#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brb s VAL 17 N 0.00 5.39 -0.43 1.39 1.01 0.46 -4.21 120.40 124.01 1brb s VAL 17 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1brb s VAL 17 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1brb s VAL 17 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1brb n GLY 18 N 3.52 0.41 0.00 4.51 0.00 -1.26 -1.53 105.19 110.83 1brb n GLY 18 Ca -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1brb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brb n GLY 19 N -1.60 3.86 3.11 -0.02 0.00 -1.26 -4.85 105.19 104.43 1brb n GLY 19 Ca -0.05 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1brb n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1brb s TYR 20 N 1.58 0.71 0.16 1.61 1.13 -0.28 -4.92 117.35 117.33 1brb s TYR 20 Ca 0.00 -0.81 -0.31 0.00 -1.41 0.00 0.00 57.07 54.54 1brb s TYR 20 Cb 0.00 -0.43 -0.10 0.00 -1.10 0.00 0.00 41.96 40.33 1brb s TYR 20 CO 0.00 -0.18 1.52 0.99 -2.51 0.00 0.00 175.55 175.37 1brb s THR 21 N -2.95 2.79 0.43 -3.49 2.01 -1.26 -0.39 115.64 112.78 1brb s THR 21 Ca 0.03 0.57 -0.24 0.00 0.31 0.00 0.00 61.69 62.36 1brb s THR 21 Cb 0.01 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1brb s THR 21 CO -0.04 0.05 1.14 0.00 -0.69 0.00 0.00 174.62 175.08 1brb s GLN 23 N -2.55 3.87 -0.10 0.00 0.74 -1.26 -4.77 119.66 115.58 1brb s GLN 23 Ca 0.61 2.12 -0.35 0.00 0.05 0.00 0.00 55.36 57.78 1brb s GLN 23 Cb -0.28 -2.67 -0.13 0.00 1.10 0.00 0.00 33.01 31.03 1brb s GLN 23 CO 0.34 -0.56 1.82 -1.91 -0.55 0.00 0.00 175.29 174.43 1brb n GLU 24 N -0.05 1.94 -4.35 1.67 2.13 -1.26 -1.08 120.64 119.64 1brb n GLU 24 Ca 0.05 0.71 -0.38 0.00 0.66 0.00 0.00 57.16 58.20 1brb n GLU 24 Cb 0.44 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.58 1brb n GLU 24 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1brb n ASN 25 N 6.05 -2.00 0.00 4.31 4.13 -1.26 -4.86 115.26 121.63 1brb n ASN 25 Ca 0.23 -1.14 0.14 0.00 1.68 0.00 0.00 54.58 55.49 1brb n ASN 25 Cb 0.26 -2.16 0.69 0.00 -1.54 0.00 0.00 39.78 37.03 1brb n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1brb n SER 26 N -2.62 0.00 -3.33 6.41 3.41 -0.24 -4.05 113.62 113.19 1brb n SER 26 Ca 0.02 0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 1brb n SER 26 Cb 0.51 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 1brb n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1brb n VAL 27 N -1.36 1.43 0.82 -3.33 0.31 -1.26 -4.96 118.33 109.97 1brb n VAL 27 Ca 0.11 -4.86 0.10 0.00 -0.01 0.00 0.00 64.34 59.69 1brb n VAL 27 Cb 0.27 -2.02 0.48 0.00 -0.91 0.00 0.00 33.84 31.66 1brb n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1brb n PRO 28 N 0.98 0.09 0.00 5.55 -0.04 -1.26 -2.50 135.00 137.82 1brb n PRO 28 Ca 0.27 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 1brb n PRO 28 Cb 0.45 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 1brb n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1brb n TYR 29 N -1.44 0.00 -2.21 0.54 0.18 -1.15 -1.51 117.16 111.56 1brb n TYR 29 Ca 0.07 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.43 1brb n TYR 29 Cb 0.23 -0.17 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1brb n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1brb s GLN 30 N -2.88 4.39 0.20 -3.48 2.00 -1.04 -1.11 119.66 117.74 1brb s GLN 30 Ca 0.13 2.06 0.08 0.00 -2.00 0.00 0.00 55.36 55.63 1brb s GLN 30 Cb 0.18 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.75 1brb s GLN 30 CO 0.69 -0.25 -0.14 0.14 -0.50 0.00 0.00 175.29 175.22 1brb s VAL 31 N 0.08 1.73 -0.07 1.34 -7.23 -0.68 -4.44 120.40 111.12 1brb s VAL 31 Ca 0.56 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1brb s VAL 31 Cb -0.37 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1brb s VAL 31 CO 0.39 -0.59 0.03 -0.55 -0.31 0.00 0.00 175.10 174.07 1brb s SER 32 N -3.30 5.46 -0.21 4.85 0.15 -0.24 -2.82 113.70 117.59 1brb s SER 32 Ca 0.22 0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 1brb s SER 32 Cb -0.01 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1brb s SER 32 CO 0.07 0.36 0.06 -0.76 1.20 0.00 0.00 173.24 174.17 1brb s LEU 33 N -1.08 3.61 -0.03 3.45 1.02 0.14 -0.86 118.68 124.94 1brb s LEU 33 Ca 0.15 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.26 1brb s LEU 33 Cb -0.12 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1brb s LEU 33 CO 0.05 0.07 -0.08 0.21 0.02 0.00 0.00 176.35 176.62 1brb s ASN 34 N 0.99 1.13 -0.08 2.29 2.47 0.00 -1.91 114.94 119.82 1brb s ASN 34 Ca 0.04 -0.17 0.14 0.00 0.42 0.00 0.00 52.86 53.28 1brb s ASN 34 Cb -0.14 -0.32 0.27 0.00 -1.45 0.00 0.00 41.25 39.61 1brb s ASN 34 CO 0.03 0.05 1.13 -0.24 -3.72 0.00 0.00 177.10 174.35 1brb n SER 37 N 3.35 1.25 0.00 -4.21 2.88 -1.26 -0.63 113.62 115.01 1brb n SER 37 Ca -0.19 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1brb n SER 37 Cb 0.54 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1brb n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1brb n GLY 38 N -0.54 3.83 3.26 0.46 0.00 -1.26 -5.07 105.19 105.87 1brb n GLY 38 Ca 0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1brb n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1brb s TYR 39 N -0.04 0.50 0.04 1.61 -0.85 -1.26 -5.13 117.35 112.23 1brb s TYR 39 Ca 0.00 -0.89 -0.31 0.00 -0.52 0.00 0.00 57.07 55.36 1brb s TYR 39 Cb 0.00 -0.19 -0.06 0.00 0.38 0.00 0.00 41.96 42.09 1brb s TYR 39 CO 0.00 -0.62 1.31 -1.58 -1.52 0.00 0.00 175.55 173.13 1brb s HIS 40 N -3.97 3.19 0.00 -3.49 5.65 -1.26 -4.42 115.29 110.99 1brb s HIS 40 Ca 0.17 1.06 0.00 0.00 0.25 0.00 0.00 55.06 56.54 1brb s HIS 40 Cb 0.05 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.89 1brb s HIS 40 CO -0.01 -1.90 0.00 1.97 -0.65 0.00 0.00 174.74 174.14 1brb n PHE 41 N 4.48 0.00 -3.43 3.88 -1.74 -0.81 -5.02 117.46 114.83 1brb n PHE 41 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.88 1brb n PHE 41 Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 1brb n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1brb n GLY 43 N -0.29 1.90 0.00 0.00 0.00 0.91 -0.68 105.19 107.03 1brb n GLY 43 Ca -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1brb n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brb n GLY 44 N 5.00 -0.76 3.11 -0.02 0.00 -1.13 -4.05 105.19 107.35 1brb n GLY 44 Ca 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1brb n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1brb s SER 45 N 0.00 1.70 -0.28 1.61 0.01 -0.25 -1.69 113.70 114.80 1brb s SER 45 Ca 0.00 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 56.72 1brb s SER 45 Cb 0.00 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1brb s SER 45 CO 0.00 0.17 0.99 -0.22 0.41 0.00 0.00 173.24 174.59 1brb s LEU 46 N -0.28 4.03 -0.02 2.44 2.96 -0.26 -0.99 118.68 126.56 1brb s LEU 46 Ca 0.04 1.10 0.19 0.00 -0.22 0.00 0.00 54.13 55.24 1brb s LEU 46 Cb -0.06 -3.42 -0.26 0.00 0.50 0.00 0.00 46.19 42.94 1brb s LEU 46 CO -0.00 -0.72 0.51 2.30 -1.32 0.00 0.00 176.35 177.12 1brb n ILE 47 N 5.55 0.00 -3.76 6.68 -5.35 -0.79 -1.60 119.36 120.10 1brb n ILE 47 Ca 0.10 -0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.20 1brb n ILE 47 Cb 0.47 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.69 1brb n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1brb s ASN 48 N -3.74 -0.24 0.12 7.28 2.20 -1.20 -4.63 114.94 114.72 1brb s ASN 48 Ca -0.03 -0.43 0.06 0.00 -0.94 0.00 0.00 52.86 51.52 1brb s ASN 48 Cb 0.12 0.58 0.34 0.00 -2.00 0.00 0.00 41.25 40.29 1brb s ASN 48 CO 0.77 -1.05 1.10 -0.90 -2.94 0.00 0.00 177.10 174.08 1brb n ASP 49 N -0.45 0.16 0.00 3.54 5.75 -1.26 -2.14 116.55 122.16 1brb n ASP 49 Ca -0.06 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1brb n ASP 49 Cb 0.60 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1brb n ASP 49 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1brb n GLN 50 N -1.67 0.10 -4.02 0.11 7.27 -1.26 -0.80 117.38 117.12 1brb n GLN 50 Ca -0.00 -0.61 -0.13 0.00 0.07 0.00 0.00 57.00 56.33 1brb n GLN 50 Cb 0.13 -0.86 -0.13 0.00 2.41 0.00 0.00 30.24 31.79 1brb n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1brb s TRP 51 N -0.21 0.29 -0.02 3.69 0.52 -0.91 -0.79 118.94 121.52 1brb s TRP 51 Ca 0.00 -0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.01 1brb s TRP 51 Cb 0.00 -0.19 -0.01 0.00 -1.15 0.00 0.00 33.47 32.12 1brb s TRP 51 CO 0.00 -0.04 -0.20 0.08 0.02 0.00 0.00 176.95 176.81 1brb s VAL 52 N -0.41 1.58 -0.04 4.03 1.01 -0.25 -1.88 120.40 124.44 1brb s VAL 52 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1brb s VAL 52 Cb -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1brb s VAL 52 CO -0.00 0.45 -0.03 0.54 0.00 0.00 0.00 175.10 176.05 1brb s VAL 53 N -0.43 3.97 0.00 2.92 0.11 -0.16 -0.22 120.40 126.58 1brb s VAL 53 Ca 0.07 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1brb s VAL 53 Cb -0.08 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 1brb s VAL 53 CO -0.01 0.50 0.00 -0.24 -3.33 0.00 0.00 175.10 172.02 1brb n SER 54 N 1.83 0.00 -4.85 3.54 2.88 0.24 -1.09 113.62 116.18 1brb n SER 54 Ca -0.17 -0.71 -0.38 0.00 -1.33 0.00 0.00 58.87 56.29 1brb n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1brb n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1brb s ALA 55 N -1.38 3.75 0.52 -1.46 0.00 -1.26 -0.81 121.76 121.11 1brb s ALA 55 Ca 0.00 -0.34 0.21 0.00 0.00 0.00 0.00 51.96 51.83 1brb s ALA 55 Cb 0.00 -2.27 1.41 0.00 0.00 0.00 0.00 23.12 22.25 1brb s ALA 55 CO 0.00 0.51 2.15 0.00 0.00 0.00 0.00 175.76 178.42 1brb h ALA 56 N 4.82 1.73 0.00 0.00 0.00 -1.70 -0.16 119.26 123.95 1brb h ALA 56 Ca -0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1brb h ALA 56 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1brb h ALA 56 CO 0.61 0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.52 1brb n HIS 57 N -4.20 0.00 0.92 0.00 1.44 -1.26 -2.12 115.22 110.00 1brb n HIS 57 Ca -0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1brb n HIS 57 Cb 0.13 -0.14 0.29 0.00 0.12 0.00 0.00 29.99 30.39 1brb n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1brb n TYR 59 N 0.62 2.04 -3.89 0.00 9.36 -0.90 -5.02 117.16 119.38 1brb n TYR 59 Ca 0.16 0.49 -0.10 0.00 3.32 0.00 0.00 57.90 61.77 1brb n TYR 59 Cb 0.38 -2.43 -0.09 0.00 -0.63 0.00 0.00 39.34 36.57 1brb n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1brb s LYS 60 N -0.64 0.63 0.33 2.98 1.02 -1.26 -5.07 119.74 117.73 1brb s LYS 60 Ca 0.67 -0.68 0.18 0.00 0.02 0.00 0.00 55.97 56.15 1brb s LYS 60 Cb -0.66 0.26 0.35 0.00 -0.52 0.00 0.00 37.83 37.25 1brb s LYS 60 CO 0.52 -0.17 1.58 0.66 -0.92 0.00 0.00 175.35 177.02 1brb h SER 61 N 3.59 0.00 -3.14 2.83 4.64 -2.03 -3.42 113.55 116.03 1brb h SER 61 Ca -0.32 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.40 1brb h SER 61 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.92 1brb h SER 61 CO 0.49 0.41 -0.83 -0.13 -0.87 0.00 0.00 176.83 175.89 1brb s ARG 62 N -3.22 2.28 -0.01 4.77 0.52 -1.26 -5.04 118.95 116.99 1brb s ARG 62 Ca 0.03 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1brb s ARG 62 Cb 0.09 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.48 1brb s ARG 62 CO 0.71 -0.21 -0.07 0.42 0.02 0.00 0.00 175.30 176.17 1brb s ILE 63 N 1.42 0.52 -0.12 1.52 1.01 -1.26 -4.75 121.20 119.55 1brb s ILE 63 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1brb s ILE 63 Cb -0.13 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1brb s ILE 63 CO -0.09 0.15 -0.09 -1.58 0.00 0.00 0.00 174.94 173.33 1brb s GLN 64 N -0.12 3.25 -0.19 2.79 0.74 0.20 -1.24 119.66 125.10 1brb s GLN 64 Ca 0.02 -0.60 -0.09 0.00 0.05 0.00 0.00 55.36 54.73 1brb s GLN 64 Cb -0.03 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.35 1brb s GLN 64 CO -0.00 0.36 0.12 0.08 -0.55 0.00 0.00 175.29 175.30 1brb s VAL 66 N -0.01 5.35 -0.21 1.34 1.01 0.66 -0.82 120.40 127.71 1brb s VAL 66 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1brb s VAL 66 Cb -0.14 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1brb s VAL 66 CO 0.03 0.46 -0.12 -0.13 0.00 0.00 0.00 175.10 175.35 1brb s ARG 67 N 0.24 3.03 0.07 2.72 0.52 -0.04 -1.06 118.95 124.44 1brb s ARG 67 Ca 0.08 -0.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1brb s ARG 67 Cb -0.11 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1brb s ARG 67 CO -0.01 -0.27 -0.10 -0.51 0.02 0.00 0.00 175.30 174.43 1brb s LEU 68 N 1.35 3.01 -0.06 2.53 1.02 -0.04 -1.08 118.68 125.40 1brb s LEU 68 Ca 0.03 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1brb s LEU 68 Cb -0.15 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.28 1brb s LEU 68 CO -0.08 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.12 1brb n GLY 69 N 1.05 0.38 3.81 -3.19 0.00 -1.26 -1.04 105.19 104.93 1brb n GLY 69 Ca -0.14 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 1brb n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1brb s GLU 70 N -3.26 4.28 0.06 1.61 0.41 -1.26 -4.06 118.70 116.48 1brb s GLU 70 Ca 0.00 0.84 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 1brb s GLU 70 Cb 0.00 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1brb s GLU 70 CO 0.00 0.55 0.00 1.58 -0.49 0.00 0.00 175.26 176.90 1brb n HIS 71 N 1.38 -0.14 -3.68 1.61 -0.00 -1.26 -4.87 115.22 108.25 1brb n HIS 71 Ca -0.07 0.02 -0.39 0.00 -0.00 0.00 0.00 57.72 57.29 1brb n HIS 71 Cb 0.50 0.05 -0.12 0.00 -0.00 0.00 0.00 29.99 30.43 1brb n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1brb s ASN 72 N -5.48 5.48 0.40 0.26 3.04 -1.26 -2.34 114.94 115.03 1brb s ASN 72 Ca 0.00 -1.00 0.29 0.00 0.04 0.00 0.00 52.86 52.19 1brb s ASN 72 Cb 0.00 -1.94 1.27 0.00 -1.54 0.00 0.00 41.25 39.04 1brb s ASN 72 CO 0.00 -0.33 1.86 -0.29 -3.04 0.00 0.00 177.10 175.30 1brb h ILE 73 N 5.99 0.00 -0.30 -5.21 6.09 -1.56 -2.95 117.51 119.56 1brb h ILE 73 Ca -0.26 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1brb h ILE 73 Cb 1.10 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1brb h ILE 73 CO 0.63 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.30 1brb n ASN 74 N -2.60 2.88 -3.95 2.19 3.02 -1.26 -4.95 115.26 110.59 1brb n ASN 74 Ca 0.01 -1.86 -0.19 0.00 -0.03 0.00 0.00 54.58 52.51 1brb n ASN 74 Cb 0.21 -0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 39.04 1brb n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1brb s VAL 75 N -1.11 0.58 -0.32 2.41 1.01 -1.12 -5.10 120.40 116.76 1brb s VAL 75 Ca 0.26 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1brb s VAL 75 Cb 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1brb s VAL 75 CO 0.21 0.20 1.26 -0.22 0.00 0.00 0.00 175.10 176.55 1brb s LEU 76 N 0.36 3.86 0.09 3.92 2.96 -1.26 -4.79 118.68 123.81 1brb s LEU 76 Ca -0.05 1.12 0.22 0.00 -0.22 0.00 0.00 54.13 55.20 1brb s LEU 76 Cb -0.09 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.89 1brb s LEU 76 CO 0.00 -1.08 0.77 -0.62 -1.32 0.00 0.00 176.35 174.10 1brb n GLU 77 N 7.31 0.62 -0.28 1.98 1.02 -1.26 -4.99 120.64 125.04 1brb n GLU 77 Ca 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1brb n GLU 77 Cb 0.47 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1brb n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brb n GLY 78 N 1.22 0.71 0.34 0.62 0.00 -1.26 -4.93 105.19 101.89 1brb n GLY 78 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1brb n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1brb n ASN 79 N 0.00 1.59 -4.87 1.61 3.02 -1.26 -5.03 115.26 110.32 1brb n ASN 79 Ca 0.00 -1.30 -0.31 0.00 -0.03 0.00 0.00 54.58 52.95 1brb n ASN 79 Cb 0.00 0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1brb n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1brb s GLU 80 N -2.06 3.84 -0.04 3.52 8.01 -1.26 -4.64 118.70 126.07 1brb s GLU 80 Ca 0.13 0.55 0.05 0.00 0.01 0.00 0.00 54.97 55.71 1brb s GLU 80 Cb 0.14 -2.38 -0.01 0.00 -4.31 0.00 0.00 34.13 27.57 1brb s GLU 80 CO 0.46 -0.01 -0.19 -0.65 0.01 0.00 0.00 175.26 174.87 1brb s GLN 81 N -3.68 1.95 -0.17 1.61 -0.21 -0.20 -4.98 119.66 113.97 1brb s GLN 81 Ca 0.52 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 55.22 1brb s GLN 81 Cb -0.10 -1.70 0.02 0.00 1.00 0.00 0.00 33.01 32.23 1brb s GLN 81 CO 0.28 0.30 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.50 1brb s PHE 82 N -0.07 2.68 -0.03 0.91 0.40 -1.26 -0.86 117.98 119.75 1brb s PHE 82 Ca -0.02 -1.55 0.02 0.00 -0.60 0.00 0.00 56.93 54.77 1brb s PHE 82 Cb -0.12 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.56 1brb s PHE 82 CO 0.02 -0.76 -0.05 0.08 0.70 0.00 0.00 175.22 175.20 1brb s VAL 83 N 1.24 0.53 0.42 -0.44 1.01 -0.22 -4.98 120.40 117.97 1brb s VAL 83 Ca 0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1brb s VAL 83 Cb -0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 36.38 35.62 1brb s VAL 83 CO -0.11 0.20 0.94 0.20 0.00 0.00 0.00 175.10 176.33 1brb s ASN 84 N 0.48 6.95 -0.19 3.32 -0.87 -1.26 -0.25 114.94 123.13 1brb s ASN 84 Ca -0.06 1.69 -0.29 0.00 -1.57 0.00 0.00 52.86 52.62 1brb s ASN 84 Cb -0.10 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1brb s ASN 84 CO 0.00 -0.34 1.13 0.00 -2.57 0.00 0.00 177.10 175.32 1brb s ALA 85 N -2.15 3.65 -0.00 0.60 0.00 -0.37 -1.09 121.76 122.40 1brb s ALA 85 Ca 0.61 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1brb s ALA 85 Cb -0.09 -3.57 -0.33 0.00 0.00 0.00 0.00 23.12 19.13 1brb s ALA 85 CO 0.14 -1.05 0.86 0.00 0.00 0.00 0.00 175.76 175.70 1brb h ALA 86 N 7.72 0.01 -3.81 0.00 0.00 -0.32 -3.45 119.26 119.41 1brb h ALA 86 Ca -0.24 -1.00 -0.30 0.00 0.00 0.00 0.00 54.91 53.38 1brb h ALA 86 Cb 1.09 0.29 -0.28 0.00 0.00 0.00 0.00 17.79 18.89 1brb h ALA 86 CO 0.96 0.87 -0.74 0.15 0.00 0.00 0.00 179.25 180.49 1brb s LYS 87 N -2.60 0.32 -0.11 0.00 1.02 -0.97 -4.96 119.74 112.45 1brb s LYS 87 Ca -0.12 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1brb s LYS 87 Cb 0.05 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1brb s LYS 87 CO 0.90 0.08 -0.10 0.42 -0.92 0.00 0.00 175.35 175.73 1brb s ILE 88 N -0.18 1.17 -0.24 2.17 1.01 -1.26 -0.39 121.20 123.49 1brb s ILE 88 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1brb s ILE 88 Cb -0.02 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.38 1brb s ILE 88 CO -0.00 0.38 -0.04 -0.63 0.00 0.00 0.00 174.94 174.65 1brb s ILE 89 N 1.40 1.49 0.47 2.92 1.01 -0.01 -4.99 121.20 123.49 1brb s ILE 89 Ca 0.00 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.23 1brb s ILE 89 Cb -0.13 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.46 1brb s ILE 89 CO -0.06 -0.14 0.97 -0.54 0.00 0.00 0.00 174.94 175.17 1brb s LYS 90 N 1.41 4.08 0.30 2.79 1.02 -1.26 -0.93 119.74 127.14 1brb s LYS 90 Ca -0.05 1.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.68 1brb s LYS 90 Cb -0.19 -2.16 -0.13 0.00 -0.52 0.00 0.00 37.83 34.84 1brb s LYS 90 CO -0.07 -0.15 1.38 1.58 -0.92 0.00 0.00 175.35 177.17 1brb n HIS 91 N -1.13 2.34 0.29 3.18 -0.00 -0.58 -4.85 115.22 114.48 1brb n HIS 91 Ca 0.07 0.46 0.16 0.00 -0.00 0.00 0.00 57.72 58.41 1brb n HIS 91 Cb 0.54 -2.46 0.75 0.00 -0.00 0.00 0.00 29.99 28.82 1brb n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1brb h PRO 92 N 3.49 0.00 -0.23 1.57 0.13 -1.92 -2.01 132.00 133.04 1brb h PRO 92 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1brb h PRO 92 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1brb h PRO 92 CO 0.70 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.53 1brb n ASN 93 N -2.65 3.24 -4.73 1.44 5.03 -1.26 -4.99 115.26 111.34 1brb n ASN 93 Ca -0.00 -3.22 -0.42 0.00 0.87 0.00 0.00 54.58 51.81 1brb n ASN 93 Cb 0.15 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.34 1brb n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1brb s PHE 94 N -2.94 3.02 -0.23 3.10 5.36 -0.76 -4.66 117.98 120.87 1brb s PHE 94 Ca 0.41 0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 57.08 1brb s PHE 94 Cb 0.34 -3.91 -0.02 0.00 -0.34 0.00 0.00 43.02 39.09 1brb s PHE 94 CO 0.05 -3.22 0.01 0.34 -1.46 0.00 0.00 175.22 170.94 1brb s ASP 95 N 0.84 4.73 0.54 6.13 -1.08 -0.90 -5.01 116.67 121.92 1brb s ASP 95 Ca 0.66 -0.29 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 1brb s ASP 95 Cb -0.44 -1.83 1.48 0.00 -1.46 0.00 0.00 42.92 40.67 1brb s ASP 95 CO 0.36 -0.02 2.05 0.03 0.52 0.00 0.00 175.17 178.11 1brb h ARG 96 N 8.13 0.00 0.00 4.34 3.08 -1.94 -0.72 114.38 127.27 1brb h ARG 96 Ca -0.40 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.27 1brb h ARG 96 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 1brb h ARG 96 CO 0.59 0.09 -2.43 1.63 -1.07 0.00 0.00 179.97 178.77 1brb n LYS 97 N -3.35 0.67 0.02 0.04 5.02 -1.26 -4.59 118.16 114.70 1brb n LYS 97 Ca -0.01 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1brb n LYS 97 Cb 0.27 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1brb n LYS 97 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1brb n THR 98 N -3.03 0.12 -1.66 -0.18 -2.24 -1.22 -4.96 114.28 101.11 1brb n THR 98 Ca -0.40 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1brb n THR 98 Cb 1.07 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1brb n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1brb n LEU 99 N -2.10 -1.09 -4.73 3.22 4.77 -0.28 -4.99 117.00 111.80 1brb n LEU 99 Ca -0.00 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1brb n LEU 99 Cb 0.49 -1.82 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1brb n LEU 99 CO 0.43 -0.43 0.89 0.21 -1.33 0.00 0.00 177.39 177.17 1brb s ASN 100 N -2.73 7.07 -0.92 -1.43 2.47 -1.25 -3.39 114.94 114.76 1brb s ASN 100 Ca 0.00 2.18 -0.03 0.00 0.42 0.00 0.00 52.86 55.43 1brb s ASN 100 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1brb s ASN 100 CO 0.00 -0.42 0.78 0.59 -3.72 0.00 0.00 177.10 174.34 1brb n ASN 101 N 2.98 -3.36 -4.48 -4.21 5.03 -1.26 -2.13 115.26 107.83 1brb n ASN 101 Ca 0.06 -0.42 -0.44 0.00 0.87 0.00 0.00 54.58 54.65 1brb n ASN 101 Cb 0.45 -3.82 -0.00 0.00 -1.02 0.00 0.00 39.78 35.38 1brb n ASN 101 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1brb s ASP 102 N -3.67 6.98 -0.07 6.41 2.15 -1.22 -4.29 116.67 122.97 1brb s ASP 102 Ca 0.18 -2.79 -0.13 0.00 0.43 0.00 0.00 52.55 50.24 1brb s ASP 102 Cb -0.08 -2.43 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1brb s ASP 102 CO 0.53 -0.86 0.33 -0.51 -0.17 0.00 0.00 175.17 174.49 1brb s ILE 103 N 2.15 0.03 -0.08 4.11 2.07 -1.26 -4.01 121.20 124.20 1brb s ILE 103 Ca 0.43 -0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.35 1brb s ILE 103 Cb -0.02 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.04 1brb s ILE 103 CO 0.00 -0.13 0.24 -0.32 -1.91 0.00 0.00 174.94 172.82 1brb s MET 104 N -0.57 0.31 -0.05 3.50 -2.45 0.01 -1.52 119.30 118.53 1brb s MET 104 Ca -0.07 0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.67 1brb s MET 104 Cb -0.04 0.15 -0.03 0.00 1.25 0.00 0.00 34.83 36.16 1brb s MET 104 CO 0.02 -0.04 -0.04 -0.51 1.05 0.00 0.00 175.02 175.50 1brb s LEU 105 N 0.01 3.33 -0.11 4.11 1.43 -0.11 -0.59 118.68 126.74 1brb s LEU 105 Ca -0.01 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1brb s LEU 105 Cb -0.02 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1brb s LEU 105 CO 0.01 0.34 -0.16 -0.63 0.23 0.00 0.00 176.35 176.14 1brb s ILE 106 N -0.91 1.57 -0.21 -0.59 1.01 0.70 -0.83 121.20 121.94 1brb s ILE 106 Ca 0.15 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 1brb s ILE 106 Cb -0.11 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1brb s ILE 106 CO 0.04 0.45 0.32 -0.75 0.00 0.00 0.00 174.94 175.01 1brb s LYS 107 N 1.00 4.15 0.43 2.79 2.20 0.48 -1.09 119.74 129.71 1brb s LYS 107 Ca -0.06 0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.38 1brb s LYS 107 Cb -0.15 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1brb s LYS 107 CO -0.02 0.01 1.07 -0.51 -0.36 0.00 0.00 175.35 175.54 1brb s LEU 108 N 1.17 4.04 0.42 5.43 1.02 0.03 0.35 118.68 131.14 1brb s LEU 108 Ca 0.15 2.07 0.11 0.00 0.02 0.00 0.00 54.13 56.48 1brb s LEU 108 Cb -0.14 -4.29 0.94 0.00 0.02 0.00 0.00 46.19 42.73 1brb s LEU 108 CO 0.07 -0.66 2.00 0.28 0.02 0.00 0.00 176.35 178.06 1brb h SER 109 N 2.17 0.43 -5.12 2.29 0.02 -1.42 -3.40 113.55 108.52 1brb h SER 109 Ca -0.49 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1brb h SER 109 Cb 1.22 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 1brb h SER 109 CO 0.61 0.28 -0.58 -0.94 -1.14 0.00 0.00 176.83 175.06 1brb s SER 110 N -6.38 0.27 0.55 3.07 1.04 -1.26 -4.98 113.70 106.01 1brb s SER 110 Ca -0.08 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 55.49 1brb s SER 110 Cb 0.19 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1brb s SER 110 CO 0.75 -0.53 1.16 -2.16 0.98 0.00 0.00 173.24 173.44 1brb s PRO 111 N -2.93 3.26 0.68 4.02 0.04 -1.26 -4.86 135.00 133.93 1brb s PRO 111 Ca -0.02 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1brb s PRO 111 Cb 0.01 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1brb s PRO 111 CO -0.06 -0.95 0.99 0.14 0.04 0.00 0.00 177.00 177.16 1brb s VAL 112 N -1.70 2.59 -0.54 -0.36 -7.23 0.02 -5.00 120.40 108.18 1brb s VAL 112 Ca 0.74 -0.21 -0.19 0.00 -1.81 0.00 0.00 61.98 60.51 1brb s VAL 112 Cb -0.26 -3.10 0.08 0.00 0.56 0.00 0.00 36.38 33.66 1brb s VAL 112 CO 0.29 -0.11 0.65 -0.75 -0.31 0.00 0.00 175.10 174.87 1brb s LYS 113 N -5.18 3.08 0.33 4.82 2.36 -1.26 -4.93 119.74 118.96 1brb s LYS 113 Ca 0.59 -1.11 -0.28 0.00 -2.55 0.00 0.00 55.97 52.62 1brb s LYS 113 Cb -0.11 -4.18 -0.10 0.00 -1.05 0.00 0.00 37.83 32.40 1brb s LYS 113 CO 0.45 -1.35 1.21 -0.51 1.55 0.00 0.00 175.35 176.69 1brb s LEU 114 N 2.59 4.41 0.00 5.43 1.43 -1.26 -4.82 118.68 126.45 1brb s LEU 114 Ca 0.13 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1brb s LEU 114 Cb -0.22 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1brb s LEU 114 CO 0.09 -0.45 0.00 -0.46 0.23 0.00 0.00 176.35 175.76 1brb n ASN 115 N 0.73 0.00 -0.24 2.29 0.23 -0.38 -4.97 115.26 112.92 1brb n ASN 115 Ca 0.01 -0.35 -0.03 0.00 -0.53 0.00 0.00 54.58 53.68 1brb n ASN 115 Cb 0.44 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.17 1brb n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1brb h ALA 116 N 2.00 0.11 0.00 -2.53 0.00 -2.01 -3.03 119.26 113.81 1brb h ALA 116 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1brb h ALA 116 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1brb h ALA 116 CO 0.00 -0.61 -0.86 0.54 0.00 0.00 0.00 179.25 178.32 1brb n ARG 117 N -5.46 0.30 -3.96 0.00 5.12 -1.26 -4.78 116.66 106.62 1brb n ARG 117 Ca 0.07 0.03 -0.31 0.00 -1.93 0.00 0.00 57.85 55.71 1brb n ARG 117 Cb 0.37 -1.63 -0.15 0.00 -1.16 0.00 0.00 32.46 29.88 1brb n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1brb s VAL 118 N -3.19 1.64 0.13 1.55 1.01 -1.14 -4.34 120.40 116.06 1brb s VAL 118 Ca 0.05 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1brb s VAL 118 Cb 0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1brb s VAL 118 CO 0.77 -0.14 0.20 0.00 0.00 0.00 0.00 175.10 175.93 1brb s ALA 119 N 1.33 0.08 0.44 5.51 0.00 -0.57 -1.25 121.76 127.31 1brb s ALA 119 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.93 1brb s ALA 119 Cb -0.19 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1brb s ALA 119 CO -0.07 -0.56 0.78 0.99 0.00 0.00 0.00 175.76 176.90 1brb s THR 120 N -3.94 4.84 -0.03 0.00 2.01 -1.26 -2.94 115.64 114.32 1brb s THR 120 Ca 0.13 0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.64 1brb s THR 120 Cb 0.05 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1brb s THR 120 CO -0.04 -0.67 -0.23 0.54 -0.69 0.00 0.00 174.62 173.52 1brb s VAL 121 N -2.54 2.26 0.41 3.82 0.11 -0.62 -4.80 120.40 119.03 1brb s VAL 121 Ca 0.50 -1.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.28 1brb s VAL 121 Cb -0.10 -1.81 -0.09 0.00 -1.53 0.00 0.00 36.38 32.85 1brb s VAL 121 CO 0.38 0.58 1.08 0.00 -3.33 0.00 0.00 175.10 173.81 1brb s ALA 122 N -0.54 3.07 0.56 1.54 0.00 -1.26 -4.63 121.76 120.51 1brb s ALA 122 Ca 0.08 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1brb s ALA 122 Cb -0.11 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1brb s ALA 122 CO 0.00 -0.33 0.99 -0.51 0.00 0.00 0.00 175.76 175.91 1brb s LEU 123 N -2.70 3.45 0.42 0.00 1.43 -1.26 -0.84 118.68 119.18 1brb s LEU 123 Ca 0.59 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 1brb s LEU 123 Cb -0.24 -4.44 -0.09 0.00 0.03 0.00 0.00 46.19 41.45 1brb s LEU 123 CO 0.30 -0.71 1.04 -2.16 0.23 0.00 0.00 176.35 175.05 1brb s PRO 124 N -4.61 4.08 0.18 1.29 0.04 -1.26 -4.74 135.00 129.98 1brb s PRO 124 Ca 0.56 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1brb s PRO 124 Cb -0.10 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1brb s PRO 124 CO 0.43 -0.21 1.43 0.77 0.04 0.00 0.00 177.00 179.46 1brb h SER 125 N 2.23 0.42 -5.22 6.66 0.02 -1.95 -3.48 113.55 112.23 1brb h SER 125 Ca -0.49 -0.29 0.10 0.00 -0.84 0.00 0.00 61.79 60.27 1brb h SER 125 Cb 1.21 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1brb h SER 125 CO 0.61 1.03 0.43 -0.94 -1.14 0.00 0.00 176.83 176.82 1brb s SER 127 N -6.96 -0.05 0.05 3.07 1.04 -1.26 -5.14 113.70 104.45 1brb s SER 127 Ca -0.05 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 1brb s SER 127 Cb 0.10 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 1brb s SER 127 CO 0.83 -1.25 1.01 0.00 0.98 0.00 0.00 173.24 174.82 1brb s ALA 129 N 0.61 3.46 0.63 0.00 0.00 -1.26 -5.03 121.76 120.17 1brb s ALA 129 Ca 0.51 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1brb s ALA 129 Cb -0.23 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1brb s ALA 129 CO 0.29 -0.39 1.04 -1.25 0.00 0.00 0.00 175.76 175.45 1brb s PRO 130 N -1.01 3.33 0.45 0.00 0.04 -1.26 -4.97 135.00 131.58 1brb s PRO 130 Ca 0.50 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1brb s PRO 130 Cb -0.35 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1brb s PRO 130 CO 0.42 -0.78 1.15 0.00 0.04 0.00 0.00 177.00 177.83 1brb n ALA 132 N -2.66 0.81 0.00 8.56 0.00 -1.26 -2.02 120.51 123.93 1brb n ALA 132 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1brb n ALA 132 Cb 0.54 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1brb n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1brb n GLY 133 N 0.99 1.44 3.73 0.00 0.00 0.38 -4.98 105.19 106.75 1brb n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1brb n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1brb s THR 134 N -2.32 3.41 0.31 2.61 2.01 -0.86 -4.75 115.64 116.04 1brb s THR 134 Ca 0.00 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.82 1brb s THR 134 Cb 0.00 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 1brb s THR 134 CO 0.00 0.13 1.03 -1.10 -0.69 0.00 0.00 174.62 174.00 1brb s GLN 135 N 0.37 4.55 0.08 4.92 -1.52 -1.26 -1.31 119.66 125.49 1brb s GLN 135 Ca 0.59 1.60 0.02 0.00 -1.95 0.00 0.00 55.36 55.62 1brb s GLN 135 Cb -0.35 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.42 1brb s GLN 135 CO 0.34 0.19 -0.08 0.00 -0.25 0.00 0.00 175.29 175.49 1brb s LEU 137 N -2.43 3.23 -0.01 0.00 2.96 0.08 -1.04 118.68 121.46 1brb s LEU 137 Ca 0.03 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1brb s LEU 137 Cb -0.02 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1brb s LEU 137 CO -0.02 0.01 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.30 1brb s ILE 138 N 1.31 3.45 0.03 6.68 1.09 0.13 -1.80 121.20 132.10 1brb s ILE 138 Ca 0.04 -0.76 -0.02 0.00 -1.10 0.00 0.00 60.65 58.81 1brb s ILE 138 Cb -0.15 -2.46 -0.02 0.00 -1.06 0.00 0.00 42.46 38.78 1brb s ILE 138 CO 0.01 0.46 0.01 -0.94 -0.10 0.00 0.00 174.94 174.38 1brb s SER 139 N -1.19 0.29 0.00 3.58 1.04 -1.23 -0.58 113.70 115.61 1brb s SER 139 Ca 0.15 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1brb s SER 139 Cb -0.11 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1brb s SER 139 CO 0.05 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1brb n GLY 140 N 0.89 0.83 1.80 7.32 0.00 -0.72 -4.47 105.19 110.84 1brb n GLY 140 Ca -0.19 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1brb n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1brb n TRP 141 N -0.26 2.24 -1.85 1.61 8.01 -1.26 -1.70 117.44 124.24 1brb n TRP 141 Ca 0.00 -1.50 -0.30 0.00 -1.31 0.00 0.00 57.50 54.39 1brb n TRP 141 Cb 0.00 -0.71 0.20 0.00 -2.01 0.00 0.00 31.31 28.79 1brb n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1brb s GLY 142 N -1.55 1.77 0.33 6.99 0.00 -1.25 -4.37 107.32 109.25 1brb s GLY 142 Ca 0.52 -1.22 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 1brb s GLY 142 CO 0.09 -0.41 1.27 -2.01 0.00 0.00 0.00 173.10 172.03 1brb n ASN 143 N -3.90 2.61 -0.25 1.64 5.15 0.69 -3.33 115.26 117.87 1brb n ASN 143 Ca 0.16 1.20 0.11 0.00 -0.60 0.00 0.00 54.58 55.45 1brb n ASN 143 Cb 0.59 -1.46 0.11 0.00 -0.53 0.00 0.00 39.78 38.49 1brb n ASN 143 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1brb n THR 144 N 0.43 0.00 -5.07 -0.44 -1.04 -0.81 -1.43 114.28 105.92 1brb n THR 144 Ca 0.06 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.63 1brb n THR 144 Cb 0.35 0.83 -0.15 0.00 -1.82 0.00 0.00 70.33 69.54 1brb n THR 144 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1brb s LEU 145 N -2.67 2.14 0.30 -4.42 1.43 -1.26 -4.23 118.68 109.96 1brb s LEU 145 Ca 0.17 -0.53 0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1brb s LEU 145 Cb 0.18 -1.32 0.12 0.00 0.03 0.00 0.00 46.19 45.20 1brb s LEU 145 CO 0.64 0.29 1.47 -1.28 0.23 0.00 0.00 176.35 177.70 1brb h SER 146 N 5.08 0.00 -3.29 2.29 0.87 -1.92 -3.42 113.55 113.15 1brb h SER 146 Ca -0.45 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 59.72 1brb h SER 146 Cb 1.13 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.70 1brb h SER 146 CO 0.45 0.46 -0.75 -0.44 -0.53 0.00 0.00 176.83 176.02 1brb s SER 147 N -6.44 1.28 0.00 6.23 0.01 -1.26 -4.65 113.70 108.87 1brb s SER 147 Ca 0.04 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1brb s SER 147 Cb 0.08 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1brb s SER 147 CO 0.74 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1brb n GLY 148 N 5.27 0.78 3.09 3.44 0.00 -1.26 -5.03 105.19 111.48 1brb n GLY 148 Ca -0.04 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 1brb n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1brb s VAL 149 N -1.26 1.02 -0.30 1.61 1.01 -1.26 -4.61 120.40 116.61 1brb s VAL 149 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1brb s VAL 149 Cb 0.00 -0.86 0.20 0.00 0.00 0.00 0.00 36.38 35.71 1brb s VAL 149 CO 0.00 0.23 0.65 0.21 0.00 0.00 0.00 175.10 176.19 1brb s ASN 150 N -0.45 -1.47 -0.08 3.32 3.04 -1.26 -4.97 114.94 113.07 1brb s ASN 150 Ca 0.04 0.10 -0.21 0.00 0.04 0.00 0.00 52.86 52.83 1brb s ASN 150 Cb -0.05 1.92 -0.04 0.00 -1.54 0.00 0.00 41.25 41.54 1brb s ASN 150 CO -0.00 -0.26 0.60 -1.61 -3.04 0.00 0.00 177.10 172.79 1brb s GLU 151 N 2.77 4.39 0.55 0.43 2.02 -1.26 -1.93 118.70 125.67 1brb s GLU 151 Ca 0.13 0.70 -0.15 0.00 0.02 0.00 0.00 54.97 55.66 1brb s GLU 151 Cb -0.08 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.65 1brb s GLU 151 CO -0.24 0.13 1.01 -1.25 0.02 0.00 0.00 175.26 174.92 1brb s PRO 152 N 0.65 3.76 0.06 0.39 0.04 -1.26 -4.96 135.00 133.68 1brb s PRO 152 Ca 0.32 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1brb s PRO 152 Cb -0.17 -2.11 -0.26 0.00 0.04 0.00 0.00 34.50 32.01 1brb s PRO 152 CO 0.15 -0.43 1.07 -0.44 0.04 0.00 0.00 177.00 177.39 1brb h ASP 153 N 0.59 0.25 -3.04 6.66 3.32 -1.94 -3.48 116.42 118.78 1brb h ASP 153 Ca -0.46 -0.30 -0.64 0.00 0.02 0.00 0.00 57.03 55.64 1brb h ASP 153 Cb 1.19 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.58 1brb h ASP 153 CO 0.61 1.24 -0.56 -0.76 -1.72 0.00 0.00 179.24 178.06 1brb s LEU 154 N -6.88 4.03 0.20 1.55 1.43 -1.26 -1.33 118.68 116.42 1brb s LEU 154 Ca -0.04 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 1brb s LEU 154 Cb 0.08 -2.51 -0.10 0.00 0.03 0.00 0.00 46.19 43.68 1brb s LEU 154 CO 0.85 0.23 1.57 -0.22 0.23 0.00 0.00 176.35 179.01 1brb s LEU 155 N -2.09 4.37 0.11 1.79 2.96 -0.99 -4.85 118.68 119.99 1brb s LEU 155 Ca 0.27 2.70 0.02 0.00 -0.22 0.00 0.00 54.13 56.90 1brb s LEU 155 Cb -0.12 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1brb s LEU 155 CO 0.19 -0.83 0.22 -1.10 -1.32 0.00 0.00 176.35 173.51 1brb s GLN 156 N 0.72 3.31 0.11 1.98 -1.52 -0.69 -0.89 119.66 122.68 1brb s GLN 156 Ca 0.68 -0.59 0.05 0.00 -1.95 0.00 0.00 55.36 53.55 1brb s GLN 156 Cb -0.45 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.38 1brb s GLN 156 CO 0.35 0.55 -0.12 0.00 -0.25 0.00 0.00 175.29 175.82 1brb s LEU 158 N -2.41 0.57 -0.22 0.00 2.96 0.25 -1.12 118.68 118.72 1brb s LEU 158 Ca 0.07 0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 1brb s LEU 158 Cb -0.04 1.24 -0.03 0.00 0.50 0.00 0.00 46.19 47.86 1brb s LEU 158 CO 0.02 -0.13 0.04 -1.81 -1.32 0.00 0.00 176.35 173.15 1brb s ASP 159 N 0.27 5.14 0.03 3.68 1.01 -1.26 -0.69 116.67 124.84 1brb s ASP 159 Ca -0.01 -0.14 -0.17 0.00 0.71 0.00 0.00 52.55 52.95 1brb s ASP 159 Cb -0.03 -1.90 0.03 0.00 1.01 0.00 0.00 42.92 42.03 1brb s ASP 159 CO -0.00 0.05 0.38 0.00 0.21 0.00 0.00 175.17 175.80 1brb s ALA 160 N 1.10 -0.91 0.17 5.23 0.00 -0.21 -4.94 121.76 122.20 1brb s ALA 160 Ca 0.04 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 1brb s ALA 160 Cb -0.14 0.29 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 1brb s ALA 160 CO 0.03 -0.41 0.52 -1.25 0.00 0.00 0.00 175.76 174.64 1brb s PRO 161 N -2.28 3.84 0.16 0.00 0.04 -1.26 -0.93 135.00 134.57 1brb s PRO 161 Ca -0.07 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 60.97 1brb s PRO 161 Cb -0.01 -2.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1brb s PRO 161 CO -0.01 0.42 1.44 -0.51 0.04 0.00 0.00 177.00 178.37 1brb s LEU 162 N -2.39 4.38 0.31 -3.56 2.01 -0.43 -2.33 118.68 116.67 1brb s LEU 162 Ca 0.42 2.46 -0.01 0.00 0.01 0.00 0.00 54.13 57.01 1brb s LEU 162 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.44 1brb s LEU 162 CO 0.20 -0.69 0.52 -0.76 1.01 0.00 0.00 176.35 176.63 1brb s LEU 163 N 0.78 4.06 0.52 1.79 1.43 -0.24 -0.47 118.68 126.55 1brb s LEU 163 Ca 0.65 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.04 1brb s LEU 163 Cb -0.39 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1brb s LEU 163 CO 0.33 -0.23 1.24 -2.16 0.23 0.00 0.00 176.35 175.76 1brb s PRO 164 N -3.97 3.37 0.35 1.29 0.04 -1.26 -4.62 135.00 130.20 1brb s PRO 164 Ca 0.41 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1brb s PRO 164 Cb -0.10 -2.25 0.77 0.00 0.04 0.00 0.00 34.50 32.96 1brb s PRO 164 CO 0.33 -0.92 1.90 0.37 0.04 0.00 0.00 177.00 178.73 1brb h GLN 165 N 1.59 0.72 -0.70 4.56 4.15 -1.97 -1.88 115.11 121.59 1brb h GLN 165 Ca -0.50 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.86 1brb h GLN 165 Cb 1.28 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1brb h GLN 165 CO 0.58 0.48 0.37 0.00 -1.93 0.00 0.00 178.83 178.33 1brb h ALA 166 N 1.59 1.35 -0.10 3.38 0.00 -1.99 -0.49 119.26 123.00 1brb h ALA 166 Ca 0.40 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1brb h ALA 166 Cb 0.54 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1brb h ALA 166 CO -0.17 0.53 -0.69 -0.44 0.00 0.00 0.00 179.25 178.48 1brb h ASP 167 N 0.97 0.53 -0.19 0.00 5.19 -1.73 -0.91 116.42 120.28 1brb h ASP 167 Ca 0.25 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1brb h ASP 167 Cb 0.03 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1brb h ASP 167 CO -0.04 1.06 0.11 0.00 -3.12 0.00 0.00 179.24 177.25 1brb h GLU 169 N 0.22 0.67 -0.14 0.00 5.08 -1.03 -2.33 114.58 117.05 1brb h GLU 169 Ca 0.07 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1brb h GLU 169 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1brb h GLU 169 CO -0.01 0.73 -0.06 0.00 -1.00 0.00 0.00 179.01 178.67 1brb h ALA 170 N 0.91 1.65 -0.09 3.43 0.00 -0.97 -1.41 119.26 122.78 1brb h ALA 170 Ca 0.12 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1brb h ALA 170 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1brb h ALA 170 CO 0.01 0.26 -0.68 0.77 0.00 0.00 0.00 179.25 179.61 1brb h SER 171 N 0.20 0.46 -2.12 0.00 0.02 -0.92 -3.38 113.55 107.81 1brb h SER 171 Ca 0.04 -0.29 -0.56 0.00 -0.84 0.00 0.00 61.79 60.15 1brb h SER 171 Cb 0.24 -0.14 -0.41 0.00 0.14 0.00 0.00 62.40 62.24 1brb h SER 171 CO 0.01 1.01 -0.89 -1.22 -1.14 0.00 0.00 176.83 174.60 1brb n TYR 172 N -3.86 1.86 -1.67 3.45 4.01 -0.81 -4.93 117.16 115.21 1brb n TYR 172 Ca -0.04 -3.88 -0.59 0.00 -0.16 0.00 0.00 57.90 53.23 1brb n TYR 172 Cb 0.68 -0.45 -0.08 0.00 -0.31 0.00 0.00 39.34 39.18 1brb n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1brb n PRO 173 N 0.54 0.80 0.00 -0.72 -0.02 -0.59 -1.10 135.00 133.90 1brb n PRO 173 Ca 0.27 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1brb n PRO 173 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1brb n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brb n GLY 174 N 3.51 2.74 0.73 -1.23 0.00 -1.26 -4.84 105.19 104.84 1brb n GLY 174 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1brb n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1brb n LYS 175 N -2.00 1.80 -3.53 1.61 4.01 -0.26 -4.93 118.16 114.85 1brb n LYS 175 Ca 0.00 -1.52 -0.38 0.00 -0.51 0.00 0.00 58.31 55.90 1brb n LYS 175 Cb 0.00 -1.41 -0.09 0.00 -0.51 0.00 0.00 35.03 33.02 1brb n LYS 175 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1brb s ILE 176 N -1.93 5.28 0.51 -0.18 -1.09 -1.25 -5.03 121.20 117.50 1brb s ILE 176 Ca 0.22 0.36 0.08 0.00 -2.23 0.00 0.00 60.65 59.09 1brb s ILE 176 Cb 0.17 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1brb s ILE 176 CO 0.34 0.26 0.62 0.42 -1.23 0.00 0.00 174.94 175.35 1brb s THR 177 N 1.51 2.36 -1.42 2.92 -4.23 -1.26 -4.98 115.64 110.54 1brb s THR 177 Ca 0.11 -1.12 0.14 0.00 -1.18 0.00 0.00 61.69 59.63 1brb s THR 177 Cb -0.15 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.44 1brb s THR 177 CO 0.08 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 174.62 1brb n ASP 178 N -1.97 0.00 -1.67 3.99 5.68 -1.26 -1.89 116.55 119.43 1brb n ASP 178 Ca 0.09 0.10 0.08 0.00 -0.50 0.00 0.00 54.79 54.56 1brb n ASP 178 Cb 0.61 -0.29 0.37 0.00 -1.14 0.00 0.00 41.12 40.68 1brb n ASP 178 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1brb n ASN 179 N -1.29 5.26 -4.19 -1.12 3.02 -1.26 -4.92 115.26 110.76 1brb n ASN 179 Ca 0.06 -2.85 -0.18 0.00 -0.03 0.00 0.00 54.58 51.58 1brb n ASN 179 Cb 0.11 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.52 1brb n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1brb s MET 180 N -2.60 0.88 -0.00 3.52 -1.94 -0.79 -1.55 119.30 116.81 1brb s MET 180 Ca 0.52 -1.04 -0.02 0.00 -1.71 0.00 0.00 55.69 53.43 1brb s MET 180 Cb 0.39 -0.83 -0.01 0.00 2.01 0.00 0.00 34.83 36.39 1brb s MET 180 CO 0.16 0.17 0.03 0.54 -0.01 0.00 0.00 175.02 175.92 1brb s VAL 181 N -1.58 0.06 -0.07 -6.03 0.11 -0.30 -4.79 120.40 107.79 1brb s VAL 181 Ca 0.01 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.57 1brb s VAL 181 Cb -0.08 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1brb s VAL 181 CO 0.02 -0.25 0.11 0.00 -3.33 0.00 0.00 175.10 171.65 1brb s VAL 183 N -1.09 0.63 -4.86 0.00 1.01 -0.20 -1.08 120.40 114.81 1brb s VAL 183 Ca 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1brb s VAL 183 Cb -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1brb s VAL 183 CO 0.08 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1brb n GLY 184 N 1.67 0.88 2.84 4.51 0.00 -0.98 -1.73 105.19 112.38 1brb n GLY 184 Ca -0.21 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 1brb n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brb s PHE 184 N -3.24 1.02 -1.18 1.61 0.08 -1.26 -4.28 117.98 110.73 1brb s PHE 184 Ca 0.00 -0.40 0.11 0.00 0.12 0.00 0.00 56.93 56.76 1brb s PHE 184 Cb 0.00 -0.96 0.51 0.00 -0.57 0.00 0.00 43.02 42.00 1brb s PHE 184 CO 0.00 -0.38 1.31 1.28 -0.10 0.00 0.00 175.22 177.33 1brb n LEU 185 N 4.90 0.00 -1.01 -0.37 4.77 -1.26 -1.78 117.00 122.26 1brb n LEU 185 Ca -0.12 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1brb n LEU 185 Cb 0.50 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 41.44 1brb n LEU 185 CO 0.15 -0.26 0.72 -1.84 -1.33 0.00 0.00 177.39 174.83 1brb n GLU 186 N -1.41 2.30 0.00 3.23 0.00 -1.26 -0.57 120.64 122.92 1brb n GLU 186 Ca 0.04 -1.98 0.00 0.00 0.00 0.00 0.00 57.16 55.22 1brb n GLU 186 Cb 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1brb n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1brb n GLY 187 N 1.41 -1.71 0.27 -1.84 0.00 -0.73 -4.39 105.19 98.18 1brb n GLY 187 Ca 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1brb n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brb n GLY 188 N 0.00 3.13 3.01 -0.02 0.00 0.08 -4.91 105.19 106.48 1brb n GLY 188 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1brb n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brb s LYS 188 N -0.31 0.23 0.00 1.61 1.02 -1.26 -4.15 119.74 116.89 1brb s LYS 188 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1brb s LYS 188 Cb 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1brb s LYS 188 CO 0.00 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1brb n GLY 189 N 2.45 1.35 3.90 -3.33 0.00 -0.58 -4.49 105.19 104.49 1brb n GLY 189 Ca -0.16 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1brb n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1brb s SER 190 N 0.00 5.64 0.27 1.61 1.04 -1.26 -0.41 113.70 120.59 1brb s SER 190 Ca 0.00 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.35 1brb s SER 190 Cb 0.00 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.24 1brb s SER 190 CO 0.00 -1.11 0.38 0.00 0.98 0.00 0.00 173.24 173.49 1brb n GLN 192 N -0.44 2.28 0.00 0.00 3.00 -1.26 -1.60 117.38 119.36 1brb n GLN 192 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1brb n GLN 192 Cb 0.45 -2.67 0.00 0.00 0.00 0.00 0.00 30.24 28.02 1brb n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1brb n GLY 193 N 4.10 1.76 0.08 1.08 0.00 -1.26 -0.22 105.19 110.73 1brb n GLY 193 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1brb n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1brb n ASP 194 N 0.00 0.57 -4.39 1.61 8.00 -0.63 -3.78 116.55 117.93 1brb n ASP 194 Ca 0.00 0.20 -0.44 0.00 0.71 0.00 0.00 54.79 55.26 1brb n ASP 194 Cb 0.00 0.94 -0.01 0.00 -0.02 0.00 0.00 41.12 42.03 1brb n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1brb n SER 195 N -2.51 -1.51 0.00 -2.24 7.64 -1.26 -2.10 113.62 111.63 1brb n SER 195 Ca -0.01 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1brb n SER 195 Cb 0.55 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1brb n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1brb n GLY 196 N 2.00 2.81 3.76 0.23 0.00 -0.04 -0.06 105.19 113.89 1brb n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1brb n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1brb s GLY 197 N -1.72 1.62 0.34 -0.02 0.00 -0.89 -3.21 107.32 103.43 1brb s GLY 197 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 1brb s GLY 197 CO 0.00 0.31 1.01 2.56 0.00 0.00 0.00 173.10 176.98 1brb s PRO 198 N -5.05 4.46 -0.29 2.90 0.04 -1.26 -1.70 135.00 134.10 1brb s PRO 198 Ca 0.62 1.48 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1brb s PRO 198 Cb -0.16 -2.80 0.08 0.00 0.04 0.00 0.00 34.50 31.66 1brb s PRO 198 CO 0.56 0.13 0.01 0.08 0.04 0.00 0.00 177.00 177.82 1brb s VAL 199 N -1.54 1.65 -0.19 -0.36 1.01 -0.82 -3.53 120.40 116.62 1brb s VAL 199 Ca 0.51 -1.66 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1brb s VAL 199 Cb -0.22 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1brb s VAL 199 CO 0.28 -0.40 0.03 -0.69 0.00 0.00 0.00 175.10 174.32 1brb s VAL 200 N 1.27 4.32 -0.14 2.92 1.01 -0.75 -0.91 120.40 128.11 1brb s VAL 200 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1brb s VAL 200 Cb -0.19 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1brb s VAL 200 CO -0.11 0.43 -0.06 0.00 0.00 0.00 0.00 175.10 175.36 1brb n ASN 202 N 4.90 -4.86 0.00 0.00 0.23 -1.26 -2.58 115.26 111.70 1brb n ASN 202 Ca -0.12 -0.67 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1brb n ASN 202 Cb 0.49 -4.48 0.00 0.00 -2.08 0.00 0.00 39.78 33.70 1brb n ASN 202 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1brb n GLY 203 N -1.77 1.18 3.34 4.83 0.00 -1.26 -5.04 105.19 106.47 1brb n GLY 203 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1brb n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1brb s GLU 204 N -0.28 1.62 -0.52 1.61 2.02 -1.06 -4.00 118.70 118.08 1brb s GLU 204 Ca 0.00 -1.15 -0.28 0.00 0.02 0.00 0.00 54.97 53.56 1brb s GLU 204 Cb 0.00 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.37 1brb s GLU 204 CO 0.00 0.47 1.40 -1.17 0.02 0.00 0.00 175.26 175.99 1brb s LEU 209 N -1.47 3.46 -0.03 1.80 2.96 -0.02 -1.29 118.68 124.08 1brb s LEU 209 Ca 0.12 0.42 0.19 0.00 -0.22 0.00 0.00 54.13 54.63 1brb s LEU 209 Cb -0.10 -3.19 -0.29 0.00 0.50 0.00 0.00 46.19 43.12 1brb s LEU 209 CO 0.03 -1.63 0.39 0.00 -1.32 0.00 0.00 176.35 173.82 1brb n GLN 210 N 8.49 0.60 -4.01 1.98 1.13 -0.09 -4.05 117.38 121.42 1brb n GLN 210 Ca 0.13 -0.16 -0.08 0.00 -1.94 0.00 0.00 57.00 54.95 1brb n GLN 210 Cb 0.49 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 1brb n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1brb s GLY 211 N -4.21 0.45 -0.09 1.08 0.00 -0.85 -1.96 107.32 101.74 1brb s GLY 211 Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1brb s GLY 211 CO 0.77 -1.10 -0.15 -0.42 0.00 0.00 0.00 173.10 172.21 1brb s ILE 212 N -3.93 1.42 0.10 0.90 1.01 -0.94 -1.94 121.20 117.82 1brb s ILE 212 Ca 0.11 -0.61 -0.32 0.00 0.00 0.00 0.00 60.65 59.83 1brb s ILE 212 Cb 0.06 -1.29 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 1brb s ILE 212 CO -0.07 0.42 1.81 0.52 0.00 0.00 0.00 174.94 177.63 1brb n VAL 213 N 4.05 0.34 0.00 2.92 0.31 -0.69 -1.09 118.33 124.18 1brb n VAL 213 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1brb n VAL 213 Cb 0.51 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1brb n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1brb n SER 214 N 5.47 0.00 -3.79 4.52 2.88 -1.17 -0.87 113.62 120.67 1brb n SER 214 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1brb n SER 214 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 1brb n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1brb s TRP 215 N -0.93 0.35 0.00 0.66 1.48 -0.81 -4.88 118.94 114.81 1brb s TRP 215 Ca 0.00 -0.74 0.00 0.00 -1.06 0.00 0.00 56.10 54.30 1brb s TRP 215 Cb 0.00 0.29 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 1brb s TRP 215 CO 0.00 -1.10 0.00 0.41 -4.06 0.00 0.00 176.95 172.20 1brb n GLY 216 N -0.43 1.24 3.62 3.67 0.00 -1.26 -0.94 105.19 111.08 1brb n GLY 216 Ca -0.02 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1brb n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1brb s TYR 217 N -2.00 3.27 0.00 1.61 2.02 -1.26 -4.89 117.35 116.09 1brb s TYR 217 Ca 0.00 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 1brb s TYR 217 Cb 0.00 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1brb s TYR 217 CO 0.00 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 1brb n GLY 219 N 4.34 -1.76 2.98 0.71 0.00 -1.26 -4.64 105.19 105.56 1brb n GLY 219 Ca -0.03 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1brb n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brb n ALA 221 N 4.34 -0.81 -2.08 0.00 0.00 -1.26 -4.59 120.51 116.12 1brb n ALA 221 Ca -0.18 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1brb n ALA 221 Cb 0.51 -2.71 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 1brb n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1brb s LEU 221 N -6.23 4.42 0.15 0.00 1.43 -1.26 -0.74 118.68 116.45 1brb s LEU 221 Ca 0.14 1.47 -0.34 0.00 -1.03 0.00 0.00 54.13 54.37 1brb s LEU 221 Cb -0.06 -3.48 -0.16 0.00 0.03 0.00 0.00 46.19 42.52 1brb s LEU 221 CO 0.17 0.09 1.24 -2.65 0.23 0.00 0.00 176.35 175.43 1brb n PRO 222 N 1.00 1.25 -1.91 1.29 -0.02 -1.26 -1.63 135.00 133.72 1brb n PRO 222 Ca -0.04 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 1brb n PRO 222 Cb 0.50 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1brb n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1brb n ASP 223 N 2.20 -4.16 -3.67 2.55 8.00 0.26 -4.90 116.55 116.83 1brb n ASP 223 Ca 0.16 0.25 -0.28 0.00 0.71 0.00 0.00 54.79 55.64 1brb n ASP 223 Cb 0.24 -3.67 -0.11 0.00 -0.02 0.00 0.00 41.12 37.56 1brb n ASP 223 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1brb s ASN 224 N -2.15 3.29 1.08 -2.24 0.01 -0.65 -4.70 114.94 109.57 1brb s ASN 224 Ca 0.00 -3.46 -0.16 0.00 -0.71 0.00 0.00 52.86 48.52 1brb s ASN 224 Cb 0.00 -1.08 0.23 0.00 0.41 0.00 0.00 41.25 40.80 1brb s ASN 224 CO 0.00 -0.13 1.15 -2.16 -1.51 0.00 0.00 177.10 174.45 1brb s PRO 225 N -0.72 -0.21 0.23 -0.60 0.04 -1.26 -4.32 135.00 128.15 1brb s PRO 225 Ca 0.28 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.17 1brb s PRO 225 Cb -0.02 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.74 1brb s PRO 225 CO -0.17 -3.05 0.67 -0.51 0.04 0.00 0.00 177.00 173.97 1brb s ASP 226 N -4.04 6.89 -0.05 6.66 1.01 -0.70 -4.65 116.67 121.78 1brb s ASP 226 Ca 0.69 1.26 0.04 0.00 0.71 0.00 0.00 52.55 55.25 1brb s ASP 226 Cb -0.11 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 1brb s ASP 226 CO 0.55 -0.02 -0.18 0.54 0.21 0.00 0.00 175.17 176.27 1brb s VAL 227 N -1.65 1.54 0.17 -1.27 0.11 -0.12 -1.03 120.40 118.15 1brb s VAL 227 Ca 0.45 -0.77 0.09 0.00 -2.93 0.00 0.00 61.98 58.82 1brb s VAL 227 Cb -0.14 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1brb s VAL 227 CO 0.20 0.44 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.99 1brb s TYR 228 N 0.07 2.62 0.06 1.54 2.02 0.35 -1.93 117.35 122.09 1brb s TYR 228 Ca -0.06 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.12 1brb s TYR 228 Cb -0.13 -1.29 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 1brb s TYR 228 CO 0.03 0.50 1.26 0.99 -1.57 0.00 0.00 175.55 176.76 1brb s THR 229 N -1.65 3.86 -0.88 -0.71 2.01 -0.25 -1.15 115.64 116.87 1brb s THR 229 Ca 0.24 1.32 -0.25 0.00 0.31 0.00 0.00 61.69 63.32 1brb s THR 229 Cb -0.09 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1brb s THR 229 CO 0.15 0.09 1.52 -0.75 -0.69 0.00 0.00 174.62 174.94 1brb s LYS 230 N 1.25 3.22 0.50 4.92 2.20 -0.60 -2.21 119.74 129.02 1brb s LYS 230 Ca 0.60 -0.57 0.14 0.00 -0.36 0.00 0.00 55.97 55.78 1brb s LYS 230 Cb -0.31 -4.89 1.19 0.00 -1.51 0.00 0.00 37.83 32.31 1brb s LYS 230 CO 0.29 -2.44 2.13 0.28 -0.36 0.00 0.00 175.35 175.25 1brb h VAL 231 N 6.67 1.02 0.00 4.02 2.07 -1.69 -2.43 116.25 125.91 1brb h VAL 231 Ca 0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1brb h VAL 231 Cb 1.04 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1brb h VAL 231 CO 1.33 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.94 1brb n ASN 233 N -2.56 0.39 0.00 0.00 4.13 -0.91 -4.10 115.26 112.21 1brb n ASN 233 Ca -0.01 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 55.85 1brb n ASN 233 Cb 0.08 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1brb n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1brb n TYR 234 N -1.08 0.00 -0.14 3.10 4.01 0.15 -4.79 117.16 118.40 1brb n TYR 234 Ca 0.13 -0.38 -0.05 0.00 -0.16 0.00 0.00 57.90 57.44 1brb n TYR 234 Cb 0.29 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 1brb n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1brb h VAL 235 N 0.50 0.94 -0.48 -0.72 2.07 -1.70 0.57 116.25 117.44 1brb h VAL 235 Ca 0.00 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1brb h VAL 235 Cb 0.55 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1brb h VAL 235 CO 0.00 0.08 -0.15 0.44 0.02 0.00 0.00 177.57 177.96 1brb h ASP 236 N 0.41 0.91 -0.65 0.57 3.32 -1.91 -0.71 116.42 118.36 1brb h ASP 236 Ca 0.19 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1brb h ASP 236 Cb 0.12 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1brb h ASP 236 CO -0.15 1.05 0.29 -0.25 -1.72 0.00 0.00 179.24 178.46 1brb h TRP 237 N 0.80 1.00 0.55 4.55 7.01 -1.66 -0.68 115.95 127.52 1brb h TRP 237 Ca 0.12 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1brb h TRP 237 Cb 0.68 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1brb h TRP 237 CO 0.04 0.75 -0.27 0.82 -2.79 0.00 0.00 178.44 177.00 1brb h ILE 238 N 0.98 0.37 -0.57 2.65 2.04 -0.27 -1.13 117.51 121.58 1brb h ILE 238 Ca 0.23 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1brb h ILE 238 Cb 0.16 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1brb h ILE 238 CO -0.02 0.04 0.36 1.56 0.00 0.00 0.00 178.15 180.08 1brb h GLN 239 N -0.95 0.69 -0.35 2.37 4.20 -1.04 -1.03 115.11 119.00 1brb h GLN 239 Ca -0.08 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1brb h GLN 239 Cb 0.63 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1brb h GLN 239 CO 0.12 0.46 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.20 1brb h ASP 240 N 0.71 0.58 -0.24 1.46 3.32 -1.15 -1.53 116.42 119.58 1brb h ASP 240 Ca 0.22 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1brb h ASP 240 Cb -0.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1brb h ASP 240 CO -0.08 0.73 -0.55 0.74 -1.72 0.00 0.00 179.24 178.35 1brb h THR 241 N 0.55 1.29 -0.55 0.35 2.02 -0.44 -1.86 112.91 114.28 1brb h THR 241 Ca 0.10 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 1brb h THR 241 Cb 0.51 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1brb h THR 241 CO 0.03 0.56 0.21 0.40 0.37 0.00 0.00 175.52 177.09 1brb h ILE 242 N 0.54 1.20 0.03 3.11 2.04 -1.04 -1.93 117.51 121.47 1brb h ILE 242 Ca -0.00 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1brb h ILE 242 Cb 1.17 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1brb h ILE 242 CO 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 178.15 178.51 1brb h ALA 243 N 1.44 -0.04 0.00 1.87 0.00 -1.16 -3.01 119.26 118.36 1brb h ALA 243 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1brb h ALA 243 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1brb h ALA 243 CO -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1brb n ALA 244 N -2.36 1.34 -0.35 0.00 0.00 -0.71 -5.10 120.51 113.34 1brb n ALA 244 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1brb n ALA 244 Cb 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1brb n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59