18 0.32 0.79 -0.24 -2.79 0.00 0.00 177.10 175.36 1avx n SER 37 N 2.48 -2.67 0.00 -4.21 2.88 -1.26 -0.98 113.62 109.85 1avx n SER 37 Ca -0.17 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 1avx n SER 37 Cb 0.52 1.48 0.00 0.00 -0.75 0.00 0.00 64.21 65.46 1avx n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1avx n GLY 38 N 2.04 3.11 3.59 0.46 0.00 -1.26 -4.93 105.19 108.19 1avx n GLY 38 Ca 0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 1avx n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1avx s SER 39 N 0.00 -0.17 0.06 1.61 1.04 -1.26 -5.12 113.70 109.86 1avx s SER 39 Ca 0.00 -0.04 -0.36 0.00 0.48 0.00 0.00 55.95 56.02 1avx s SER 39 Cb 0.00 0.21 -0.16 0.00 0.10 0.00 0.00 66.02 66.17 1avx s SER 39 CO 0.00 -0.34 1.43 1.57 0.98 0.00 0.00 173.24 176.88 1avx n HIS 40 N -0.20 1.71 0.00 5.02 -0.00 -1.26 -4.57 115.22 115.92 1avx n HIS 40 Ca -0.03 0.55 0.00 0.00 0.46 0.00 0.00 57.72 58.70 1avx n HIS 40 Cb 0.60 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 1avx n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1avx n PHE 41 N 3.04 0.00 -3.81 1.57 1.16 -1.06 -4.97 117.46 113.39 1avx n PHE 41 Ca 0.19 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.70 1avx n PHE 41 Cb 0.20 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.10 1avx n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1avx n GLY 43 N -0.58 4.02 0.00 0.00 0.00 -0.02 -1.29 105.19 107.32 1avx n GLY 43 Ca -0.07 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1avx n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avx n GLY 44 N 1.59 1.36 3.29 -0.02 0.00 -1.17 -3.89 105.19 106.35 1avx n GLY 44 Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1avx n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1avx s SER 45 N 0.10 -0.52 -0.07 1.61 0.15 -1.06 -1.94 113.70 111.96 1avx s SER 45 Ca 0.00 0.91 -0.29 0.00 0.70 0.00 0.00 55.95 57.27 1avx s SER 45 Cb 0.00 0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 65.10 1avx s SER 45 CO 0.00 -0.19 0.97 -0.22 1.20 0.00 0.00 173.24 175.00 1avx s LEU 46 N 1.21 4.29 -0.17 3.45 2.96 -0.13 -2.34 118.68 127.95 1avx s LEU 46 Ca -0.08 1.54 0.12 0.00 -0.22 0.00 0.00 54.13 55.49 1avx s LEU 46 Cb -0.07 -3.52 -0.19 0.00 0.50 0.00 0.00 46.19 42.91 1avx s LEU 46 CO -0.11 -0.36 0.01 2.30 -1.32 0.00 0.00 176.35 176.87 1avx n ILE 47 N 4.30 1.14 -3.76 6.68 -5.35 -1.12 -1.80 119.36 119.44 1avx n ILE 47 Ca 0.07 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.80 1avx n ILE 47 Cb 0.50 -0.68 -0.06 0.00 -1.74 0.00 0.00 39.64 37.65 1avx n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1avx s ASN 48 N -5.20 -0.04 0.55 7.28 2.20 -1.25 -4.65 114.94 113.83 1avx s ASN 48 Ca -0.12 -0.46 0.49 0.00 -0.94 0.00 0.00 52.86 51.84 1avx s ASN 48 Cb 0.05 0.39 1.72 0.00 -2.00 0.00 0.00 41.25 41.41 1avx s ASN 48 CO 0.64 -0.75 1.59 0.77 -2.94 0.00 0.00 177.10 176.41 1avx h SER 49 N 2.72 0.01 0.00 3.54 4.64 -1.96 -2.77 113.55 119.73 1avx h SER 49 Ca -0.34 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1avx h SER 49 Cb 1.22 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1avx h SER 49 CO 0.51 -0.02 -1.62 0.00 -0.87 0.00 0.00 176.83 174.83 1avx n GLN 50 N -3.99 0.59 -4.14 4.77 6.02 -1.26 0.34 117.38 119.70 1avx n GLN 50 Ca 0.43 -0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 57.03 1avx n GLN 50 Cb 1.96 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 31.83 1avx n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1avx s TRP 51 N -2.83 2.96 -0.17 1.08 0.52 -1.05 0.21 118.94 119.67 1avx s TRP 51 Ca -0.05 -0.05 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 1avx s TRP 51 Cb 0.08 -1.50 0.05 0.00 -1.15 0.00 0.00 33.47 30.94 1avx s TRP 51 CO 0.54 0.49 0.01 0.08 0.02 0.00 0.00 176.95 178.08 1avx s VAL 52 N -1.40 0.67 0.27 4.03 1.01 0.27 -2.81 120.40 122.44 1avx s VAL 52 Ca 0.26 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1avx s VAL 52 Cb -0.11 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1avx s VAL 52 CO 0.18 -0.04 0.84 0.54 0.00 0.00 0.00 175.10 176.62 1avx s VAL 53 N 1.81 4.37 0.17 2.92 0.11 -0.99 0.11 120.40 128.90 1avx s VAL 53 Ca 0.00 1.59 -0.23 0.00 -2.93 0.00 0.00 61.98 60.42 1avx s VAL 53 Cb -0.16 -3.96 0.08 0.00 -1.53 0.00 0.00 36.38 30.81 1avx s VAL 53 CO -0.07 0.19 1.05 -0.55 -3.33 0.00 0.00 175.10 172.39 1avx s SER 54 N -1.60 0.00 0.16 3.54 0.15 0.64 -2.58 113.70 114.01 1avx s SER 54 Ca 0.46 -0.64 -0.31 0.00 0.70 0.00 0.00 55.95 56.16 1avx s SER 54 Cb -0.18 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.52 1avx s SER 54 CO 0.23 -0.95 1.46 0.00 1.20 0.00 0.00 173.24 175.17 1avx s ALA 55 N -2.18 3.66 0.34 5.45 0.00 -1.26 0.86 121.76 128.64 1avx s ALA 55 Ca 0.22 1.25 0.28 0.00 0.00 0.00 0.00 51.96 53.71 1avx s ALA 55 Cb -0.02 -3.57 1.38 0.00 0.00 0.00 0.00 23.12 20.91 1avx s ALA 55 CO 0.05 -0.69 2.03 0.00 0.00 0.00 0.00 175.76 177.14 1avx h ALA 56 N 6.37 1.19 0.00 0.00 0.00 -1.75 -0.91 119.26 124.16 1avx h ALA 56 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1avx h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1avx h ALA 56 CO 0.86 0.16 0.00 -2.39 0.00 0.00 0.00 179.25 177.88 1avx n HIS 57 N -3.52 0.00 1.44 0.00 1.44 -1.26 -2.44 115.22 110.89 1avx n HIS 57 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 1avx n HIS 57 Cb 0.28 -0.13 0.53 0.00 0.12 0.00 0.00 29.99 30.79 1avx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1avx n TYR 59 N -0.40 0.93 -3.64 0.00 4.19 -1.02 -4.99 117.16 112.23 1avx n TYR 59 Ca 0.16 0.76 -0.15 0.00 3.31 0.00 0.00 57.90 61.98 1avx n TYR 59 Cb 0.32 -2.20 -0.08 0.00 0.49 0.00 0.00 39.34 37.87 1avx n TYR 59 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1avx s LYS 60 N -0.98 0.80 0.29 2.98 2.20 -1.26 -5.07 119.74 118.70 1avx s LYS 60 Ca 0.66 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.82 1avx s LYS 60 Cb -0.82 0.38 0.57 0.00 -1.51 0.00 0.00 37.83 36.46 1avx s LYS 60 CO 0.56 -0.17 1.84 0.66 -0.36 0.00 0.00 175.35 177.88 1avx h SER 61 N 4.39 0.91 -3.55 1.43 4.64 -2.02 -3.40 113.55 115.96 1avx h SER 61 Ca -0.28 0.05 -0.61 0.00 -0.47 0.00 0.00 61.79 60.48 1avx h SER 61 Cb 1.16 -0.14 -0.38 0.00 -0.31 0.00 0.00 62.40 62.74 1avx h SER 61 CO 0.24 0.48 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.76 1avx s ARG 62 N -5.94 1.72 -0.03 4.77 0.52 -1.26 -5.11 118.95 113.62 1avx s ARG 62 Ca -0.12 -0.91 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1avx s ARG 62 Cb 0.22 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1avx s ARG 62 CO 0.81 -0.53 -0.23 0.42 0.02 0.00 0.00 175.30 175.78 1avx s ILE 63 N 1.42 1.84 -0.29 1.52 1.01 -1.26 -4.76 121.20 120.68 1avx s ILE 63 Ca -0.04 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1avx s ILE 63 Cb -0.18 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.81 1avx s ILE 63 CO -0.07 0.52 -0.04 -1.58 0.00 0.00 0.00 174.94 173.77 1avx s GLN 64 N -0.35 2.25 -0.87 2.79 0.74 -0.15 -1.61 119.66 122.45 1avx s GLN 64 Ca 0.03 -1.38 -0.25 0.00 0.05 0.00 0.00 55.36 53.82 1avx s GLN 64 Cb -0.11 -3.06 0.04 0.00 1.10 0.00 0.00 33.01 30.99 1avx s GLN 64 CO 0.01 -0.64 1.35 0.08 -0.55 0.00 0.00 175.29 175.53 1avx s VAL 65 N 1.15 3.86 0.37 1.34 1.01 0.15 -1.45 120.40 126.83 1avx s VAL 65 Ca -0.05 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1avx s VAL 65 Cb -0.20 -4.97 -0.10 0.00 0.00 0.00 0.00 36.38 31.11 1avx s VAL 65 CO -0.04 -1.88 0.96 -0.13 0.00 0.00 0.00 175.10 174.02 1avx s ARG 66 N 5.24 4.40 0.31 2.72 1.81 -0.50 -2.38 118.95 130.56 1avx s ARG 66 Ca 0.40 1.30 0.03 0.00 -1.72 0.00 0.00 55.73 55.74 1avx s ARG 66 Cb -0.04 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 1avx s ARG 66 CO 0.02 0.11 0.16 -0.51 -0.68 0.00 0.00 175.30 174.40 1avx s LEU 67 N -2.50 1.72 -1.06 2.53 1.02 -0.70 -2.64 118.68 117.05 1avx s LEU 67 Ca 0.55 -1.56 0.00 0.00 0.02 0.00 0.00 54.13 53.14 1avx s LEU 67 Cb -0.16 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.20 1avx s LEU 67 CO 0.21 -0.88 0.00 0.61 0.02 0.00 0.00 176.35 176.31 1avx n GLY 69 N -0.61 0.95 3.78 -3.19 0.00 -1.26 -2.22 105.19 102.64 1avx n GLY 69 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1avx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avx s GLU 70 N -2.67 4.15 0.11 1.61 0.41 -1.26 -4.23 118.70 116.82 1avx s GLU 70 Ca 0.00 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 1avx s GLU 70 Cb 0.00 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1avx s GLU 70 CO 0.00 -0.17 0.00 1.58 -0.49 0.00 0.00 175.26 176.18 1avx n HIS 71 N -0.02 -0.75 -3.84 1.61 -0.00 -1.26 -4.87 115.22 106.08 1avx n HIS 71 Ca 0.05 0.13 -0.36 0.00 0.46 0.00 0.00 57.72 58.00 1avx n HIS 71 Cb 0.49 0.30 -0.13 0.00 -0.12 0.00 0.00 29.99 30.53 1avx n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1avx s ASN 72 N -5.23 5.07 0.00 0.26 3.84 -1.26 -1.28 114.94 116.34 1avx s ASN 72 Ca 0.00 -1.49 0.00 0.00 0.21 0.00 0.00 52.86 51.58 1avx s ASN 72 Cb 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 1avx s ASN 72 CO 0.00 -0.36 0.48 2.30 -2.79 0.00 0.00 177.10 176.74 1avx n ILE 73 N 4.64 0.00 0.20 -5.21 -5.35 -0.44 -3.05 119.36 110.16 1avx n ILE 73 Ca -0.09 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.41 1avx n ILE 73 Cb 0.43 -0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 1avx n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1avx n ASP 74 N -0.13 0.36 -4.08 7.28 9.92 -1.26 -5.00 116.55 123.64 1avx n ASP 74 Ca 0.00 -0.58 -0.23 0.00 -0.53 0.00 0.00 54.79 53.44 1avx n ASP 74 Cb 0.09 1.01 -0.16 0.00 -0.64 0.00 0.00 41.12 41.43 1avx n ASP 74 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1avx s VAL 75 N -1.46 1.15 -0.64 2.53 1.01 -1.17 -5.08 120.40 116.73 1avx s VAL 75 Ca 0.02 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 1avx s VAL 75 Cb 0.03 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1avx s VAL 75 CO 0.19 0.34 1.15 -0.76 0.00 0.00 0.00 175.10 176.01 1avx s LEU 76 N 0.05 3.59 0.00 3.92 1.43 -1.26 -4.75 118.68 121.65 1avx s LEU 76 Ca -0.02 -0.32 0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1avx s LEU 76 Cb -0.10 -2.79 0.69 0.00 0.03 0.00 0.00 46.19 44.03 1avx s LEU 76 CO 0.01 -1.56 1.53 -0.62 0.23 0.00 0.00 176.35 175.94 1avx n GLU 77 N 8.51 1.92 -3.24 1.70 1.02 -1.26 -4.96 120.64 124.32 1avx n GLU 77 Ca 0.04 -1.37 -0.16 0.00 -0.02 0.00 0.00 57.16 55.65 1avx n GLU 77 Cb 0.48 -1.44 0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1avx n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avx n GLY 78 N 1.23 -0.22 0.00 0.62 0.00 -1.26 -4.87 105.19 100.68 1avx n GLY 78 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1avx n GLY 78 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1avx n ASN 79 N -2.49 0.00 -4.94 1.61 2.85 -1.26 -5.11 115.26 105.93 1avx n ASN 79 Ca -0.14 -1.00 -0.26 0.00 -0.11 0.00 0.00 54.58 53.08 1avx n ASN 79 Cb 0.60 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.60 1avx n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1avx s GLU 80 N 0.00 3.50 -0.21 1.20 8.01 -1.26 -4.55 118.70 125.40 1avx s GLU 80 Ca 0.00 -0.41 -0.01 0.00 0.01 0.00 0.00 54.97 54.56 1avx s GLU 80 Cb 0.00 -2.81 0.06 0.00 -4.31 0.00 0.00 34.13 27.07 1avx s GLU 80 CO 0.00 0.35 -0.02 -0.65 0.01 0.00 0.00 175.26 174.95 1avx s GLN 81 N -3.65 1.21 -0.33 1.61 -0.21 -0.94 -4.95 119.66 112.39 1avx s GLN 81 Ca 0.38 -0.68 -0.20 0.00 0.02 0.00 0.00 55.36 54.87 1avx s GLN 81 Cb -0.10 -2.29 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 1avx s GLN 81 CO 0.31 -0.58 0.64 -0.06 -2.12 0.00 0.00 175.29 173.47 1avx s PHE 82 N 1.62 3.18 -0.03 0.91 0.40 -1.26 -1.72 117.98 121.06 1avx s PHE 82 Ca -0.03 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1avx s PHE 82 Cb -0.17 -3.09 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1avx s PHE 82 CO -0.07 -0.57 -0.04 0.42 0.70 0.00 0.00 175.22 175.66 1avx s ILE 83 N 2.69 0.49 0.48 0.64 1.01 -1.00 -4.99 121.20 120.52 1avx s ILE 83 Ca 0.25 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 1avx s ILE 83 Cb -0.15 -0.50 -0.08 0.00 0.01 0.00 0.00 42.46 41.74 1avx s ILE 83 CO 0.14 0.20 1.04 0.20 0.00 0.00 0.00 174.94 176.51 1avx s ASN 84 N 0.71 6.35 0.44 3.58 0.01 -1.26 0.29 114.94 125.06 1avx s ASN 84 Ca -0.09 1.93 -0.19 0.00 -0.71 0.00 0.00 52.86 53.80 1avx s ASN 84 Cb -0.12 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 38.88 1avx s ASN 84 CO -0.00 -0.78 0.93 0.00 -1.51 0.00 0.00 177.10 175.74 1avx s ALA 85 N -1.97 3.09 -0.02 0.60 0.00 -0.63 -1.48 121.76 121.35 1avx s ALA 85 Ca 0.67 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 1avx s ALA 85 Cb -0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1avx s ALA 85 CO 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 175.76 175.98 1avx n ALA 86 N -0.91 2.38 -2.51 0.00 0.00 0.11 -4.73 120.51 114.85 1avx n ALA 86 Ca 0.06 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1avx n ALA 86 Cb 0.54 0.46 -0.13 0.00 0.00 0.00 0.00 19.45 20.32 1avx n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1avx s LYS 87 N -2.04 2.55 -0.34 0.00 1.02 -1.20 -4.94 119.74 114.79 1avx s LYS 87 Ca -0.03 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1avx s LYS 87 Cb 0.01 -2.40 0.14 0.00 -0.52 0.00 0.00 37.83 35.06 1avx s LYS 87 CO 0.04 0.61 0.27 0.96 -0.92 0.00 0.00 175.35 176.31 1avx s ILE 88 N -0.69 -0.13 -0.37 2.17 -5.25 -1.26 -0.22 121.20 115.45 1avx s ILE 88 Ca 0.11 -1.15 -0.10 0.00 -0.99 0.00 0.00 60.65 58.51 1avx s ILE 88 Cb -0.11 -0.93 0.03 0.00 2.95 0.00 0.00 42.46 44.40 1avx s ILE 88 CO 0.01 -0.74 0.19 -0.63 -1.79 0.00 0.00 174.94 171.98 1avx s ILE 89 N 1.53 4.49 0.24 8.37 1.01 -0.30 -4.97 121.20 131.56 1avx s ILE 89 Ca 0.15 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1avx s ILE 89 Cb -0.18 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 1avx s ILE 89 CO -0.11 -0.22 0.81 0.42 0.00 0.00 0.00 174.94 175.84 1avx s THR 90 N 1.54 4.40 0.17 2.92 -4.23 -1.26 -0.87 115.64 118.32 1avx s THR 90 Ca 0.02 1.56 -0.33 0.00 -1.18 0.00 0.00 61.69 61.75 1avx s THR 90 Cb -0.19 -3.97 -0.16 0.00 1.34 0.00 0.00 72.50 69.52 1avx s THR 90 CO 0.06 0.26 1.21 1.57 -0.54 0.00 0.00 174.62 177.18 1avx n HIS 91 N 0.87 1.41 -0.28 3.99 -0.00 0.13 -4.89 115.22 116.45 1avx n HIS 91 Ca -0.02 0.65 0.10 0.00 0.46 0.00 0.00 57.72 58.90 1avx n HIS 91 Cb 0.50 -2.30 0.23 0.00 -0.12 0.00 0.00 29.99 28.30 1avx n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1avx h PRO 92 N 3.59 0.14 -0.68 1.57 0.13 -1.94 -1.94 132.00 132.88 1avx h PRO 92 Ca -0.44 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1avx h PRO 92 Cb 1.33 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1avx h PRO 92 CO 0.71 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1avx n ASN 93 N -5.30 4.71 -4.73 1.44 4.13 -1.26 -4.97 115.26 109.28 1avx n ASN 93 Ca 0.18 -2.73 -0.42 0.00 1.68 0.00 0.00 54.58 53.29 1avx n ASN 93 Cb 0.59 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 38.16 1avx n ASN 93 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1avx s PHE 94 N -2.38 3.00 -0.32 3.10 5.36 -0.73 -4.71 117.98 121.31 1avx s PHE 94 Ca 0.43 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1avx s PHE 94 Cb 0.33 -3.90 0.07 0.00 -0.34 0.00 0.00 43.02 39.18 1avx s PHE 94 CO 0.12 -3.09 0.01 1.21 -1.46 0.00 0.00 175.22 172.01 1avx s ASN 95 N 0.70 4.82 0.39 6.13 3.84 -0.46 -4.97 114.94 125.39 1avx s ASN 95 Ca 0.64 -1.60 0.10 0.00 0.21 0.00 0.00 52.86 52.21 1avx s ASN 95 Cb -0.43 -1.67 0.87 0.00 -0.55 0.00 0.00 41.25 39.46 1avx s ASN 95 CO 0.39 -0.31 1.94 1.23 -2.79 0.00 0.00 177.10 177.56 1avx h GLY 96 N 7.88 0.88 0.18 1.21 0.00 -1.94 0.58 103.07 111.85 1avx h GLY 96 Ca -0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1avx h GLY 96 CO 0.54 0.14 -0.09 3.43 0.00 0.00 0.00 176.54 180.57 1avx h ASN 97 N 0.61 -0.20 0.50 0.19 -0.26 -1.97 -3.33 115.58 111.12 1avx h ASN 97 Ca 0.34 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1avx h ASN 97 Cb 0.51 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1avx h ASN 97 CO -0.12 -0.08 0.00 0.35 -1.06 0.00 0.00 177.43 176.52 1avx n THR 98 N -3.02 0.27 -0.79 2.81 -2.24 -1.19 -4.90 114.28 105.21 1avx n THR 98 Ca -0.03 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1avx n THR 98 Cb 0.09 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1avx n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1avx n LEU 99 N -1.32 0.53 -4.77 3.22 4.77 0.20 -4.98 117.00 114.65 1avx n LEU 99 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 1avx n LEU 99 Cb 0.20 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 1avx n LEU 99 CO 0.19 -0.32 0.83 -0.62 -1.33 0.00 0.00 177.39 176.13 1avx s ASP 100 N -2.37 6.56 -0.98 -1.43 2.15 -1.22 -3.64 116.67 115.74 1avx s ASP 100 Ca 0.00 2.31 -0.05 0.00 0.43 0.00 0.00 52.55 55.24 1avx s ASP 100 Cb 0.00 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1avx s ASP 100 CO 0.00 -0.65 0.84 0.59 -0.17 0.00 0.00 175.17 175.79 1avx n ASN 101 N 0.07 -4.36 -4.57 -0.34 5.03 -1.26 -1.36 115.26 108.48 1avx n ASN 101 Ca 0.04 -0.42 -0.40 0.00 0.87 0.00 0.00 54.58 54.67 1avx n ASN 101 Cb 0.47 -3.89 -0.02 0.00 -1.02 0.00 0.00 39.78 35.31 1avx n ASN 101 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1avx s ASP 102 N -3.46 6.45 -0.24 6.41 2.15 -1.24 -4.34 116.67 122.41 1avx s ASP 102 Ca 0.31 -1.68 -0.17 0.00 0.43 0.00 0.00 52.55 51.44 1avx s ASP 102 Cb -0.14 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.98 1avx s ASP 102 CO 0.54 -1.55 0.61 -0.51 -0.17 0.00 0.00 175.17 174.09 1avx s ILE 103 N 5.31 -0.00 0.03 4.11 2.07 -1.26 -3.89 121.20 127.57 1avx s ILE 103 Ca 0.51 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1avx s ILE 103 Cb 0.01 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.70 1avx s ILE 103 CO -0.04 0.01 -0.02 0.00 -1.91 0.00 0.00 174.94 172.98 1avx s MET 104 N 0.98 0.45 -0.07 3.50 0.23 0.25 -0.69 119.30 123.95 1avx s MET 104 Ca -0.05 -0.88 0.02 0.00 -1.03 0.00 0.00 55.69 53.75 1avx s MET 104 Cb -0.05 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.38 1avx s MET 104 CO -0.09 -0.08 -0.12 -0.51 -2.03 0.00 0.00 175.02 172.19 1avx s LEU 105 N -2.12 2.82 -0.14 0.18 1.43 -0.05 -0.26 118.68 120.54 1avx s LEU 105 Ca -0.06 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1avx s LEU 105 Cb -0.02 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1avx s LEU 105 CO -0.05 0.31 -0.20 -0.63 0.23 0.00 0.00 176.35 176.01 1avx s ILE 106 N -0.49 1.92 -0.33 -0.59 1.01 0.29 -1.15 121.20 121.86 1avx s ILE 106 Ca 0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1avx s ILE 106 Cb -0.12 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1avx s ILE 106 CO 0.02 0.52 0.54 -0.75 0.00 0.00 0.00 174.94 175.27 1avx s LYS 107 N 0.97 3.75 0.17 2.79 2.20 0.69 0.95 119.74 131.26 1avx s LYS 107 Ca -0.04 0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.27 1avx s LYS 107 Cb -0.15 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.30 1avx s LYS 107 CO -0.04 -0.59 1.57 -0.51 -0.36 0.00 0.00 175.35 175.42 1avx s LEU 108 N 2.44 4.37 0.00 5.43 1.43 0.57 0.05 118.68 132.97 1avx s LEU 108 Ca 0.21 2.63 0.09 0.00 -1.03 0.00 0.00 54.13 56.03 1avx s LEU 108 Cb -0.15 -3.60 0.51 0.00 0.03 0.00 0.00 46.19 42.98 1avx s LEU 108 CO 0.13 -0.82 0.93 -1.54 0.23 0.00 0.00 176.35 175.27 1avx n SER 109 N 3.84 0.00 -3.53 2.29 3.41 -0.55 -4.45 113.62 114.63 1avx n SER 109 Ca 0.13 -0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 58.21 1avx n SER 109 Cb 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1avx n SER 109 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1avx s SER 110 N -1.87 -0.67 0.36 4.04 0.01 -1.26 -5.03 113.70 109.28 1avx s SER 110 Ca 0.13 0.97 -0.28 0.00 1.31 0.00 0.00 55.95 58.08 1avx s SER 110 Cb 0.06 1.60 -0.12 0.00 0.21 0.00 0.00 66.02 67.77 1avx s SER 110 CO 0.10 -0.14 1.32 -0.81 0.41 0.00 0.00 173.24 174.12 1avx n PRO 111 N 4.61 2.19 -1.15 12.44 -0.04 -1.26 -4.93 135.00 146.86 1avx n PRO 111 Ca -0.13 0.77 -0.29 0.00 -0.04 0.00 0.00 63.50 63.81 1avx n PRO 111 Cb 0.54 -2.39 0.20 0.00 -0.04 0.00 0.00 33.50 31.81 1avx n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1avx s ALA 112 N -1.11 0.83 -0.64 0.55 0.00 0.15 -4.96 121.76 116.57 1avx s ALA 112 Ca 0.56 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 1avx s ALA 112 Cb -0.54 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 19.71 1avx s ALA 112 CO 0.62 -3.10 0.54 0.99 0.00 0.00 0.00 175.76 174.80 1avx s THR 113 N -3.00 4.71 0.06 0.00 2.01 -1.26 -4.90 115.64 113.27 1avx s THR 113 Ca 0.67 -2.27 -0.31 0.00 0.31 0.00 0.00 61.69 60.09 1avx s THR 113 Cb -0.16 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 1avx s THR 113 CO 0.57 -0.90 1.62 -0.76 -0.69 0.00 0.00 174.62 174.46 1avx s LEU 114 N 0.63 4.36 0.00 4.42 1.02 -1.26 -4.76 118.68 123.09 1avx s LEU 114 Ca 0.12 2.44 0.00 0.00 0.02 0.00 0.00 54.13 56.71 1avx s LEU 114 Cb -0.20 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.45 1avx s LEU 114 CO -0.04 -0.86 0.00 -0.46 0.02 0.00 0.00 176.35 175.01 1avx n ASN 115 N 5.56 0.00 0.16 2.29 2.04 -0.46 -4.98 115.26 119.86 1avx n ASN 115 Ca 0.15 0.00 -0.08 0.00 -0.44 0.00 0.00 54.58 54.22 1avx n ASN 115 Cb 0.41 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.62 1avx n ASN 115 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1avx h SER 116 N 0.00 -0.50 0.00 0.53 4.64 -2.00 -2.84 113.55 113.37 1avx h SER 116 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1avx h SER 116 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1avx h SER 116 CO 0.00 -0.29 0.00 0.54 -0.87 0.00 0.00 176.83 176.21 1avx n ARG 117 N -3.48 0.60 -3.30 4.77 3.00 -1.26 -4.30 116.66 112.69 1avx n ARG 117 Ca -0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.58 1avx n ARG 117 Cb 0.19 -1.39 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 1avx n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1avx s VAL 118 N -2.00 -0.13 0.12 1.55 1.01 -1.07 -4.08 120.40 115.80 1avx s VAL 118 Ca 0.23 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.54 1avx s VAL 118 Cb 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1avx s VAL 118 CO 0.17 -0.79 0.10 0.00 0.00 0.00 0.00 175.10 174.58 1avx n ALA 119 N 3.53 0.19 -2.78 5.51 0.00 -0.91 -1.35 120.51 124.70 1avx n ALA 119 Ca 0.19 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 1avx n ALA 119 Cb 0.46 0.19 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 1avx n ALA 119 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1avx s THR 120 N -0.52 1.43 0.32 0.00 -4.23 -1.26 -3.56 115.64 107.81 1avx s THR 120 Ca 0.07 -0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 59.63 1avx s THR 120 Cb -0.01 -1.22 -0.10 0.00 1.34 0.00 0.00 72.50 72.52 1avx s THR 120 CO 0.05 0.41 0.86 0.54 -0.54 0.00 0.00 174.62 175.94 1avx s VAL 121 N -0.10 4.40 0.25 2.29 0.11 -0.74 -4.92 120.40 121.69 1avx s VAL 121 Ca -0.01 1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 60.25 1avx s VAL 121 Cb -0.10 -3.84 -0.09 0.00 -1.53 0.00 0.00 36.38 30.82 1avx s VAL 121 CO 0.01 0.03 0.98 -0.55 -3.33 0.00 0.00 175.10 172.24 1avx s SER 122 N -1.82 7.54 0.45 3.54 0.15 -1.26 -4.59 113.70 117.71 1avx s SER 122 Ca 0.51 2.03 -0.22 0.00 0.70 0.00 0.00 55.95 58.97 1avx s SER 122 Cb -0.15 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.46 1avx s SER 122 CO 0.20 0.08 1.05 -0.76 1.20 0.00 0.00 173.24 175.01 1avx s LEU 123 N -1.26 3.99 0.16 3.45 1.43 -1.26 -0.75 118.68 124.43 1avx s LEU 123 Ca 0.42 2.01 -0.31 0.00 -1.03 0.00 0.00 54.13 55.21 1avx s LEU 123 Cb -0.27 -4.37 -0.10 0.00 0.03 0.00 0.00 46.19 41.47 1avx s LEU 123 CO 0.34 -0.67 1.67 -2.16 0.23 0.00 0.00 176.35 175.77 1avx s PRO 124 N -2.86 4.17 0.35 1.29 0.04 -1.25 -4.73 135.00 132.01 1avx s PRO 124 Ca 0.63 2.47 0.19 0.00 0.04 0.00 0.00 61.00 64.33 1avx s PRO 124 Cb -0.20 -3.28 0.30 0.00 0.04 0.00 0.00 34.50 31.36 1avx s PRO 124 CO 0.24 -0.71 1.56 0.00 0.04 0.00 0.00 177.00 178.13 1avx h ARG 125 N 7.35 0.00 -3.10 4.56 3.08 -1.94 -3.47 114.38 120.87 1avx h ARG 125 Ca -0.43 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.66 1avx h ARG 125 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1avx h ARG 125 CO 0.94 0.33 0.18 -1.54 -1.07 0.00 0.00 179.97 178.80 1avx s SER 127 N -6.34 -0.22 0.35 7.04 1.04 -1.26 -5.16 113.70 109.14 1avx s SER 127 Ca 0.04 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.55 1avx s SER 127 Cb 0.07 0.72 -0.10 0.00 0.10 0.00 0.00 66.02 66.81 1avx s SER 127 CO 0.71 -1.34 0.93 0.00 0.98 0.00 0.00 173.24 174.51 1avx s ALA 129 N -1.78 3.67 0.66 0.00 0.00 -1.26 -5.01 121.76 118.04 1avx s ALA 129 Ca 0.53 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 1avx s ALA 129 Cb -0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1avx s ALA 129 CO 0.20 -0.68 1.05 0.00 0.00 0.00 0.00 175.76 176.34 1avx s ALA 130 N 1.08 2.92 0.55 0.00 0.00 -1.26 -4.99 121.76 120.06 1avx s ALA 130 Ca 0.66 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1avx s ALA 130 Cb -0.40 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1avx s ALA 130 CO 0.31 -0.94 1.37 0.00 0.00 0.00 0.00 175.76 176.49 1avx s ALA 132 N -3.18 2.80 0.00 0.00 0.00 -1.26 -2.33 121.76 117.79 1avx s ALA 132 Ca 0.57 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1avx s ALA 132 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1avx s ALA 132 CO 0.54 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1avx n GLY 133 N 0.74 1.62 3.67 0.00 0.00 -0.13 -4.95 105.19 106.15 1avx n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1avx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1avx s THR 134 N -3.28 3.86 0.44 2.61 2.01 -0.98 -4.74 115.64 115.55 1avx s THR 134 Ca 0.00 1.15 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 1avx s THR 134 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1avx s THR 134 CO 0.00 -0.05 1.09 -0.70 -0.69 0.00 0.00 174.62 174.27 1avx s GLU 135 N 3.06 3.93 0.15 4.92 2.12 -1.26 -1.48 118.70 130.14 1avx s GLU 135 Ca 0.63 1.59 -0.04 0.00 0.36 0.00 0.00 54.97 57.52 1avx s GLU 135 Cb -0.29 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 1avx s GLU 135 CO 0.24 -0.36 0.15 0.00 -0.54 0.00 0.00 175.26 174.74 1avx s LEU 137 N -3.04 2.13 -0.03 0.00 2.96 -0.29 -1.47 118.68 118.94 1avx s LEU 137 Ca 0.24 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1avx s LEU 137 Cb 0.06 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1avx s LEU 137 CO 0.03 0.05 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.32 1avx s ILE 138 N 1.00 2.91 0.12 6.68 1.01 0.66 -0.98 121.20 132.61 1avx s ILE 138 Ca -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1avx s ILE 138 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1avx s ILE 138 CO -0.06 0.54 0.06 -0.94 0.00 0.00 0.00 174.94 174.54 1avx s SER 139 N -0.87 0.31 0.00 3.58 1.04 -1.26 0.48 113.70 116.98 1avx s SER 139 Ca 0.12 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1avx s SER 139 Cb -0.11 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1avx s SER 139 CO 0.01 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1avx n GLY 140 N -0.08 0.39 0.59 7.32 0.00 -1.06 -4.59 105.19 107.77 1avx n GLY 140 Ca -0.06 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 44.93 1avx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1avx n TRP 141 N -0.62 0.46 -1.58 1.61 8.01 -1.26 -1.53 117.44 122.53 1avx n TRP 141 Ca 0.00 -1.18 -0.30 0.00 -1.31 0.00 0.00 57.50 54.71 1avx n TRP 141 Cb 0.00 -0.28 0.21 0.00 -2.01 0.00 0.00 31.31 29.23 1avx n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1avx s GLY 142 N -2.64 1.69 0.34 6.99 0.00 -1.25 -4.42 107.32 108.04 1avx s GLY 142 Ca 0.38 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.75 1avx s GLY 142 CO 0.02 -0.27 1.10 -2.01 0.00 0.00 0.00 173.10 171.94 1avx n ASN 143 N -4.17 1.76 -0.00 1.64 2.85 0.95 -2.86 115.26 115.43 1avx n ASN 143 Ca 0.14 1.15 0.09 0.00 -0.11 0.00 0.00 54.58 55.86 1avx n ASN 143 Cb 0.59 -1.37 -0.11 0.00 1.24 0.00 0.00 39.78 40.14 1avx n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1avx n THR 144 N 0.09 0.00 -4.54 -0.44 -2.24 -0.75 -1.99 114.28 104.41 1avx n THR 144 Ca 0.08 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1avx n THR 144 Cb 0.35 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1avx n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1avx s LYS 145 N -2.83 2.92 0.06 -0.78 1.02 -1.26 -4.40 119.74 114.46 1avx s LYS 145 Ca 0.06 -0.51 -0.34 0.00 0.02 0.00 0.00 55.97 55.20 1avx s LYS 145 Cb 0.14 -2.68 -0.19 0.00 -0.52 0.00 0.00 37.83 34.58 1avx s LYS 145 CO 0.78 0.62 1.53 0.77 -0.92 0.00 0.00 175.35 178.13 1avx h SER 146 N 5.41 -0.96 -3.29 2.83 0.02 -1.94 -3.41 113.55 112.21 1avx h SER 146 Ca -0.47 0.03 -0.63 0.00 -0.84 0.00 0.00 61.79 59.88 1avx h SER 146 Cb 1.18 0.25 -0.19 0.00 0.14 0.00 0.00 62.40 63.77 1avx h SER 146 CO 0.54 -0.66 -0.63 -0.44 -1.14 0.00 0.00 176.83 174.51 1avx s SER 147 N -4.22 5.13 0.00 3.07 0.01 -1.26 -4.74 113.70 111.68 1avx s SER 147 Ca -0.18 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1avx s SER 147 Cb 0.02 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1avx s SER 147 CO 0.59 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.02 1avx n GLY 148 N 3.52 -3.03 2.74 3.44 0.00 -1.26 -4.98 105.19 105.62 1avx n GLY 148 Ca -0.17 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1avx n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1avx s SER 149 N -1.76 0.77 -0.23 1.61 1.04 -1.26 -4.47 113.70 109.40 1avx s SER 149 Ca 0.00 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 1avx s SER 149 Cb 0.00 -0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.17 1avx s SER 149 CO 0.00 -0.22 0.02 -0.55 0.98 0.00 0.00 173.24 173.47 1avx s SER 150 N 1.92 3.49 -0.33 7.02 0.15 -1.26 -4.98 113.70 119.71 1avx s SER 150 Ca 0.01 -1.14 -0.17 0.00 0.70 0.00 0.00 55.95 55.36 1avx s SER 150 Cb -0.12 -0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1avx s SER 150 CO -0.04 -0.31 0.45 -0.31 1.20 0.00 0.00 173.24 174.23 1avx s TYR 151 N 1.64 3.21 0.76 3.44 2.02 -1.26 -1.81 117.35 125.35 1avx s TYR 151 Ca 0.00 0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 1avx s TYR 151 Cb -0.18 -2.78 0.05 0.00 -0.40 0.00 0.00 41.96 38.65 1avx s TYR 151 CO -0.11 -0.44 1.08 -1.25 -1.57 0.00 0.00 175.55 173.26 1avx s PRO 152 N 2.23 2.34 -0.20 -1.71 0.04 -1.26 -4.99 135.00 131.46 1avx s PRO 152 Ca 0.16 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 1avx s PRO 152 Cb -0.16 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 1avx s PRO 152 CO 0.12 -1.56 0.27 0.77 0.04 0.00 0.00 177.00 176.64 1avx h SER 153 N -1.06 0.00 -4.10 6.66 0.02 -1.94 -3.47 113.55 109.66 1avx h SER 153 Ca -0.44 -0.55 -0.46 0.00 -0.84 0.00 0.00 61.79 59.50 1avx h SER 153 Cb 1.23 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.79 1avx h SER 153 CO 0.53 1.38 0.37 -0.76 -1.14 0.00 0.00 176.83 177.21 1avx s LEU 154 N -7.94 3.79 0.43 5.07 2.01 -1.26 -1.33 118.68 119.46 1avx s LEU 154 Ca -0.27 1.79 -0.24 0.00 0.01 0.00 0.00 54.13 55.42 1avx s LEU 154 Cb 0.04 -4.54 -0.08 0.00 0.01 0.00 0.00 46.19 41.62 1avx s LEU 154 CO 0.58 -0.68 1.22 -0.22 1.01 0.00 0.00 176.35 178.26 1avx s LEU 155 N -3.62 4.11 0.07 1.79 2.96 -0.40 -4.81 118.68 118.78 1avx s LEU 155 Ca 0.64 2.44 0.05 0.00 -0.22 0.00 0.00 54.13 57.04 1avx s LEU 155 Cb -0.13 -4.08 -0.04 0.00 0.50 0.00 0.00 46.19 42.44 1avx s LEU 155 CO 0.22 -0.87 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.24 1avx s GLN 156 N -2.46 2.47 0.14 1.98 -1.52 -0.58 -1.95 119.66 117.74 1avx s GLN 156 Ca 0.60 -0.84 0.10 0.00 -1.95 0.00 0.00 55.36 53.27 1avx s GLN 156 Cb -0.33 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 1avx s GLN 156 CO 0.41 0.55 -0.24 0.00 -0.25 0.00 0.00 175.29 175.75 1avx s LEU 158 N -2.22 1.12 -0.27 0.00 2.96 0.18 -0.43 118.68 120.01 1avx s LEU 158 Ca 0.14 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1avx s LEU 158 Cb -0.09 0.55 -0.02 0.00 0.50 0.00 0.00 46.19 47.13 1avx s LEU 158 CO 0.07 -0.09 0.11 -0.54 -1.32 0.00 0.00 176.35 174.57 1avx s LYS 159 N 0.45 3.54 -0.05 1.98 -0.14 -1.26 -0.25 119.74 124.01 1avx s LYS 159 Ca -0.03 -0.56 -0.08 0.00 -1.36 0.00 0.00 55.97 53.94 1avx s LYS 159 Cb -0.04 -3.43 0.02 0.00 -1.68 0.00 0.00 37.83 32.69 1avx s LYS 159 CO -0.02 -0.27 0.20 0.00 -0.76 0.00 0.00 175.35 174.49 1avx s ALA 160 N 1.62 -0.48 0.17 5.17 0.00 -0.54 -4.97 121.76 122.72 1avx s ALA 160 Ca 0.06 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 1avx s ALA 160 Cb -0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1avx s ALA 160 CO 0.05 -0.14 0.44 -1.25 0.00 0.00 0.00 175.76 174.86 1avx s PRO 161 N -0.42 3.70 -0.53 0.00 0.05 -1.26 -1.06 135.00 135.49 1avx s PRO 161 Ca -0.05 0.08 -0.28 0.00 0.05 0.00 0.00 61.00 60.80 1avx s PRO 161 Cb -0.03 -2.79 0.02 0.00 0.05 0.00 0.00 34.50 31.74 1avx s PRO 161 CO 0.01 0.42 1.36 0.54 0.05 0.00 0.00 177.00 179.38 1avx s VAL 162 N -1.68 3.87 0.71 -0.36 0.11 -0.55 -2.46 120.40 120.04 1avx s VAL 162 Ca 0.42 0.79 -0.16 0.00 -2.93 0.00 0.00 61.98 60.11 1avx s VAL 162 Cb -0.12 -4.46 0.03 0.00 -1.53 0.00 0.00 36.38 30.30 1avx s VAL 162 CO 0.23 -1.12 1.24 -0.76 -3.33 0.00 0.00 175.10 171.35 1avx s LEU 163 N 5.66 3.39 0.56 2.54 1.43 -0.60 -0.95 118.68 130.70 1avx s LEU 163 Ca 0.52 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.88 1avx s LEU 163 Cb -0.10 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1avx s LEU 163 CO 0.27 -2.21 1.10 -0.94 0.23 0.00 0.00 176.35 174.80 1avx s SER 164 N -1.82 5.72 0.16 2.29 1.04 -1.26 -4.42 113.70 115.41 1avx s SER 164 Ca 0.77 2.07 -0.13 0.00 0.48 0.00 0.00 55.95 59.13 1avx s SER 164 Cb -0.32 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.28 1avx s SER 164 CO 0.44 -1.21 1.73 -0.78 0.98 0.00 0.00 173.24 174.39 1avx h ASP 165 N 0.98 0.71 -0.99 7.02 3.58 -1.96 0.35 116.42 126.11 1avx h ASP 165 Ca -0.49 -0.15 0.18 0.00 0.42 0.00 0.00 57.03 56.99 1avx h ASP 165 Cb 1.25 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.02 1avx h ASP 165 CO 0.57 0.67 0.61 0.28 -2.88 0.00 0.00 179.24 178.49 1avx h SER 166 N 0.71 0.75 0.07 2.28 0.02 -2.00 -0.34 113.55 115.04 1avx h SER 166 Ca 0.18 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1avx h SER 166 Cb 0.16 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1avx h SER 166 CO -0.02 0.30 -0.48 0.28 -1.14 0.00 0.00 176.83 175.77 1avx h SER 167 N 0.75 0.22 0.08 3.07 0.02 -1.77 -3.30 113.55 112.61 1avx h SER 167 Ca 0.55 -0.95 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1avx h SER 167 Cb 0.87 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 1avx h SER 167 CO -0.32 1.22 -0.45 0.00 -1.14 0.00 0.00 176.83 176.14 1avx h LYS 169 N -0.65 0.49 -0.84 0.00 1.79 -1.25 -0.92 116.57 115.19 1avx h LYS 169 Ca 0.02 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1avx h LYS 169 Cb 0.69 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 1avx h LYS 169 CO -0.28 0.32 0.53 0.77 -1.08 0.00 0.00 179.45 179.71 1avx h SER 170 N 0.50 0.86 0.73 0.86 0.02 -1.49 -1.37 113.55 113.66 1avx h SER 170 Ca 0.57 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.42 1avx h SER 170 Cb 1.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1avx h SER 170 CO -0.48 0.58 -0.49 0.28 -1.14 0.00 0.00 176.83 175.57 1avx h SER 171 N 1.01 0.00 -2.26 3.07 0.02 -1.00 -3.31 113.55 111.07 1avx h SER 171 Ca 0.35 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.71 1avx h SER 171 Cb 0.07 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.21 1avx h SER 171 CO -0.14 0.49 -0.87 -1.22 -1.14 0.00 0.00 176.83 173.95 1avx n TYR 172 N -3.67 1.09 -1.79 3.45 4.01 -0.89 -4.91 117.16 114.46 1avx n TYR 172 Ca -0.01 -3.77 -0.42 0.00 -0.16 0.00 0.00 57.90 53.54 1avx n TYR 172 Cb 0.56 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1avx n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1avx s PRO 173 N -1.34 4.14 0.00 -0.72 0.04 -0.57 -2.39 135.00 134.16 1avx s PRO 173 Ca 0.35 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1avx s PRO 173 Cb 0.11 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1avx s PRO 173 CO -0.11 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1avx n GLY 174 N 2.90 2.56 0.01 0.56 0.00 -1.26 -4.85 105.19 105.10 1avx n GLY 174 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1avx n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1avx n GLN 175 N -2.00 0.57 -2.86 1.61 6.02 -1.00 -4.94 117.38 114.78 1avx n GLN 175 Ca 0.00 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.47 1avx n GLN 175 Cb 0.00 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 1avx n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1avx s ILE 176 N -3.16 4.85 0.64 5.09 -1.09 -1.25 -5.03 121.20 121.25 1avx s ILE 176 Ca -0.01 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1avx s ILE 176 Cb 0.14 -4.16 0.12 0.00 -1.58 0.00 0.00 42.46 36.98 1avx s ILE 176 CO 0.83 -0.02 0.88 0.35 -1.23 0.00 0.00 174.94 175.75 1avx n THR 177 N 4.89 0.00 0.41 2.92 -2.24 -1.26 -4.97 114.28 114.02 1avx n THR 177 Ca 0.06 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.50 1avx n THR 177 Cb 0.48 -0.89 0.50 0.00 -2.10 0.00 0.00 70.33 68.33 1avx n THR 177 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1avx h GLY 178 N -0.45 0.00 -2.37 3.38 0.00 -2.04 -3.15 103.07 98.44 1avx h GLY 178 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1avx h GLY 178 CO 0.32 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.56 1avx n ASN 179 N -2.43 3.61 -4.27 0.19 3.02 -1.26 -4.95 115.26 109.17 1avx n ASN 179 Ca 0.02 -1.98 -0.30 0.00 -0.03 0.00 0.00 54.58 52.29 1avx n ASN 179 Cb 0.29 -0.35 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 1avx n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1avx s MET 180 N -1.21 1.99 0.33 3.52 -1.94 -1.19 0.71 119.30 121.50 1avx s MET 180 Ca 0.41 -0.86 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1avx s MET 180 Cb 0.23 -1.90 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 1avx s MET 180 CO 0.31 0.51 -0.10 0.96 -0.01 0.00 0.00 175.02 176.69 1avx s ILE 181 N -0.53 2.41 0.05 2.53 -4.36 0.02 -4.71 121.20 116.61 1avx s ILE 181 Ca 0.08 -2.20 0.05 0.00 -0.26 0.00 0.00 60.65 58.32 1avx s ILE 181 Cb -0.10 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1avx s ILE 181 CO -0.01 -0.25 -0.08 0.00 0.24 0.00 0.00 174.94 174.84 1avx s VAL 183 N -1.09 -0.56 -0.72 0.00 1.01 -1.00 -1.56 120.40 116.47 1avx s VAL 183 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1avx s VAL 183 Cb -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1avx s VAL 183 CO 0.10 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1avx n GLY 184 N 5.37 -0.38 2.82 4.51 0.00 -1.03 -3.79 105.19 112.69 1avx n GLY 184 Ca -0.06 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1avx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1avx s PHE 184 N -4.00 0.65 -1.03 1.61 0.08 -1.26 -4.43 117.98 109.60 1avx s PHE 184 Ca 0.00 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 56.94 1avx s PHE 184 Cb 0.00 -0.69 0.23 0.00 -0.57 0.00 0.00 43.02 41.99 1avx s PHE 184 CO 0.00 -0.25 1.16 1.28 -0.10 0.00 0.00 175.22 177.31 1avx n LEU 185 N 4.58 0.00 -0.13 -0.37 4.77 -1.26 -1.37 117.00 123.22 1avx n LEU 185 Ca -0.17 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1avx n LEU 185 Cb 0.50 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1avx n LEU 185 CO 0.17 -0.40 0.37 -0.62 -1.33 0.00 0.00 177.39 175.58 1avx n GLU 186 N -1.48 0.37 0.00 3.23 4.71 -1.26 0.02 120.64 126.22 1avx n GLU 186 Ca 0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 1avx n GLU 186 Cb 0.06 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 1avx n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1avx n GLY 187 N 1.45 -1.79 3.05 0.62 0.00 -0.47 -4.63 105.19 103.42 1avx n GLY 187 Ca 0.07 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1avx n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avx n GLY 188 N 0.00 2.05 3.45 -0.02 0.00 -0.60 -4.79 105.19 105.28 1avx n GLY 188 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1avx n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1avx s LYS 188 N 0.00 3.66 0.26 1.61 1.02 -1.26 -3.90 119.74 121.13 1avx s LYS 188 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 1avx s LYS 188 Cb 0.00 -3.25 0.06 0.00 -0.52 0.00 0.00 37.83 34.12 1avx s LYS 188 CO 0.00 -0.11 0.82 -3.47 -0.92 0.00 0.00 175.35 171.67 1avx n ASP 189 N 4.66 -1.80 -1.67 2.83 2.03 -0.57 -4.23 116.55 117.80 1avx n ASP 189 Ca -0.16 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.04 1avx n ASP 189 Cb 0.52 2.96 0.00 0.00 -0.72 0.00 0.00 41.12 43.88 1avx n ASP 189 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1avx n SER 190 N -1.35 0.00 -0.64 1.67 3.41 -1.26 0.13 113.62 115.59 1avx n SER 190 Ca -0.05 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1avx n SER 190 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1avx n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1avx n GLN 192 N 0.00 2.75 0.00 0.00 3.00 -1.26 -1.81 117.38 120.05 1avx n GLN 192 Ca 0.00 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 1avx n GLN 192 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.39 1avx n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1avx n GLY 193 N 4.00 0.28 0.00 1.08 0.00 -1.26 -0.04 105.19 109.26 1avx n GLY 193 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1avx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1avx n ASP 194 N 0.00 0.86 -4.43 1.61 8.00 -0.75 -3.75 116.55 118.09 1avx n ASP 194 Ca 0.00 -0.41 -0.41 0.00 0.71 0.00 0.00 54.79 54.68 1avx n ASP 194 Cb 0.00 1.45 0.01 0.00 -0.02 0.00 0.00 41.12 42.56 1avx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1avx n SER 195 N -1.80 -1.22 0.00 -2.24 7.64 -1.26 -2.09 113.62 112.65 1avx n SER 195 Ca -0.00 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1avx n SER 195 Cb 0.38 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1avx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1avx n GLY 196 N 1.87 2.88 3.47 0.23 0.00 -0.86 -0.84 105.19 111.93 1avx n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1avx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1avx s GLY 197 N -1.33 1.52 0.58 -0.02 0.00 -0.89 -3.77 107.32 103.41 1avx s GLY 197 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.37 1avx s GLY 197 CO 0.00 0.48 0.88 2.56 0.00 0.00 0.00 173.10 177.02 1avx s PRO 198 N -4.59 2.87 -0.30 2.90 0.04 -1.26 -2.08 135.00 132.57 1avx s PRO 198 Ca 0.68 -0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 1avx s PRO 198 Cb -0.23 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.14 1avx s PRO 198 CO 0.63 -0.70 0.23 0.08 0.04 0.00 0.00 177.00 177.28 1avx s VAL 199 N -2.96 -0.21 -0.23 -0.36 1.01 -0.66 -4.02 120.40 112.97 1avx s VAL 199 Ca 0.54 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1avx s VAL 199 Cb -0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1avx s VAL 199 CO 0.44 -0.63 0.13 -0.69 0.00 0.00 0.00 175.10 174.35 1avx s VAL 200 N 2.05 5.11 -0.16 2.92 1.01 -0.16 -2.02 120.40 129.16 1avx s VAL 200 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1avx s VAL 200 Cb -0.16 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1avx s VAL 200 CO -0.29 0.37 -0.19 0.00 0.00 0.00 0.00 175.10 174.99 1avx n ASN 202 N 4.22 -1.12 -1.91 0.00 5.03 -1.26 -1.29 115.26 118.93 1avx n ASN 202 Ca -0.20 -1.05 -0.19 0.00 0.87 0.00 0.00 54.58 54.01 1avx n ASN 202 Cb 0.51 -2.89 -0.03 0.00 -1.02 0.00 0.00 39.78 36.34 1avx n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1avx n GLY 203 N -2.00 0.35 2.93 7.41 0.00 -1.26 -4.98 105.19 107.65 1avx n GLY 203 Ca -0.27 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1avx n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1avx s GLN 204 N -4.48 0.09 -0.51 1.61 -0.21 -0.41 -4.27 119.66 111.47 1avx s GLN 204 Ca 0.00 0.19 -0.28 0.00 0.02 0.00 0.00 55.36 55.28 1avx s GLN 204 Cb 0.00 -0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.99 1avx s GLN 204 CO 0.00 -0.06 1.41 -1.17 -2.12 0.00 0.00 175.29 173.35 1avx s LEU 209 N 0.40 3.47 -0.16 2.90 2.96 0.07 0.45 118.68 128.77 1avx s LEU 209 Ca -0.03 0.47 0.17 0.00 -0.22 0.00 0.00 54.13 54.52 1avx s LEU 209 Cb -0.04 -3.23 0.47 0.00 0.50 0.00 0.00 46.19 43.89 1avx s LEU 209 CO -0.02 -1.62 1.36 0.00 -1.32 0.00 0.00 176.35 174.76 1avx n GLN 210 N 8.45 2.64 0.00 1.98 1.13 -0.86 -3.76 117.38 126.96 1avx n GLN 210 Ca 0.14 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.47 1avx n GLN 210 Cb 0.49 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1avx n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1avx n GLY 211 N -0.61 1.55 2.95 1.08 0.00 -1.16 -4.52 105.19 104.48 1avx n GLY 211 Ca 0.20 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1avx n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avx s ILE 212 N -2.00 1.00 0.20 -0.61 1.01 -0.90 -1.65 121.20 118.25 1avx s ILE 212 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 1avx s ILE 212 Cb 0.00 -0.97 -0.14 0.00 0.01 0.00 0.00 42.46 41.35 1avx s ILE 212 CO 0.00 0.34 1.37 0.52 0.00 0.00 0.00 174.94 177.18 1avx n VAL 213 N 4.38 0.70 0.07 2.92 0.31 -0.89 -1.26 118.33 124.56 1avx n VAL 213 Ca -0.18 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1avx n VAL 213 Cb 0.51 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1avx n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1avx n SER 214 N 2.36 -0.04 -3.62 4.52 2.88 -1.04 -2.02 113.62 116.66 1avx n SER 214 Ca 0.14 0.24 -0.05 0.00 -1.33 0.00 0.00 58.87 57.87 1avx n SER 214 Cb 0.28 0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1avx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1avx s TRP 215 N -2.00 -0.08 0.00 0.66 1.48 -0.03 -4.93 118.94 114.04 1avx s TRP 215 Ca 0.00 -0.33 -0.28 0.00 -1.06 0.00 0.00 56.10 54.43 1avx s TRP 215 Cb 0.00 0.70 0.10 0.00 -1.16 0.00 0.00 33.47 33.10 1avx s TRP 215 CO 0.00 -1.06 1.26 0.20 -4.06 0.00 0.00 176.95 173.30 1avx s GLY 216 N -3.02 -0.15 -0.37 3.67 0.00 -1.26 0.29 107.32 106.48 1avx s GLY 216 Ca 0.14 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 1avx s GLY 216 CO 0.05 4.36 0.14 -0.19 0.00 0.00 0.00 173.10 177.45 1avx s TYR 217 N -2.11 3.40 0.00 1.90 2.02 -1.26 -4.98 117.35 116.31 1avx s TYR 217 Ca 0.26 -1.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.02 1avx s TYR 217 Cb 0.00 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 1avx s TYR 217 CO -0.01 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.52 1avx n GLY 219 N 4.69 -0.17 3.28 0.71 0.00 -1.26 -4.71 105.19 107.73 1avx n GLY 219 Ca -0.08 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1avx n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avx n ALA 221 N 4.56 -0.27 -1.78 0.00 0.00 -1.26 -4.69 120.51 117.07 1avx n ALA 221 Ca -0.19 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1avx n ALA 221 Cb 0.54 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1avx n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1avx s GLN 221 N -3.52 3.76 0.23 0.00 -1.52 -1.26 -1.55 119.66 115.80 1avx s GLN 221 Ca 0.00 1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 54.38 1avx s GLN 221 Cb 0.00 -2.10 -0.09 0.00 -0.22 0.00 0.00 33.01 30.61 1avx s GLN 221 CO 0.00 -0.45 1.19 0.21 -0.25 0.00 0.00 175.29 175.99 1avx s LYS 222 N -3.48 4.52 -0.73 2.91 2.20 -1.26 -3.27 119.74 120.63 1avx s LYS 222 Ca 0.65 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1avx s LYS 222 Cb -0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1avx s LYS 222 CO 0.24 -0.02 0.00 -1.71 -0.36 0.00 0.00 175.35 173.50 1avx n ASN 223 N 1.93 -3.75 -3.30 1.43 2.85 0.10 -4.96 115.26 109.56 1avx n ASN 223 Ca 0.02 0.16 -0.23 0.00 -0.11 0.00 0.00 54.58 54.42 1avx n ASN 223 Cb 0.44 -1.95 -0.08 0.00 1.24 0.00 0.00 39.78 39.42 1avx n ASN 223 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1avx s LYS 224 N -2.72 0.88 1.03 1.20 -0.14 -1.20 -4.78 119.74 114.00 1avx s LYS 224 Ca 0.00 -1.81 -0.15 0.00 -1.36 0.00 0.00 55.97 52.65 1avx s LYS 224 Cb 0.00 -1.16 0.20 0.00 -1.68 0.00 0.00 37.83 35.20 1avx s LYS 224 CO 0.00 -1.35 1.15 -1.25 -0.76 0.00 0.00 175.35 173.14 1avx s PRO 225 N 0.35 0.18 0.38 -1.68 0.04 -1.26 -4.50 135.00 128.51 1avx s PRO 225 Ca 0.30 0.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 1avx s PRO 225 Cb -0.00 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1avx s PRO 225 CO -0.15 -2.81 0.96 0.20 0.04 0.00 0.00 177.00 175.24 1avx s GLY 226 N -4.04 2.62 -0.19 0.56 0.00 -1.25 -4.74 107.32 100.27 1avx s GLY 226 Ca 0.68 0.49 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 1avx s GLY 226 CO 0.55 0.86 0.06 0.14 0.00 0.00 0.00 173.10 174.71 1avx s VAL 227 N -1.86 4.63 -0.02 1.40 1.01 0.83 -2.38 120.40 124.02 1avx s VAL 227 Ca 0.56 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1avx s VAL 227 Cb -0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1avx s VAL 227 CO 0.20 0.44 -0.20 -0.31 0.00 0.00 0.00 175.10 175.23 1avx s TYR 228 N 0.58 1.77 0.28 5.22 1.51 -0.18 -0.85 117.35 125.68 1avx s TYR 228 Ca 0.03 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 1avx s TYR 228 Cb -0.13 -1.14 -0.11 0.00 -0.11 0.00 0.00 41.96 40.47 1avx s TYR 228 CO 0.01 -0.04 1.54 0.99 -1.11 0.00 0.00 175.55 176.94 1avx s THR 229 N -0.42 2.28 -1.10 -0.71 2.01 -0.39 -0.80 115.64 116.51 1avx s THR 229 Ca 0.07 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 1avx s THR 229 Cb -0.08 -3.15 0.15 0.00 0.01 0.00 0.00 72.50 69.42 1avx s THR 229 CO -0.00 0.04 1.33 -0.75 -0.69 0.00 0.00 174.62 174.55 1avx s LYS 230 N -0.47 3.88 0.42 4.92 2.20 0.22 -2.11 119.74 128.81 1avx s LYS 230 Ca 0.62 -2.20 0.27 0.00 -0.36 0.00 0.00 55.97 54.29 1avx s LYS 230 Cb -0.46 -5.04 1.35 0.00 -1.51 0.00 0.00 37.83 32.17 1avx s LYS 230 CO 0.46 -1.81 1.64 0.28 -0.36 0.00 0.00 175.35 175.57 1avx h VAL 231 N 5.22 0.19 -0.15 4.02 2.07 -1.86 0.30 116.25 126.03 1avx h VAL 231 Ca 0.26 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1avx h VAL 231 Cb 0.93 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1avx h VAL 231 CO 1.21 0.03 0.24 0.00 0.02 0.00 0.00 177.57 179.06 1avx n ASN 233 N -3.49 1.45 0.00 0.00 3.02 0.09 -3.92 115.26 112.41 1avx n ASN 233 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1avx n ASN 233 Cb 0.34 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1avx n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1avx n TYR 234 N 0.27 0.00 -0.25 3.10 4.01 0.29 -4.82 117.16 119.76 1avx n TYR 234 Ca 0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.88 1avx n TYR 234 Cb 0.24 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.44 1avx n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1avx h VAL 235 N 0.22 0.72 -0.38 -0.72 2.07 -1.66 0.18 116.25 116.68 1avx h VAL 235 Ca 0.00 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1avx h VAL 235 Cb 0.11 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1avx h VAL 235 CO 0.00 0.09 -0.18 -1.13 0.02 0.00 0.00 177.57 176.37 1avx h ASN 236 N 0.50 0.81 0.85 0.57 -0.00 -1.88 -0.48 115.58 115.94 1avx h ASN 236 Ca 0.40 -0.41 -0.04 0.00 -0.00 0.00 0.00 56.30 56.25 1avx h ASN 236 Cb 0.55 -0.23 0.01 0.00 -0.00 0.00 0.00 38.32 38.65 1avx h ASN 236 CO -0.36 1.04 -0.41 -0.25 -0.00 0.00 0.00 177.43 177.45 1avx h TRP 237 N 0.59 -1.05 -0.37 0.67 7.01 -1.70 -1.16 115.95 119.94 1avx h TRP 237 Ca 0.08 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.10 1avx h TRP 237 Cb 0.73 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 28.06 1avx h TRP 237 CO 0.06 -0.65 -0.54 0.82 -2.79 0.00 0.00 178.44 175.34 1avx h ILE 238 N -1.28 0.00 -0.11 2.65 2.04 -0.73 0.19 117.51 120.27 1avx h ILE 238 Ca -0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1avx h ILE 238 Cb 0.88 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1avx h ILE 238 CO 0.19 0.00 0.20 1.56 0.00 0.00 0.00 178.15 180.10 1avx h GLN 239 N -0.41 0.00 0.03 2.37 4.20 -1.08 -1.33 115.11 118.89 1avx h GLN 239 Ca 0.07 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 1avx h GLN 239 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1avx h GLN 239 CO -0.56 0.00 -0.92 1.96 -0.67 0.00 0.00 178.83 178.64 1avx h GLN 240 N 0.00 0.06 -0.44 1.46 4.20 0.25 -3.20 115.11 117.43 1avx h GLN 240 Ca 0.05 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1avx h GLN 240 Cb 0.44 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1avx h GLN 240 CO -0.00 1.05 0.14 1.15 -0.67 0.00 0.00 178.83 180.49 1avx h THR 241 N -0.84 0.83 -0.41 -0.54 2.02 -0.19 0.20 112.91 113.98 1avx h THR 241 Ca -0.23 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1avx h THR 241 Cb 1.32 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1avx h THR 241 CO -0.09 0.05 0.16 0.40 0.37 0.00 0.00 175.52 176.41 1avx h ILE 242 N 0.29 1.20 0.00 3.11 2.04 -1.44 0.17 117.51 122.88 1avx h ILE 242 Ca 0.21 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1avx h ILE 242 Cb 0.23 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1avx h ILE 242 CO -0.23 0.23 -0.16 0.00 0.00 0.00 0.00 178.15 177.98 1avx h ALA 243 N 1.00 1.50 0.00 1.87 0.00 -1.40 -2.81 119.26 119.43 1avx h ALA 243 Ca 0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1avx h ALA 243 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1avx h ALA 243 CO -0.01 0.20 -1.42 0.00 0.00 0.00 0.00 179.25 178.02 1avx h ALA 244 N 1.84 0.66 -0.01 0.00 0.00 -0.03 -3.51 119.26 118.21 1avx h ALA 244 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1avx h ALA 244 Cb 0.34 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1avx h ALA 244 CO 0.02 1.29 0.00 0.09 0.00 0.00 0.00 179.25 180.65