#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2blr s THR 2 N 0.00 5.44 -0.21 0.00 -4.23 -1.26 -0.45 115.64 114.93 2blr s THR 2 Ca 0.00 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 2blr s THR 2 Cb 0.00 -3.38 0.05 0.00 1.34 0.00 0.00 72.50 70.51 2blr s THR 2 CO 0.00 0.60 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.24 2blr s PHE 3 N -0.91 2.40 -0.22 3.99 0.40 -0.39 -1.47 117.98 121.79 2blr s PHE 3 Ca 0.14 -1.65 -0.23 0.00 -0.60 0.00 0.00 56.93 54.60 2blr s PHE 3 Cb -0.12 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2blr s PHE 3 CO 0.03 -0.75 0.73 -2.00 0.70 0.00 0.00 175.22 173.94 2blr s GLU 4 N 1.40 4.20 -0.24 0.44 2.12 -0.27 -1.03 118.70 125.31 2blr s GLU 4 Ca -0.03 0.78 -0.06 0.00 0.36 0.00 0.00 54.97 56.02 2blr s GLU 4 Cb -0.17 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2blr s GLU 4 CO -0.07 -0.38 0.04 0.42 -0.54 0.00 0.00 175.26 174.72 2blr s ILE 5 N 2.37 4.05 -0.12 -3.70 1.01 0.54 -0.66 121.20 124.69 2blr s ILE 5 Ca 0.32 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2blr s ILE 5 Cb -0.16 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2blr s ILE 5 CO 0.09 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 2blr s VAL 6 N 1.52 1.87 -0.54 2.92 1.01 0.32 -0.62 120.40 126.88 2blr s VAL 6 Ca 0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2blr s VAL 6 Cb -0.15 -1.65 0.11 0.00 0.00 0.00 0.00 36.38 34.69 2blr s VAL 6 CO 0.02 0.51 0.53 0.21 0.00 0.00 0.00 175.10 176.37 2blr s ASN 7 N 0.73 6.18 0.00 3.32 2.47 -0.39 -0.80 114.94 126.44 2blr s ASN 7 Ca -0.10 -1.58 0.24 0.00 0.42 0.00 0.00 52.86 51.83 2blr s ASN 7 Cb -0.16 -2.23 0.66 0.00 -1.45 0.00 0.00 41.25 38.07 2blr s ASN 7 CO 0.01 -0.88 1.52 -1.14 -3.72 0.00 0.00 177.10 172.89 2blr n ARG 8 N 5.53 1.99 -1.39 0.43 0.63 -0.29 0.39 116.66 123.93 2blr n ARG 8 Ca -0.12 -1.46 -0.33 0.00 -0.92 0.00 0.00 57.85 55.02 2blr n ARG 8 Cb 0.41 -1.46 0.09 0.00 0.45 0.00 0.00 32.46 31.95 2blr n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2blr n SER 10 N -3.02 0.00 -4.52 0.00 3.41 -1.26 -4.34 113.62 103.89 2blr n SER 10 Ca 0.11 0.30 -0.26 0.00 -0.26 0.00 0.00 58.87 58.75 2blr n SER 10 Cb 0.52 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2blr n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2blr s TYR 11 N -2.85 2.51 0.41 7.33 -0.85 -1.26 -4.80 117.35 117.84 2blr s TYR 11 Ca 0.17 -0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 56.19 2blr s TYR 11 Cb 0.17 -1.22 -0.09 0.00 0.38 0.00 0.00 41.96 41.21 2blr s TYR 11 CO 0.44 0.53 1.30 0.99 -1.52 0.00 0.00 175.55 177.29 2blr s THR 12 N -1.78 2.63 0.19 -3.49 2.01 -1.26 -4.32 115.64 109.62 2blr s THR 12 Ca 0.24 0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.88 2blr s THR 12 Cb -0.08 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2blr s THR 12 CO 0.14 0.08 -0.15 0.68 -0.69 0.00 0.00 174.62 174.67 2blr s VAL 13 N -1.28 1.74 -0.38 3.82 -7.23 -0.76 -4.66 120.40 111.65 2blr s VAL 13 Ca 0.57 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 2blr s VAL 13 Cb -0.38 -1.96 0.09 0.00 0.56 0.00 0.00 36.38 34.69 2blr s VAL 13 CO 0.48 -0.51 0.17 0.26 -0.31 0.00 0.00 175.10 175.19 2blr s TRP 14 N -2.67 3.46 0.69 2.82 0.51 -0.19 -0.29 118.94 123.25 2blr s TRP 14 Ca 0.20 -2.08 -0.16 0.00 -2.12 0.00 0.00 56.10 51.94 2blr s TRP 14 Cb -0.02 -2.89 0.02 0.00 -0.81 0.00 0.00 33.47 29.76 2blr s TRP 14 CO 0.07 -0.90 1.17 0.00 -0.51 0.00 0.00 176.95 176.78 2blr s ALA 15 N 1.23 2.29 0.01 0.98 0.00 -0.19 -1.05 121.76 125.03 2blr s ALA 15 Ca 0.04 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 2blr s ALA 15 Cb -0.22 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2blr s ALA 15 CO -0.02 -1.58 0.03 0.00 0.00 0.00 0.00 175.76 174.20 2blr s ALA 16 N -2.04 -0.05 -0.14 0.00 0.00 -0.13 -1.83 121.76 117.56 2blr s ALA 16 Ca 0.72 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2blr s ALA 16 Cb -0.26 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2blr s ALA 16 CO 0.42 -0.15 0.31 0.00 0.00 0.00 0.00 175.76 176.35 2blr s ALA 17 N -1.15 -0.75 0.09 0.00 0.00 -0.34 -1.85 121.76 117.77 2blr s ALA 17 Ca -0.13 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2blr s ALA 17 Cb -0.07 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.08 2blr s ALA 17 CO -0.00 -0.53 0.38 0.45 0.00 0.00 0.00 175.76 176.06 2blr s SER 18 N 2.10 -0.21 -0.13 0.00 0.15 -0.68 -1.43 113.70 113.51 2blr s SER 18 Ca -0.03 -0.24 0.15 0.00 0.70 0.00 0.00 55.95 56.54 2blr s SER 18 Cb -0.11 0.44 0.41 0.00 -1.71 0.00 0.00 66.02 65.05 2blr s SER 18 CO -0.10 -0.76 1.32 2.29 1.20 0.00 0.00 173.24 177.18 2blr n LYS 19 N 0.08 2.61 0.00 5.44 2.85 -0.46 -1.01 118.16 127.67 2blr n LYS 19 Ca -0.17 -2.57 0.00 0.00 -1.05 0.00 0.00 58.31 54.52 2blr n LYS 19 Cb 0.62 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2blr n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2blr n GLY 20 N -0.51 3.10 0.06 2.58 0.00 -1.26 -4.65 105.19 104.52 2blr n GLY 20 Ca 0.17 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.26 2blr n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2blr n ASP 21 N 0.80 1.97 -3.55 1.61 5.75 -1.25 -4.33 116.55 117.55 2blr n ASP 21 Ca 0.00 -1.88 -0.10 0.00 -0.01 0.00 0.00 54.79 52.80 2blr n ASP 21 Cb 0.00 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 2blr n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2blr s ALA 22 N -0.89 -1.89 0.61 2.12 0.00 -0.70 -4.98 121.76 116.03 2blr s ALA 22 Ca 0.02 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 2blr s ALA 22 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2blr s ALA 22 CO 0.02 -0.47 1.21 0.00 0.00 0.00 0.00 175.76 176.52 2blr s ALA 23 N -1.92 2.49 -0.21 0.00 0.00 -1.25 -1.36 121.76 119.51 2blr s ALA 23 Ca 0.01 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2blr s ALA 23 Cb -0.01 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2blr s ALA 23 CO -0.02 -1.27 0.14 -0.51 0.00 0.00 0.00 175.76 174.10 2blr s LEU 24 N -4.23 4.16 0.00 0.00 1.43 -0.51 -4.73 118.68 114.80 2blr s LEU 24 Ca 0.77 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2blr s LEU 24 Cb -0.30 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2blr s LEU 24 CO 0.35 0.14 0.00 -0.67 0.23 0.00 0.00 176.35 176.40 2blr n ASP 25 N 3.78 0.00 0.04 2.29 -0.08 -1.25 -0.97 116.55 120.37 2blr n ASP 25 Ca -0.16 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.22 2blr n ASP 25 Cb 0.52 0.00 0.40 0.00 2.34 0.00 0.00 41.12 44.38 2blr n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2blr n ALA 26 N 8.17 1.78 0.00 -1.67 0.00 -1.26 -4.91 120.51 122.62 2blr n ALA 26 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2blr n ALA 26 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2blr n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2blr n GLY 27 N 0.25 2.75 3.58 0.00 0.00 -0.14 -4.38 105.19 107.24 2blr n GLY 27 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2blr n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2blr s GLY 28 N -1.30 -0.31 -0.12 -0.02 0.00 -1.25 -1.20 107.32 103.11 2blr s GLY 28 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 44.72 45.96 2blr s GLY 28 CO 0.00 0.52 0.91 -1.60 0.00 0.00 0.00 173.10 172.93 2blr s ARG 29 N -2.48 0.73 0.20 2.90 3.52 -0.76 -4.58 118.95 118.48 2blr s ARG 29 Ca 0.09 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 2blr s ARG 29 Cb -0.01 0.34 -0.08 0.00 -1.56 0.00 0.00 34.95 33.64 2blr s ARG 29 CO -0.05 -0.23 1.23 -1.14 -0.81 0.00 0.00 175.30 174.30 2blr s GLN 30 N -1.19 4.46 -0.27 5.12 0.74 -1.26 -1.02 119.66 126.24 2blr s GLN 30 Ca -0.04 1.95 -0.00 0.00 0.05 0.00 0.00 55.36 57.31 2blr s GLN 30 Cb -0.00 -3.21 0.08 0.00 1.10 0.00 0.00 33.01 30.98 2blr s GLN 30 CO 0.04 -0.13 0.04 -0.51 -0.55 0.00 0.00 175.29 174.18 2blr s LEU 31 N -0.36 2.38 0.97 3.68 1.02 0.60 -4.91 118.68 122.06 2blr s LEU 31 Ca 0.53 -1.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.14 2blr s LEU 31 Cb -0.34 -0.97 0.18 0.00 0.02 0.00 0.00 46.19 45.08 2blr s LEU 31 CO 0.38 -0.35 1.09 0.20 0.02 0.00 0.00 176.35 177.70 2blr s ASN 32 N 1.54 2.60 -0.06 2.29 0.01 -1.26 -1.83 114.94 118.22 2blr s ASN 32 Ca 0.04 1.75 -0.34 0.00 -0.71 0.00 0.00 52.86 53.60 2blr s ASN 32 Cb -0.18 -2.36 -0.12 0.00 0.41 0.00 0.00 41.25 39.00 2blr s ASN 32 CO -0.16 -3.23 1.87 -0.24 -1.51 0.00 0.00 177.10 173.83 2blr n SER 33 N -4.29 3.48 0.00 -1.22 2.88 -1.26 -1.17 113.62 112.03 2blr n SER 33 Ca 0.08 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2blr n SER 33 Cb 0.54 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2blr n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2blr n GLY 34 N 4.35 1.41 3.79 0.46 0.00 0.16 -5.04 105.19 110.33 2blr n GLY 34 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2blr n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2blr s GLU 35 N -0.74 3.52 -0.03 1.61 2.02 -0.32 -4.75 118.70 120.00 2blr s GLU 35 Ca 0.00 1.34 0.05 0.00 0.02 0.00 0.00 54.97 56.38 2blr s GLU 35 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2blr s GLU 35 CO 0.00 -0.67 -0.19 -1.12 0.02 0.00 0.00 175.26 173.30 2blr s SER 36 N -2.27 2.35 -0.11 -0.19 0.01 -1.26 -1.27 113.70 110.96 2blr s SER 36 Ca 0.67 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2blr s SER 36 Cb -0.17 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.59 2blr s SER 36 CO 0.28 0.20 -0.06 0.86 0.41 0.00 0.00 173.24 174.94 2blr s TRP 37 N -0.20 1.32 -0.24 2.43 -0.00 0.20 -4.97 118.94 117.48 2blr s TRP 37 Ca 0.01 -0.65 -0.10 0.00 -0.00 0.00 0.00 56.10 55.37 2blr s TRP 37 Cb -0.10 -1.14 -0.05 0.00 -0.00 0.00 0.00 33.47 32.18 2blr s TRP 37 CO 0.01 -0.48 0.14 0.99 -0.00 0.00 0.00 176.95 177.60 2blr s THR 38 N 1.76 5.11 0.23 5.86 2.01 -1.26 -0.34 115.64 129.02 2blr s THR 38 Ca 0.05 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.23 2blr s THR 38 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2blr s THR 38 CO -0.08 0.34 0.02 0.27 -0.69 0.00 0.00 174.62 174.48 2blr s ILE 39 N 1.17 3.65 -0.18 1.82 -4.36 -0.20 -4.96 121.20 118.14 2blr s ILE 39 Ca 0.07 -1.68 -0.03 0.00 -0.26 0.00 0.00 60.65 58.75 2blr s ILE 39 Cb -0.14 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 2blr s ILE 39 CO 0.05 -0.27 -0.07 0.20 0.24 0.00 0.00 174.94 175.08 2blr s ASN 40 N -3.42 4.29 -0.15 4.36 -0.87 -1.26 -1.26 114.94 116.63 2blr s ASN 40 Ca 0.30 -0.32 -0.01 0.00 -1.57 0.00 0.00 52.86 51.26 2blr s ASN 40 Cb -0.08 -1.70 -0.01 0.00 -0.02 0.00 0.00 41.25 39.44 2blr s ASN 40 CO 0.20 0.08 -0.11 -0.69 -2.57 0.00 0.00 177.10 174.01 2blr s VAL 41 N 0.90 3.14 0.32 1.60 1.01 0.40 -3.79 120.40 123.99 2blr s VAL 41 Ca -0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2blr s VAL 41 Cb -0.15 -2.35 -0.12 0.00 0.00 0.00 0.00 36.38 33.77 2blr s VAL 41 CO 0.01 0.50 1.48 1.21 0.00 0.00 0.00 175.10 178.30 2blr n GLU 42 N 3.80 2.48 -1.63 2.72 2.13 -1.26 -0.52 120.64 128.35 2blr n GLU 42 Ca -0.18 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.14 2blr n GLU 42 Cb 0.52 -2.58 0.06 0.00 0.27 0.00 0.00 31.44 29.70 2blr n GLU 42 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2blr n PRO 43 N 1.38 0.92 -0.92 5.31 -0.02 -1.26 -2.43 135.00 137.98 2blr n PRO 43 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2blr n PRO 43 Cb 0.36 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2blr n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2blr n GLY 44 N 1.24 0.96 3.69 -1.23 0.00 -1.19 -4.99 105.19 103.66 2blr n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2blr n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2blr s THR 45 N -3.84 2.87 -0.14 2.61 2.01 -1.02 -4.70 115.64 113.43 2blr s THR 45 Ca 0.00 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2blr s THR 45 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2blr s THR 45 CO 0.00 -0.00 -0.08 0.21 -0.69 0.00 0.00 174.62 174.06 2blr s ASN 46 N 2.69 4.43 -0.69 3.53 3.84 -1.26 -0.53 114.94 126.96 2blr s ASN 46 Ca 0.77 -0.21 -0.04 0.00 0.21 0.00 0.00 52.86 53.59 2blr s ASN 46 Cb -0.42 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 2blr s ASN 46 CO 0.34 0.18 0.59 0.61 -2.79 0.00 0.00 177.10 176.03 2blr n GLY 47 N 3.47 0.20 3.85 1.21 0.00 -1.16 -4.96 105.19 107.79 2blr n GLY 47 Ca -0.18 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2blr n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2blr s GLY 48 N -3.15 2.16 -0.00 -0.02 0.00 -0.18 -4.55 107.32 101.57 2blr s GLY 48 Ca 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 2blr s GLY 48 CO 0.36 0.31 0.03 0.54 0.00 0.00 0.00 173.10 174.35 2blr s LYS 49 N -3.58 0.23 -0.02 2.90 1.02 -0.18 -1.39 119.74 118.72 2blr s LYS 49 Ca 0.56 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.33 2blr s LYS 49 Cb -0.10 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 2blr s LYS 49 CO 0.25 -0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.85 2blr s ILE 50 N -0.79 1.61 0.16 2.17 1.01 -0.14 -1.69 121.20 123.53 2blr s ILE 50 Ca -0.09 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2blr s ILE 50 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2blr s ILE 50 CO -0.00 0.46 0.35 -1.66 0.00 0.00 0.00 174.94 174.08 2blr s TRP 51 N -0.35 0.21 0.10 3.97 -2.14 -0.77 -1.29 118.94 118.67 2blr s TRP 51 Ca 0.05 -0.57 -0.04 0.00 2.66 0.00 0.00 56.10 58.20 2blr s TRP 51 Cb -0.09 0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 2blr s TRP 51 CO 0.00 -0.76 0.32 0.00 -2.66 0.00 0.00 176.95 173.85 2blr s ALA 52 N -3.93 3.86 -0.00 2.67 0.00 -1.26 -0.96 121.76 122.14 2blr s ALA 52 Ca 0.13 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2blr s ALA 52 Cb 0.02 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 2blr s ALA 52 CO -0.02 0.71 -0.26 1.03 0.00 0.00 0.00 175.76 177.22 2blr s ARG 53 N -2.51 2.04 0.21 0.00 0.52 -0.21 -4.63 118.95 114.37 2blr s ARG 53 Ca 0.38 -0.97 0.10 0.00 -0.52 0.00 0.00 55.73 54.72 2blr s ARG 53 Cb -0.13 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 2blr s ARG 53 CO 0.25 0.55 -0.16 0.95 0.02 0.00 0.00 175.30 176.91 2blr s THR 54 N -0.66 2.78 -1.17 0.02 -4.23 -1.15 -1.02 115.64 110.21 2blr s THR 54 Ca 0.10 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 2blr s THR 54 Cb -0.10 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 2blr s THR 54 CO -0.00 -0.19 0.77 0.47 -0.54 0.00 0.00 174.62 175.13 2blr n ASP 55 N -0.09 -4.53 -4.93 3.99 8.00 -1.26 -1.54 116.55 116.19 2blr n ASP 55 Ca -0.10 -0.94 -0.28 0.00 0.71 0.00 0.00 54.79 54.18 2blr n ASP 55 Cb 0.57 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 2blr n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2blr s TYR 57 N -1.66 0.85 -0.01 0.00 1.51 -0.08 -4.98 117.35 112.97 2blr s TYR 57 Ca 0.35 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 2blr s TYR 57 Cb -0.12 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 2blr s TYR 57 CO 0.28 -0.27 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.24 2blr s PHE 58 N 1.29 1.37 1.03 2.71 0.08 -1.26 -1.49 117.98 121.71 2blr s PHE 58 Ca -0.05 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 2blr s PHE 58 Cb -0.14 -0.88 0.24 0.00 -0.57 0.00 0.00 43.02 41.67 2blr s PHE 58 CO -0.02 -0.03 1.29 -0.40 -0.10 0.00 0.00 175.22 175.95 2blr n ASP 59 N 2.74 -0.36 0.32 1.36 5.68 -0.17 -4.88 116.55 121.25 2blr n ASP 59 Ca -0.15 -1.42 0.21 0.00 -0.50 0.00 0.00 54.79 52.94 2blr n ASP 59 Cb 0.55 -1.02 1.09 0.00 -1.14 0.00 0.00 41.12 40.60 2blr n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2blr h ASP 60 N -1.96 0.00 0.07 -1.12 3.32 -2.02 -0.26 116.42 114.45 2blr h ASP 60 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2blr h ASP 60 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2blr h ASP 60 CO 0.30 0.00 -0.09 -1.54 -1.72 0.00 0.00 179.24 176.19 2blr n SER 61 N -3.14 1.39 0.00 6.45 3.41 -1.26 -4.94 113.62 115.52 2blr n SER 61 Ca -0.02 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2blr n SER 61 Cb 0.12 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2blr n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2blr n GLY 62 N 1.24 0.70 3.39 5.00 0.00 -0.11 -4.97 105.19 110.43 2blr n GLY 62 Ca 0.17 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2blr n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2blr s SER 63 N -2.73 3.62 0.00 1.61 0.01 -1.26 -1.00 113.70 113.95 2blr s SER 63 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2blr s SER 63 Cb 0.00 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2blr s SER 63 CO 0.00 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2blr n GLY 64 N 2.59 -0.64 3.49 3.44 0.00 0.17 -1.00 105.19 113.24 2blr n GLY 64 Ca -0.17 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2blr n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2blr s ILE 65 N -0.65 0.01 0.13 -0.61 2.07 -0.55 -4.34 121.20 117.26 2blr s ILE 65 Ca 0.00 -0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2blr s ILE 65 Cb 0.00 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2blr s ILE 65 CO 0.00 -0.04 -0.21 0.00 -1.91 0.00 0.00 174.94 172.78 2blr h LYS 67 N 3.72 0.00 -5.28 0.00 1.57 -1.06 -3.39 116.57 112.13 2blr h LYS 67 Ca -0.46 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.86 2blr h LYS 67 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.23 2blr h LYS 67 CO 0.44 0.67 -0.80 0.95 -0.57 0.00 0.00 179.45 180.13 2blr s THR 68 N -3.27 1.10 -0.26 -0.16 -4.23 -1.19 -4.69 115.64 102.94 2blr s THR 68 Ca 0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2blr s THR 68 Cb 0.11 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2blr s THR 68 CO 0.76 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 2blr n GLY 69 N 2.33 0.54 3.76 3.99 0.00 -0.32 -2.94 105.19 112.55 2blr n GLY 69 Ca -0.16 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2blr n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2blr n ASP 70 N 0.08 3.78 -4.01 1.61 2.03 -1.26 -3.82 116.55 114.97 2blr n ASP 70 Ca -0.02 1.20 -0.32 0.00 0.52 0.00 0.00 54.79 56.16 2blr n ASP 70 Cb 0.19 -1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 38.89 2blr n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2blr n GLY 72 N 2.22 0.94 2.25 0.00 0.00 -1.26 -2.34 105.19 107.00 2blr n GLY 72 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2blr n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blr n GLY 73 N -0.84 0.49 3.88 -0.02 0.00 -1.26 -4.94 105.19 102.50 2blr n GLY 73 Ca -0.20 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2blr n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2blr s LEU 74 N -0.38 4.39 0.06 0.99 1.43 -0.99 0.46 118.68 124.64 2blr s LEU 74 Ca 0.00 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.39 2blr s LEU 74 Cb 0.00 -2.43 -0.13 0.00 0.03 0.00 0.00 46.19 43.66 2blr s LEU 74 CO 0.00 0.32 1.54 0.25 0.23 0.00 0.00 176.35 178.69 2blr h LEU 75 N 4.37 0.17 -7.93 1.79 5.85 -1.41 -3.39 115.31 114.78 2blr h LEU 75 Ca -0.52 -0.24 -0.74 0.00 0.84 0.00 0.00 57.88 57.23 2blr h LEU 75 Cb 1.21 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.98 2blr h LEU 75 CO 0.63 0.37 0.45 -0.13 -0.34 0.00 0.00 178.44 179.42 2blr s ARG 76 N -5.24 3.55 0.24 1.25 0.52 -1.26 -3.86 118.95 114.15 2blr s ARG 76 Ca -0.14 -2.03 -0.31 0.00 -0.52 0.00 0.00 55.73 52.73 2blr s ARG 76 Cb 0.06 -4.65 -0.11 0.00 0.52 0.00 0.00 34.95 30.77 2blr s ARG 76 CO 0.70 -1.54 1.55 0.00 0.02 0.00 0.00 175.30 176.03 2blr n LYS 78 N 2.82 1.64 -4.39 0.00 5.02 -1.26 -3.95 118.16 118.04 2blr n LYS 78 Ca 0.10 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 2blr n LYS 78 Cb 0.38 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 2blr n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2blr s ARG 79 N -2.53 1.59 0.78 1.97 1.81 -1.26 -1.72 118.95 119.58 2blr s ARG 79 Ca 0.00 -1.89 -0.11 0.00 -1.72 0.00 0.00 55.73 52.01 2blr s ARG 79 Cb 0.09 -0.48 0.06 0.00 -0.45 0.00 0.00 34.95 34.17 2blr s ARG 79 CO 0.53 -0.31 1.09 -0.06 -0.68 0.00 0.00 175.30 175.86 2blr s PHE 80 N -3.51 2.64 0.34 -0.53 0.08 -1.26 -4.84 117.98 110.90 2blr s PHE 80 Ca 0.35 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 2blr s PHE 80 Cb 0.07 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2blr s PHE 80 CO 0.15 -1.79 0.56 0.20 -0.10 0.00 0.00 175.22 174.24 2blr s GLY 81 N -3.48 1.44 0.02 4.36 0.00 -1.26 -4.60 107.32 103.80 2blr s GLY 81 Ca 0.61 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 2blr s GLY 81 CO 0.56 -0.75 1.25 -1.60 0.00 0.00 0.00 173.10 172.56 2blr s ARG 82 N -4.20 4.38 0.80 2.90 3.52 0.51 -4.85 118.95 122.00 2blr s ARG 82 Ca 0.41 1.81 -0.14 0.00 -0.13 0.00 0.00 55.73 57.68 2blr s ARG 82 Cb -0.10 -3.43 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 2blr s ARG 82 CO 0.36 -0.38 1.08 -2.30 -0.81 0.00 0.00 175.30 173.25 2blr n PRO 83 N 4.51 0.22 -3.00 5.12 -0.02 -1.26 -1.18 135.00 139.40 2blr n PRO 83 Ca 0.10 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 2blr n PRO 83 Cb 0.45 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2blr n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2blr s PRO 84 N -3.89 4.49 -0.11 0.52 0.04 -1.26 -4.67 135.00 130.13 2blr s PRO 84 Ca 0.72 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.79 2blr s PRO 84 Cb -0.30 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 30.96 2blr s PRO 84 CO 0.52 0.35 0.16 0.95 0.04 0.00 0.00 177.00 179.02 2blr s THR 85 N -0.28 -0.26 0.22 1.26 -4.23 -0.46 -4.02 115.64 107.87 2blr s THR 85 Ca 0.38 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.81 2blr s THR 85 Cb -0.21 -0.39 -0.10 0.00 1.34 0.00 0.00 72.50 73.14 2blr s THR 85 CO 0.23 0.05 1.43 -0.89 -0.54 0.00 0.00 174.62 174.90 2blr s THR 86 N 2.29 2.79 -0.13 3.99 2.01 -1.19 -4.33 115.64 121.06 2blr s THR 86 Ca 0.04 0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2blr s THR 86 Cb -0.13 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2blr s THR 86 CO -0.07 0.09 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.00 2blr s LEU 87 N -0.07 2.30 -0.28 4.42 1.43 -0.76 -4.52 118.68 121.20 2blr s LEU 87 Ca 0.60 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 2blr s LEU 87 Cb -0.41 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2blr s LEU 87 CO 0.40 0.11 0.52 0.00 0.23 0.00 0.00 176.35 177.62 2blr s ALA 88 N 0.65 3.57 -0.02 4.21 0.00 -0.41 -1.14 121.76 128.62 2blr s ALA 88 Ca -0.10 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.28 2blr s ALA 88 Cb -0.16 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2blr s ALA 88 CO 0.02 -0.83 -0.24 -1.21 0.00 0.00 0.00 175.76 173.50 2blr s GLU 89 N 2.35 1.96 -0.12 0.00 2.02 -0.11 -0.97 118.70 123.84 2blr s GLU 89 Ca 0.21 -0.88 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 2blr s GLU 89 Cb -0.16 -1.91 0.05 0.00 0.10 0.00 0.00 34.13 32.22 2blr s GLU 89 CO 0.10 0.52 0.55 -0.59 0.02 0.00 0.00 175.26 175.87 2blr s PHE 90 N -0.59 -0.55 -0.08 1.61 -0.71 -0.48 -1.39 117.98 115.79 2blr s PHE 90 Ca 0.09 1.15 0.01 0.00 -1.04 0.00 0.00 56.93 57.14 2blr s PHE 90 Cb -0.09 0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.99 2blr s PHE 90 CO -0.01 -0.42 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.23 2blr s SER 91 N -0.52 1.78 -0.03 1.98 0.01 -0.48 -1.02 113.70 115.44 2blr s SER 91 Ca -0.06 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2blr s SER 91 Cb -0.03 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2blr s SER 91 CO 0.05 -0.02 -0.02 -0.76 0.41 0.00 0.00 173.24 172.89 2blr s LEU 92 N 1.01 3.41 -1.33 2.44 1.43 0.31 -0.92 118.68 125.04 2blr s LEU 92 Ca -0.08 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2blr s LEU 92 Cb -0.15 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2blr s LEU 92 CO -0.00 0.31 0.78 0.59 0.23 0.00 0.00 176.35 178.26 2blr n ASN 93 N 1.68 -1.90 -4.35 2.29 3.02 -0.97 -3.17 115.26 111.86 2blr n ASN 93 Ca -0.16 -0.79 -0.45 0.00 -0.03 0.00 0.00 54.58 53.15 2blr n ASN 93 Cb 0.53 -4.17 -0.06 0.00 -0.61 0.00 0.00 39.78 35.47 2blr n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2blr s GLN 94 N -6.02 3.00 -1.53 3.52 -1.52 0.68 -4.46 119.66 113.34 2blr s GLN 94 Ca 0.11 -1.49 -0.08 0.00 -1.95 0.00 0.00 55.36 51.95 2blr s GLN 94 Cb -0.05 -4.22 0.07 0.00 -0.22 0.00 0.00 33.01 28.58 2blr s GLN 94 CO 0.80 -1.22 0.62 0.66 -0.25 0.00 0.00 175.29 175.90 2blr n TYR 95 N 5.37 -1.77 -0.08 0.91 4.01 -1.26 -2.25 117.16 122.09 2blr n TYR 95 Ca -0.13 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 2blr n TYR 95 Cb 0.42 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 35.95 2blr n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2blr n GLY 96 N -1.73 0.75 3.25 2.72 0.00 -1.26 -5.04 105.19 103.87 2blr n GLY 96 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2blr n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2blr s LYS 97 N -0.73 1.08 0.13 1.61 -0.14 -0.95 -2.21 119.74 118.52 2blr s LYS 97 Ca 0.00 -1.46 0.05 0.00 -1.36 0.00 0.00 55.97 53.19 2blr s LYS 97 Cb 0.00 -0.62 -0.04 0.00 -1.68 0.00 0.00 37.83 35.49 2blr s LYS 97 CO 0.00 0.06 0.08 -0.51 -0.76 0.00 0.00 175.35 174.23 2blr s ASP 98 N -3.18 5.35 -0.06 2.83 1.01 0.10 -0.23 116.67 122.49 2blr s ASP 98 Ca 0.17 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.30 2blr s ASP 98 Cb 0.03 -1.36 0.02 0.00 1.01 0.00 0.00 42.92 42.62 2blr s ASP 98 CO 0.01 0.11 -0.06 -0.31 0.21 0.00 0.00 175.17 175.13 2blr s TYR 99 N -1.59 0.98 0.08 4.23 2.02 -0.10 -0.47 117.35 122.50 2blr s TYR 99 Ca 0.29 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 2blr s TYR 99 Cb -0.11 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 2blr s TYR 99 CO 0.22 -0.27 -0.15 0.96 -1.57 0.00 0.00 175.55 174.73 2blr s ILE 100 N 1.12 1.24 0.26 2.71 -4.36 -0.61 -1.38 121.20 120.18 2blr s ILE 100 Ca -0.07 -1.41 -0.19 0.00 -0.26 0.00 0.00 60.65 58.72 2blr s ILE 100 Cb -0.14 -1.22 0.02 0.00 1.25 0.00 0.00 42.46 42.37 2blr s ILE 100 CO -0.01 -0.23 0.65 1.51 0.24 0.00 0.00 174.94 177.11 2blr s ASP 101 N -1.87 -0.24 -0.02 4.36 1.47 -0.49 -0.61 116.67 119.28 2blr s ASP 101 Ca 0.01 -0.64 0.04 0.00 1.18 0.00 0.00 52.55 53.14 2blr s ASP 101 Cb -0.09 0.69 -0.03 0.00 -0.34 0.00 0.00 42.92 43.15 2blr s ASP 101 CO 0.03 -1.27 -0.14 -0.63 0.68 0.00 0.00 175.17 173.83 2blr s ILE 102 N -3.93 3.09 -0.02 2.11 1.01 -1.26 -0.93 121.20 121.28 2blr s ILE 102 Ca 0.13 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2blr s ILE 102 Cb -0.04 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2blr s ILE 102 CO 0.06 0.49 -0.14 -0.55 0.00 0.00 0.00 174.94 174.80 2blr s SER 103 N -1.05 1.69 -0.06 3.58 0.15 -0.29 -1.27 113.70 116.45 2blr s SER 103 Ca 0.13 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.67 2blr s SER 103 Cb -0.11 -0.24 0.48 0.00 -1.71 0.00 0.00 66.02 64.44 2blr s SER 103 CO 0.03 0.16 1.40 0.59 1.20 0.00 0.00 173.24 176.63 2blr n ASN 104 N 2.82 3.63 0.16 5.45 5.03 0.40 -1.84 115.26 130.92 2blr n ASN 104 Ca -0.15 -2.29 0.08 0.00 0.87 0.00 0.00 54.58 53.09 2blr n ASN 104 Cb 0.55 -0.40 0.58 0.00 -1.02 0.00 0.00 39.78 39.49 2blr n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2blr h ILE 105 N 2.70 1.01 -0.70 2.41 2.04 -1.81 -0.75 117.51 122.42 2blr h ILE 105 Ca 0.00 -0.06 -0.29 0.00 1.00 0.00 0.00 64.86 65.51 2blr h ILE 105 Cb 1.05 0.83 -0.17 0.00 -0.74 0.00 0.00 36.82 37.79 2blr h ILE 105 CO 0.09 0.03 0.30 0.29 0.00 0.00 0.00 178.15 178.86 2blr n LYS 106 N -4.51 2.72 0.00 2.37 4.76 -1.26 -4.71 118.16 117.53 2blr n LYS 106 Ca -0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 2blr n LYS 106 Cb 0.11 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 2blr n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2blr n GLY 107 N -0.75 -2.12 2.84 0.72 0.00 -0.29 -1.36 105.19 104.23 2blr n GLY 107 Ca 0.44 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 2blr n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2blr s PHE 108 N -0.10 0.24 0.00 1.61 2.19 -0.35 -3.16 117.98 118.40 2blr s PHE 108 Ca 0.00 0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.27 2blr s PHE 108 Cb 0.00 -0.30 0.00 0.00 -1.31 0.00 0.00 43.02 41.41 2blr s PHE 108 CO 0.00 -0.09 0.00 0.27 1.83 0.00 0.00 175.22 177.23 2blr n ASN 109 N 3.82 0.62 -4.07 6.13 2.04 -1.26 -0.68 115.26 121.85 2blr n ASN 109 Ca -0.23 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 53.70 2blr n ASN 109 Cb 0.53 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.63 2blr n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2blr s VAL 110 N -1.98 0.97 0.79 3.53 1.01 -1.26 -4.84 120.40 118.62 2blr s VAL 110 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 2blr s VAL 110 Cb 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.63 2blr s VAL 110 CO 0.00 0.28 1.10 -2.16 0.00 0.00 0.00 175.10 174.32 2blr s PRO 111 N -0.18 2.11 -0.20 2.72 0.04 -1.26 -4.65 135.00 133.57 2blr s PRO 111 Ca 0.03 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 2blr s PRO 111 Cb -0.06 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2blr s PRO 111 CO -0.00 -1.76 0.53 1.41 0.04 0.00 0.00 177.00 177.22 2blr s MET 112 N -4.88 0.60 -0.03 4.56 1.75 -0.12 -0.96 119.30 120.21 2blr s MET 112 Ca 0.62 0.78 0.07 0.00 -1.25 0.00 0.00 55.69 55.91 2blr s MET 112 Cb -0.18 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 2blr s MET 112 CO 0.56 -0.09 -0.22 1.21 -0.65 0.00 0.00 175.02 175.83 2blr s ASN 113 N 0.52 3.35 -0.26 1.11 2.47 -0.03 -0.72 114.94 121.38 2blr s ASN 113 Ca -0.02 -0.39 -0.01 0.00 0.42 0.00 0.00 52.86 52.85 2blr s ASN 113 Cb -0.04 -0.53 0.08 0.00 -1.45 0.00 0.00 41.25 39.30 2blr s ASN 113 CO -0.03 0.32 0.06 0.12 -3.72 0.00 0.00 177.10 173.86 2blr s PHE 114 N -0.60 1.49 0.06 0.43 5.36 0.20 -0.73 117.98 124.18 2blr s PHE 114 Ca 0.09 -1.39 0.05 0.00 -0.96 0.00 0.00 56.93 54.72 2blr s PHE 114 Cb -0.10 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.12 2blr s PHE 114 CO -0.00 -0.77 -0.13 -1.12 -1.46 0.00 0.00 175.22 171.74 2blr s SER 115 N 1.70 1.53 0.51 6.13 0.01 -0.59 -1.19 113.70 121.79 2blr s SER 115 Ca 0.04 -0.59 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 2blr s SER 115 Cb -0.17 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 2blr s SER 115 CO -0.17 -0.09 1.14 -2.16 0.41 0.00 0.00 173.24 172.36 2blr s PRO 116 N -1.67 3.50 0.00 12.44 0.04 -1.26 -0.53 135.00 147.51 2blr s PRO 116 Ca -0.03 1.65 0.20 0.00 0.04 0.00 0.00 61.00 62.86 2blr s PRO 116 Cb -0.10 -2.13 0.14 0.00 0.04 0.00 0.00 34.50 32.45 2blr s PRO 116 CO 0.02 -0.74 1.11 0.25 0.04 0.00 0.00 177.00 177.68 2blr n THR 117 N -1.03 0.00 -4.71 1.26 -2.24 0.27 -4.75 114.28 103.08 2blr n THR 117 Ca 0.10 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 2blr n THR 117 Cb 0.50 1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 70.04 2blr n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2blr s THR 118 N -1.71 1.42 0.63 4.28 -4.23 -1.25 -4.97 115.64 109.82 2blr s THR 118 Ca 0.22 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 2blr s THR 118 Cb 0.16 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2blr s THR 118 CO 0.27 0.00 1.04 -0.13 -0.54 0.00 0.00 174.62 175.26 2blr s ARG 119 N -3.82 3.50 0.00 3.99 0.52 -1.26 -4.64 118.95 117.23 2blr s ARG 119 Ca 0.15 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 2blr s ARG 119 Cb 0.04 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2blr s ARG 119 CO 0.08 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.18 2blr n GLY 120 N -2.78 0.86 3.76 -3.53 0.00 -1.26 -4.63 105.19 97.61 2blr n GLY 120 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2blr n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2blr s ARG 122 N -3.30 2.99 0.66 0.00 1.70 -1.26 -4.79 118.95 114.96 2blr s ARG 122 Ca 0.12 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2blr s ARG 122 Cb -0.01 -2.78 0.09 0.00 -0.57 0.00 0.00 34.95 31.68 2blr s ARG 122 CO 0.02 -0.05 0.91 0.20 -1.08 0.00 0.00 175.30 175.30 2blr s GLY 123 N -4.23 1.78 0.11 3.88 0.00 -1.26 -4.58 107.32 103.02 2blr s GLY 123 Ca 0.48 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.67 2blr s GLY 123 CO 0.31 -1.13 -0.16 -1.34 0.00 0.00 0.00 173.10 170.78 2blr s VAL 124 N -3.00 1.40 -0.09 1.40 -7.23 -0.34 -4.98 120.40 107.56 2blr s VAL 124 Ca 0.63 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 2blr s VAL 124 Cb -0.07 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.47 2blr s VAL 124 CO 0.42 -0.26 0.30 -0.60 -0.31 0.00 0.00 175.10 174.65 2blr s ARG 125 N -2.21 0.40 -0.35 4.82 3.52 -1.26 -0.63 118.95 123.23 2blr s ARG 125 Ca 0.06 0.30 -0.00 0.00 -0.13 0.00 0.00 55.73 55.95 2blr s ARG 125 Cb -0.08 0.19 0.12 0.00 -1.56 0.00 0.00 34.95 33.62 2blr s ARG 125 CO 0.03 -0.06 0.18 0.00 -0.81 0.00 0.00 175.30 174.64 2blr n ALA 127 N 4.33 2.03 -1.10 0.00 0.00 -1.26 -0.95 120.51 123.56 2blr n ALA 127 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 2blr n ALA 127 Cb 0.38 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.99 2blr n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2blr s ALA 128 N -0.52 1.35 -1.40 0.00 0.00 -1.26 -4.90 121.76 115.02 2blr s ALA 128 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2blr s ALA 128 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.98 2blr s ALA 128 CO 0.00 -2.53 2.31 -3.47 0.00 0.00 0.00 175.76 172.07 2blr n ASP 129 N -4.01 6.30 -0.27 0.00 2.03 -1.26 -4.71 116.55 114.62 2blr n ASP 129 Ca 0.07 -2.94 -0.02 0.00 0.52 0.00 0.00 54.79 52.41 2blr n ASP 129 Cb 0.55 -1.51 0.15 0.00 -0.72 0.00 0.00 41.12 39.59 2blr n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2blr h ILE 130 N 3.36 1.24 -0.21 5.18 2.04 -1.97 -1.72 117.51 125.43 2blr h ILE 130 Ca 0.61 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2blr h ILE 130 Cb 0.48 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2blr h ILE 130 CO 1.69 0.27 0.05 0.58 0.00 0.00 0.00 178.15 180.74 2blr h VAL 131 N 1.13 1.21 -0.35 1.67 2.07 -1.89 -0.22 116.25 119.87 2blr h VAL 131 Ca 0.29 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2blr h VAL 131 Cb 0.03 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2blr h VAL 131 CO -0.05 0.21 0.06 1.23 0.02 0.00 0.00 177.57 179.04 2blr h GLY 132 N 0.16 0.56 -0.54 2.17 0.00 -1.90 -2.90 103.07 100.62 2blr h GLY 132 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2blr h GLY 132 CO 0.00 0.28 -0.21 -1.06 0.00 0.00 0.00 176.54 175.55 2blr n GLN 133 N -4.33 1.34 -1.60 4.80 1.13 -0.67 -5.00 117.38 113.06 2blr n GLN 133 Ca 0.02 -0.94 -0.48 0.00 -1.94 0.00 0.00 57.00 53.66 2blr n GLN 133 Cb 0.20 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 2blr n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2blr n PRO 135 N 1.89 1.82 -0.25 0.00 -0.02 -1.26 -4.81 135.00 132.36 2blr n PRO 135 Ca 0.14 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.33 2blr n PRO 135 Cb 0.26 -2.19 0.19 0.00 -0.02 0.00 0.00 33.50 31.74 2blr n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2blr h ALA 136 N 2.21 1.02 0.00 3.55 0.00 -1.98 -0.27 119.26 123.79 2blr h ALA 136 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2blr h ALA 136 Cb 1.30 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2blr h ALA 136 CO 0.61 -0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.42 2blr h LYS 137 N 0.32 0.00 0.00 0.00 1.57 -2.02 -2.92 116.57 113.53 2blr h LYS 137 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2blr h LYS 137 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2blr h LYS 137 CO -0.48 0.00 -0.85 1.28 -0.57 0.00 0.00 179.45 178.83 2blr n LEU 138 N -2.72 0.84 -4.73 2.94 4.77 -0.14 -4.97 117.00 112.99 2blr n LEU 138 Ca 0.01 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 2blr n LEU 138 Cb 0.28 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2blr n LEU 138 CO 0.24 0.21 1.21 -0.54 -1.33 0.00 0.00 177.39 177.18 2blr s LYS 139 N -3.00 4.20 -0.22 3.23 1.02 -1.04 -0.41 119.74 123.52 2blr s LYS 139 Ca 0.09 2.41 -0.18 0.00 0.02 0.00 0.00 55.97 58.31 2blr s LYS 139 Cb 0.16 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2blr s LYS 139 CO 0.82 -0.57 0.49 0.00 -0.92 0.00 0.00 175.35 175.17 2blr s ALA 140 N 0.63 3.56 0.48 5.17 0.00 -0.69 -4.84 121.76 126.06 2blr s ALA 140 Ca 0.66 -0.50 0.21 0.00 0.00 0.00 0.00 51.96 52.33 2blr s ALA 140 Cb -0.44 -2.81 1.33 0.00 0.00 0.00 0.00 23.12 21.20 2blr s ALA 140 CO 0.38 -0.53 2.09 -1.35 0.00 0.00 0.00 175.76 176.35 2blr h PRO 141 N 7.66 0.00 0.00 0.00 0.11 -1.92 0.16 132.00 138.00 2blr h PRO 141 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2blr h PRO 141 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2blr h PRO 141 CO 0.72 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2blr n GLY 142 N -1.05 -1.06 0.00 -0.55 0.00 -1.26 -4.99 105.19 96.29 2blr n GLY 142 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2blr n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blr n GLY 143 N 0.39 3.37 0.52 -0.02 0.00 0.55 -4.68 105.19 105.32 2blr n GLY 143 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2blr n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blr n GLY 144 N -0.13 -3.18 2.95 -0.02 0.00 -1.26 -4.55 105.19 99.00 2blr n GLY 144 Ca 0.00 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 2blr n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2blr s ASN 146 N 1.31 5.55 0.67 0.00 0.01 0.45 -1.22 114.94 121.72 2blr s ASN 146 Ca -0.03 1.99 -0.11 0.00 -0.71 0.00 0.00 52.86 54.00 2blr s ASN 146 Cb -0.19 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 2blr s ASN 146 CO -0.08 -1.33 1.05 1.51 -1.51 0.00 0.00 177.10 176.75 2blr s ASP 147 N -2.37 5.61 0.39 -1.22 -4.77 -1.26 -4.82 116.67 108.22 2blr s ASP 147 Ca 0.68 1.57 0.18 0.00 -3.30 0.00 0.00 52.55 51.67 2blr s ASP 147 Cb -0.20 -2.49 0.77 0.00 -1.09 0.00 0.00 42.92 39.92 2blr s ASP 147 CO 0.35 -1.29 1.80 0.00 0.70 0.00 0.00 175.17 176.72 2blr h ALA 148 N -0.59 1.14 0.08 2.11 0.00 -1.92 -2.71 119.26 117.36 2blr h ALA 148 Ca -0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2blr h ALA 148 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2blr h ALA 148 CO 0.58 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 180.24 2blr h THR 150 N -0.23 0.60 -0.04 0.00 2.02 -1.86 0.32 112.91 113.72 2blr h THR 150 Ca -0.01 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 2blr h THR 150 Cb 0.19 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2blr h THR 150 CO 0.02 0.05 -0.61 0.58 0.37 0.00 0.00 175.52 175.93 2blr h VAL 151 N 0.27 1.39 0.00 3.16 2.07 -1.32 -3.40 116.25 118.41 2blr h VAL 151 Ca 0.35 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2blr h VAL 151 Cb 0.53 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2blr h VAL 151 CO -0.43 0.59 -1.07 0.49 0.02 0.00 0.00 177.57 177.17 2blr n PHE 152 N -4.18 0.00 -3.72 1.57 3.72 -0.23 -5.03 117.46 109.59 2blr n PHE 152 Ca -0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.07 2blr n PHE 152 Cb 0.67 -0.13 0.04 0.00 -0.94 0.00 0.00 39.48 39.12 2blr n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2blr n GLN 153 N -1.61 -5.58 -4.08 -1.08 1.13 0.09 -4.99 117.38 101.26 2blr n GLN 153 Ca -0.01 0.66 -0.25 0.00 -1.94 0.00 0.00 57.00 55.47 2blr n GLN 153 Cb 0.19 -5.41 -0.05 0.00 0.11 0.00 0.00 30.24 25.08 2blr n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2blr s THR 154 N -3.50 4.53 0.33 5.09 -4.23 -1.26 -5.01 115.64 111.58 2blr s THR 154 Ca 0.23 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2blr s THR 154 Cb -0.11 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.63 2blr s THR 154 CO 0.80 -0.20 1.98 -1.28 -0.54 0.00 0.00 174.62 175.38 2blr h SER 155 N 2.04 0.83 -0.39 3.99 0.87 -1.96 -0.65 113.55 118.28 2blr h SER 155 Ca -0.48 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.01 2blr h SER 155 Cb 1.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2blr h SER 155 CO 0.62 0.59 0.04 -0.08 -0.53 0.00 0.00 176.83 177.48 2blr h GLU 156 N 0.97 0.67 -0.02 2.24 4.57 -1.97 0.24 114.58 121.28 2blr h GLU 156 Ca 0.29 -0.19 -0.21 0.00 -1.18 0.00 0.00 59.36 58.07 2blr h GLU 156 Cb -0.04 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2blr h GLU 156 CO -0.07 0.73 -0.88 1.88 -1.18 0.00 0.00 179.01 179.48 2blr h TYR 157 N 0.51 0.53 0.00 0.92 0.05 -1.86 -3.29 116.97 113.84 2blr h TYR 157 Ca 0.12 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.62 2blr h TYR 157 Cb 0.40 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2blr h TYR 157 CO 0.03 1.08 -0.49 0.00 -1.05 0.00 0.00 178.16 177.73 2blr h THR 160 N -2.20 1.26 -0.00 0.00 2.02 -1.78 -2.83 112.91 109.38 2blr h THR 160 Ca -0.59 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2blr h THR 160 Cb 1.36 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2blr h THR 160 CO 0.57 0.34 -0.33 0.35 0.37 0.00 0.00 175.52 176.82 2blr n THR 161 N -4.27 0.00 -1.01 3.16 -2.24 -1.26 -4.95 114.28 103.71 2blr n THR 161 Ca 0.06 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2blr n THR 161 Cb 0.21 0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2blr n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2blr n GLY 162 N 1.49 0.46 0.67 3.38 0.00 -1.07 -4.98 105.19 105.14 2blr n GLY 162 Ca 0.06 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2blr n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2blr n LYS 163 N -2.62 2.80 -1.76 1.61 5.02 -1.26 -5.09 118.16 116.87 2blr n LYS 163 Ca -0.00 -2.06 -0.31 0.00 -2.02 0.00 0.00 58.31 53.91 2blr n LYS 163 Cb 0.06 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2blr n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2blr s GLY 165 N -3.71 2.74 0.80 0.00 0.00 -1.26 -4.87 107.32 101.02 2blr s GLY 165 Ca 0.58 -0.63 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 2blr s GLY 165 CO 0.51 -2.08 1.15 2.56 0.00 0.00 0.00 173.10 175.24 2blr s PRO 166 N -4.11 1.84 0.20 2.90 0.04 -1.26 -4.97 135.00 129.63 2blr s PRO 166 Ca 0.17 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.75 2blr s PRO 166 Cb -0.01 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2blr s PRO 166 CO 0.11 -2.02 0.07 0.95 0.04 0.00 0.00 177.00 176.15 2blr s THR 167 N -2.44 0.44 0.21 1.26 -4.23 -1.26 -5.00 115.64 104.63 2blr s THR 167 Ca 0.68 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2blr s THR 167 Cb -0.24 -2.36 0.19 0.00 1.34 0.00 0.00 72.50 71.44 2blr s THR 167 CO 0.51 -0.22 1.67 -0.33 -0.54 0.00 0.00 174.62 175.71 2blr h GLU 168 N 2.59 0.12 -0.25 3.99 5.08 -1.99 -0.20 114.58 123.93 2blr h GLU 168 Ca -0.37 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2blr h GLU 168 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2blr h GLU 168 CO 0.60 0.08 -0.03 1.88 -1.00 0.00 0.00 179.01 180.54 2blr h TYR 169 N 0.12 0.50 -0.64 4.33 0.05 -2.00 -2.38 116.97 116.96 2blr h TYR 169 Ca 0.32 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2blr h TYR 169 Cb 0.52 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2blr h TYR 169 CO -0.36 0.65 0.32 0.66 -1.05 0.00 0.00 178.16 178.38 2blr h SER 170 N 0.21 0.81 0.39 3.88 4.64 -1.73 -2.23 113.55 119.53 2blr h SER 170 Ca 0.07 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2blr h SER 170 Cb 0.47 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2blr h SER 170 CO 0.02 0.68 -0.24 0.03 -0.87 0.00 0.00 176.83 176.45 2blr h ARG 171 N 0.91 0.00 -0.10 4.77 3.08 -0.74 -0.74 114.38 121.55 2blr h ARG 171 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2blr h ARG 171 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2blr h ARG 171 CO -0.03 0.24 0.04 0.35 -1.07 0.00 0.00 179.97 179.50 2blr h PHE 172 N 0.00 0.16 -0.60 3.04 3.57 -0.89 0.53 116.94 122.76 2blr h PHE 172 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2blr h PHE 172 Cb 0.51 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2blr h PHE 172 CO 0.00 0.28 0.12 0.74 -2.23 0.00 0.00 178.31 177.23 2blr h PHE 173 N -0.01 0.98 -0.44 0.41 0.04 -1.31 -2.07 116.94 114.54 2blr h PHE 173 Ca 0.03 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 2blr h PHE 173 Cb 0.19 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2blr h PHE 173 CO -0.01 0.83 -0.22 -0.22 -0.60 0.00 0.00 178.31 178.09 2blr h LYS 174 N 0.90 0.89 -0.02 1.51 1.63 -1.01 0.68 116.57 121.15 2blr h LYS 174 Ca 0.19 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2blr h LYS 174 Cb 0.35 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2blr h LYS 174 CO 0.00 1.02 0.01 -0.09 -3.45 0.00 0.00 179.45 176.95 2blr h ARG 175 N 0.77 0.03 -0.26 1.90 2.43 -0.61 -2.06 114.38 116.59 2blr h ARG 175 Ca 0.10 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2blr h ARG 175 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2blr h ARG 175 CO 0.06 0.11 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.25 2blr h LEU 176 N -0.05 0.57 -6.49 3.80 -0.00 -1.27 -3.39 115.31 108.47 2blr h LEU 176 Ca 0.01 -0.22 -0.59 0.00 -0.00 0.00 0.00 57.88 57.07 2blr h LEU 176 Cb 0.09 -0.16 -0.39 0.00 -0.00 0.00 0.00 40.66 40.20 2blr h LEU 176 CO -0.00 0.85 -0.91 0.00 -0.00 0.00 0.00 178.44 178.38 2blr h PRO 178 N 5.88 0.00 -0.18 0.00 0.11 -1.58 -2.89 132.00 133.34 2blr h PRO 178 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2blr h PRO 178 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2blr h PRO 178 CO 0.39 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.71 2blr n ASP 179 N -3.61 1.78 -4.38 -2.05 2.03 -1.26 -4.86 116.55 104.20 2blr n ASP 179 Ca -0.03 -1.73 -0.30 0.00 0.52 0.00 0.00 54.79 53.26 2blr n ASP 179 Cb 0.08 -0.11 -0.14 0.00 -0.72 0.00 0.00 41.12 40.23 2blr n ASP 179 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2blr s ALA 180 N -1.77 2.35 0.20 -1.67 0.00 -1.09 -4.57 121.76 115.20 2blr s ALA 180 Ca 0.33 -1.38 -0.32 0.00 0.00 0.00 0.00 51.96 50.59 2blr s ALA 180 Cb 0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 23.12 22.73 2blr s ALA 180 CO 0.27 0.54 1.70 1.19 0.00 0.00 0.00 175.76 179.46 2blr n PHE 181 N 1.28 2.67 0.15 0.00 3.01 -0.40 -4.81 117.46 119.35 2blr n PHE 181 Ca -0.17 0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.43 2blr n PHE 181 Cb 0.53 -2.65 -0.10 0.00 -0.01 0.00 0.00 39.48 37.24 2blr n PHE 181 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2blr n SER 182 N 3.91 1.48 -3.87 4.37 3.41 -1.26 -0.45 113.62 121.21 2blr n SER 182 Ca 0.16 -0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.50 2blr n SER 182 Cb 0.34 1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 2blr n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2blr s TYR 183 N -2.82 -0.12 0.25 7.33 1.13 -1.26 -4.62 117.35 117.24 2blr s TYR 183 Ca -0.03 -0.32 -0.06 0.00 -1.41 0.00 0.00 57.07 55.26 2blr s TYR 183 Cb 0.09 0.62 0.26 0.00 -1.10 0.00 0.00 41.96 41.84 2blr s TYR 183 CO 0.59 -1.19 1.87 0.28 -2.51 0.00 0.00 175.55 174.59 2blr h VAL 184 N 2.04 1.25 -0.64 -3.49 2.07 -1.93 -2.37 116.25 113.18 2blr h VAL 184 Ca -0.21 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2blr h VAL 184 Cb 1.25 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2blr h VAL 184 CO 0.26 0.28 0.13 0.18 0.02 0.00 0.00 177.57 178.43 2blr n LEU 185 N -4.33 5.84 -4.71 2.57 4.77 -1.26 -4.99 117.00 114.89 2blr n LEU 185 Ca 0.09 -3.00 -0.36 0.00 -0.03 0.00 0.00 56.01 52.71 2blr n LEU 185 Cb 0.10 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.56 2blr n LEU 185 CO 0.39 0.70 0.84 -0.67 -1.33 0.00 0.00 177.39 177.32 2blr n ASP 186 N 0.27 1.70 -4.68 -1.43 -0.08 -0.90 -4.88 116.55 106.57 2blr n ASP 186 Ca 0.33 0.76 -0.45 0.00 -1.51 0.00 0.00 54.79 53.93 2blr n ASP 186 Cb 1.27 -1.53 -0.04 0.00 2.34 0.00 0.00 41.12 43.16 2blr n ASP 186 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2blr n LYS 187 N -2.20 2.54 -1.77 -0.67 4.81 -1.26 -4.85 118.16 114.76 2blr n LYS 187 Ca 0.15 0.93 -0.41 0.00 -0.87 0.00 0.00 58.31 58.11 2blr n LYS 187 Cb 0.49 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.73 2blr n LYS 187 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2blr n PRO 188 N 6.24 2.63 -0.55 1.64 -0.02 -1.26 -4.92 135.00 138.76 2blr n PRO 188 Ca 0.20 0.92 0.04 0.00 -2.02 0.00 0.00 63.50 62.64 2blr n PRO 188 Cb 0.35 -2.66 0.20 0.00 -0.02 0.00 0.00 33.50 31.37 2blr n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2blr n THR 189 N 0.38 2.28 -2.39 3.45 -2.24 -1.26 -5.04 114.28 109.45 2blr n THR 189 Ca 0.02 -2.74 -0.41 0.00 -2.27 0.00 0.00 64.05 58.65 2blr n THR 189 Cb 0.39 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 2blr n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2blr s THR 190 N -3.13 3.58 -0.15 4.28 2.01 -1.26 -4.76 115.64 116.21 2blr s THR 190 Ca 0.40 1.35 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 2blr s THR 190 Cb 0.36 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2blr s THR 190 CO -0.01 0.23 0.04 -0.69 -0.69 0.00 0.00 174.62 173.49 2blr s VAL 191 N -0.18 4.57 -0.21 3.82 1.01 0.22 -4.94 120.40 124.68 2blr s VAL 191 Ca 0.52 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2blr s VAL 191 Cb -0.32 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2blr s VAL 191 CO 0.37 0.52 0.56 -0.89 0.00 0.00 0.00 175.10 175.66 2blr s THR 192 N -0.07 5.07 0.28 3.92 2.01 -1.26 -1.57 115.64 124.01 2blr s THR 192 Ca 0.05 1.02 0.10 0.00 0.31 0.00 0.00 61.69 63.17 2blr s THR 192 Cb -0.12 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2blr s THR 192 CO 0.01 0.13 -0.06 0.00 -0.69 0.00 0.00 174.62 174.01 2blr n PRO 194 N -0.82 1.44 -1.70 0.00 -0.02 -1.26 -0.72 135.00 131.92 2blr n PRO 194 Ca -0.06 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2blr n PRO 194 Cb 0.60 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.98 2blr n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2blr n GLY 195 N 1.12 0.54 2.27 -1.23 0.00 -0.94 -2.38 105.19 104.57 2blr n GLY 195 Ca 0.09 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 2blr n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2blr n SER 196 N 0.37 -4.17 -4.71 1.61 7.64 -1.26 -4.90 113.62 108.19 2blr n SER 196 Ca 0.06 -0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 2blr n SER 196 Cb 0.39 -3.34 0.14 0.00 -1.01 0.00 0.00 64.21 60.39 2blr n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2blr s SER 197 N -2.42 3.38 0.30 6.43 0.01 -1.00 -4.99 113.70 115.41 2blr s SER 197 Ca 0.01 1.49 0.10 0.00 1.31 0.00 0.00 55.95 58.86 2blr s SER 197 Cb -0.00 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 2blr s SER 197 CO 0.01 -2.70 -0.08 0.20 0.41 0.00 0.00 173.24 171.09 2blr s ASN 198 N -3.39 4.04 0.12 2.44 0.01 -1.26 -4.64 114.94 112.26 2blr s ASN 198 Ca 0.64 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.82 2blr s ASN 198 Cb -0.18 -0.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.93 2blr s ASN 198 CO 0.57 -0.06 0.14 -0.31 -1.51 0.00 0.00 177.10 175.93 2blr s TYR 199 N -2.46 0.57 -0.04 2.20 2.02 -0.54 -0.57 117.35 118.53 2blr s TYR 199 Ca 0.32 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 2blr s TYR 199 Cb -0.04 -0.27 0.02 0.00 -0.40 0.00 0.00 41.96 41.27 2blr s TYR 199 CO 0.18 -0.57 -0.06 0.50 -1.57 0.00 0.00 175.55 174.02 2blr s ARG 200 N -3.98 0.98 -0.24 -0.62 3.52 0.31 -1.12 118.95 117.80 2blr s ARG 200 Ca 0.17 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 2blr s ARG 200 Cb 0.06 -0.92 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 2blr s ARG 200 CO -0.02 -0.03 0.02 0.08 -0.81 0.00 0.00 175.30 174.55 2blr s VAL 201 N 0.72 3.90 -0.19 7.11 1.01 0.17 -1.54 120.40 131.58 2blr s VAL 201 Ca -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2blr s VAL 201 Cb -0.14 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2blr s VAL 201 CO 0.01 0.36 -0.11 -0.89 0.00 0.00 0.00 175.10 174.47 2blr s THR 202 N 1.55 2.91 0.11 3.92 2.01 0.09 -0.52 115.64 125.72 2blr s THR 202 Ca 0.06 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 2blr s THR 202 Cb -0.15 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 2blr s THR 202 CO 0.01 0.47 0.79 -0.36 -0.69 0.00 0.00 174.62 174.84 2blr s PHE 203 N 1.25 3.83 -1.13 4.92 0.08 0.02 -0.85 117.98 126.08 2blr s PHE 203 Ca 0.03 1.58 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 2blr s PHE 203 Cb -0.14 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2blr s PHE 203 CO -0.05 0.38 0.84 0.00 -0.10 0.00 0.00 175.22 176.29 2blr h PRO 205 N -1.56 0.00 0.00 0.00 0.13 -1.80 -3.40 132.00 125.37 2blr h PRO 205 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2blr h PRO 205 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2blr h PRO 205 CO 0.48 0.18 0.00 0.25 -0.23 0.00 0.00 178.00 178.68