#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkr n ASP 2 N 0.00 0.72 -4.78 6.12 2.03 -1.26 -5.03 116.55 114.35 2bkr n ASP 2 Ca 0.00 -2.67 -0.34 0.00 0.52 0.00 0.00 54.79 52.31 2bkr n ASP 2 Cb 0.00 -0.62 0.02 0.00 -0.72 0.00 0.00 41.12 39.79 2bkr n ASP 2 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2bkr s PRO 3 N -0.50 3.20 0.25 -0.67 0.02 -1.26 -4.55 135.00 131.49 2bkr s PRO 3 Ca 0.30 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 2bkr s PRO 3 Cb 0.02 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 2bkr s PRO 3 CO -0.19 -0.94 1.34 0.08 -0.33 0.00 0.00 177.00 176.96 2bkr s VAL 4 N -2.14 2.95 -0.20 3.83 1.01 -1.26 -0.96 120.40 123.62 2bkr s VAL 4 Ca 0.68 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.40 2bkr s VAL 4 Cb -0.20 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2bkr s VAL 4 CO 0.33 0.15 -0.25 0.52 0.00 0.00 0.00 175.10 175.85 2bkr n VAL 5 N 2.06 1.08 -3.81 2.92 0.31 0.62 -4.84 118.33 116.67 2bkr n VAL 5 Ca 0.05 -0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 63.94 2bkr n VAL 5 Cb 0.42 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.47 2bkr n VAL 5 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2bkr s LEU 6 N -7.00 1.19 -0.29 7.52 2.96 -0.85 -4.70 118.68 117.52 2bkr s LEU 6 Ca -0.27 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2bkr s LEU 6 Cb 0.10 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.72 2bkr s LEU 6 CO 0.35 -0.11 0.05 -0.55 -1.32 0.00 0.00 176.35 174.78 2bkr s SER 7 N 0.94 4.98 -0.23 3.68 0.15 -1.26 -0.39 113.70 121.57 2bkr s SER 7 Ca -0.08 -0.74 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 2bkr s SER 7 Cb -0.12 -1.84 0.07 0.00 -1.71 0.00 0.00 66.02 62.43 2bkr s SER 7 CO -0.02 -0.18 0.06 -0.47 1.20 0.00 0.00 173.24 173.82 2bkr s TYR 8 N 1.47 1.08 0.00 3.44 6.14 0.05 -5.02 117.35 124.50 2bkr s TYR 8 Ca 0.02 -1.03 0.00 0.00 0.64 0.00 0.00 57.07 56.70 2bkr s TYR 8 Cb -0.17 -1.15 0.00 0.00 0.42 0.00 0.00 41.96 41.06 2bkr s TYR 8 CO 0.01 -0.69 0.00 -1.33 0.64 0.00 0.00 175.55 174.18 2bkr n MET 9 N 5.03 0.00 0.00 4.97 2.81 -1.26 -0.26 117.12 128.41 2bkr n MET 9 Ca -0.07 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 55.97 2bkr n MET 9 Cb 0.46 0.00 0.70 0.00 -0.71 0.00 0.00 33.22 33.66 2bkr n MET 9 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2bkr n ASP 10 N 5.57 0.48 -4.87 7.83 8.00 -1.26 -4.87 116.55 127.43 2bkr n ASP 10 Ca 0.00 -0.81 -0.35 0.00 0.71 0.00 0.00 54.79 54.34 2bkr n ASP 10 Cb 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2bkr n ASP 10 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bkr s SER 11 N -2.28 6.60 -0.07 -2.24 0.01 0.64 -5.07 113.70 111.30 2bkr s SER 11 Ca 0.35 0.73 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 2bkr s SER 11 Cb 0.21 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.31 2bkr s SER 11 CO 0.42 0.19 -0.03 -0.22 0.41 0.00 0.00 173.24 174.01 2bkr s LEU 12 N -1.90 0.99 -0.13 2.44 2.96 -1.26 -0.77 118.68 121.00 2bkr s LEU 12 Ca 0.32 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2bkr s LEU 12 Cb -0.14 -0.51 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 2bkr s LEU 12 CO 0.18 -0.12 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.16 2bkr s LEU 13 N 1.49 2.44 0.50 -0.68 1.43 0.48 -4.98 118.68 119.35 2bkr s LEU 13 Ca -0.02 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2bkr s LEU 13 Cb -0.13 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2bkr s LEU 13 CO -0.03 0.13 0.49 -0.13 0.23 0.00 0.00 176.35 177.03 2bkr s ARG 14 N 0.56 2.40 0.27 1.70 0.52 -1.26 -0.28 118.95 122.86 2bkr s ARG 14 Ca -0.10 -1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 53.37 2bkr s ARG 14 Cb -0.16 -2.36 0.43 0.00 0.52 0.00 0.00 34.95 33.38 2bkr s ARG 14 CO 0.04 -0.50 1.87 0.37 0.02 0.00 0.00 175.30 177.11 2bkr h GLN 15 N 0.72 1.11 -0.63 3.54 5.75 -1.29 -1.20 115.11 123.12 2bkr h GLN 15 Ca -0.37 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2bkr h GLN 15 Cb 1.28 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 2bkr h GLN 15 CO 0.53 0.74 0.38 0.66 -2.65 0.00 0.00 178.83 178.48 2bkr h SER 16 N 1.15 0.75 -0.05 -0.69 4.64 -1.91 -1.29 113.55 116.15 2bkr h SER 16 Ca 0.44 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 2bkr h SER 16 Cb 0.22 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2bkr h SER 16 CO -0.19 0.58 -0.00 0.44 -0.87 0.00 0.00 176.83 176.79 2bkr h ASP 17 N 0.86 0.09 -0.23 4.97 3.32 -1.62 -3.25 116.42 120.56 2bkr h ASP 17 Ca 0.23 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 2bkr h ASP 17 Cb -0.03 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2bkr h ASP 17 CO -0.04 0.39 -0.01 0.58 -1.72 0.00 0.00 179.24 178.44 2bkr h VAL 18 N -0.23 1.20 -0.11 -1.35 2.07 -1.17 -1.82 116.25 114.85 2bkr h VAL 18 Ca 0.01 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2bkr h VAL 18 Cb 0.35 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2bkr h VAL 18 CO 0.00 0.27 0.11 0.28 0.02 0.00 0.00 177.57 178.25 2bkr h SER 19 N 0.51 0.00 0.73 0.57 0.02 -1.28 -2.06 113.55 112.03 2bkr h SER 19 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2bkr h SER 19 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2bkr h SER 19 CO 0.01 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 2bkr n LEU 20 N -4.00 0.64 0.03 5.07 4.77 -0.68 -1.73 117.00 121.09 2bkr n LEU 20 Ca -0.00 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 2bkr n LEU 20 Cb 0.22 -0.57 0.44 0.00 -2.33 0.00 0.00 43.42 41.18 2bkr n LEU 20 CO 0.29 -0.54 0.84 0.18 -1.33 0.00 0.00 177.39 176.83 2bkr n LEU 21 N -2.20 0.19 -4.65 2.23 4.77 -0.77 -4.48 117.00 112.08 2bkr n LEU 21 Ca 0.02 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 2bkr n LEU 21 Cb 0.23 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2bkr n LEU 21 CO 0.20 -0.21 0.80 -1.81 -1.33 0.00 0.00 177.39 175.03 2bkr s ASP 22 N -3.35 6.96 0.61 -1.43 1.01 -0.70 -4.73 116.67 115.03 2bkr s ASP 22 Ca 0.09 1.19 -0.18 0.00 0.71 0.00 0.00 52.55 54.36 2bkr s ASP 22 Cb 0.13 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 2bkr s ASP 22 CO 0.40 -0.62 1.15 -2.16 0.21 0.00 0.00 175.17 174.15 2bkr s PRO 23 N 3.08 3.00 -0.18 8.23 0.04 -1.26 -2.10 135.00 145.80 2bkr s PRO 23 Ca 0.40 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.13 2bkr s PRO 23 Cb -0.15 -1.96 0.52 0.00 0.04 0.00 0.00 34.50 32.96 2bkr s PRO 23 CO 0.07 -1.14 1.37 -0.35 0.04 0.00 0.00 177.00 177.00 2bkr n PRO 24 N -1.82 3.26 -1.32 0.56 -0.04 -1.26 -5.12 135.00 129.26 2bkr n PRO 24 Ca 0.12 -2.06 -0.34 0.00 -0.04 0.00 0.00 63.50 61.18 2bkr n PRO 24 Cb 0.51 -1.97 0.11 0.00 -0.04 0.00 0.00 33.50 32.11 2bkr n PRO 24 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bkr s SER 25 N -0.51 3.99 0.03 3.54 0.01 -0.89 -4.76 113.70 115.11 2bkr s SER 25 Ca 0.36 2.36 -0.19 0.00 1.31 0.00 0.00 55.95 59.79 2bkr s SER 25 Cb 0.28 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 2bkr s SER 25 CO 0.10 -2.40 0.56 0.26 0.41 0.00 0.00 173.24 172.16 2bkr s TRP 26 N -2.04 3.75 0.46 2.43 0.52 -1.26 -4.87 118.94 117.94 2bkr s TRP 26 Ca 0.74 1.21 -0.23 0.00 0.02 0.00 0.00 56.10 57.84 2bkr s TRP 26 Cb -0.29 -2.52 -0.07 0.00 -1.15 0.00 0.00 33.47 29.44 2bkr s TRP 26 CO 0.47 0.50 1.17 -0.51 0.02 0.00 0.00 176.95 178.60 2bkr s LEU 27 N -0.74 4.01 0.58 2.99 1.43 -1.26 -4.88 118.68 120.80 2bkr s LEU 27 Ca 0.29 2.31 0.08 0.00 -1.03 0.00 0.00 54.13 55.77 2bkr s LEU 27 Cb -0.19 -4.25 0.08 0.00 0.03 0.00 0.00 46.19 41.86 2bkr s LEU 27 CO 0.18 -0.93 0.64 0.54 0.23 0.00 0.00 176.35 177.00 2bkr s ASN 28 N -1.36 4.83 0.27 2.29 4.22 -1.26 -4.93 114.94 119.00 2bkr s ASN 28 Ca 0.64 -1.09 -0.03 0.00 -2.14 0.00 0.00 52.86 50.24 2bkr s ASN 28 Cb -0.29 0.49 0.35 0.00 1.28 0.00 0.00 41.25 43.09 2bkr s ASN 28 CO 0.35 -1.31 1.84 -2.24 -2.04 0.00 0.00 177.10 173.70 2bkr h ASP 29 N 0.38 0.88 -0.68 3.54 3.04 -1.99 -2.72 116.42 118.88 2bkr h ASP 29 Ca -0.32 -0.13 0.09 0.00 -3.24 0.00 0.00 57.03 53.43 2bkr h ASP 29 Cb 1.30 -0.23 -0.07 0.00 -1.04 0.00 0.00 39.33 39.29 2bkr h ASP 29 CO 0.48 0.80 0.32 0.45 -2.04 0.00 0.00 179.24 179.24 2bkr h HIS 30 N 0.94 0.57 0.17 4.15 3.86 -1.95 0.18 115.15 123.07 2bkr h HIS 30 Ca 0.22 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2bkr h HIS 30 Cb 0.20 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2bkr h HIS 30 CO 0.02 0.20 -0.08 0.82 0.86 0.00 0.00 177.93 179.74 2bkr h ILE 31 N 0.55 0.94 -0.91 2.45 1.08 -1.84 -0.64 117.51 119.15 2bkr h ILE 31 Ca 0.33 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2bkr h ILE 31 Cb 0.36 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2bkr h ILE 31 CO -0.27 0.17 0.58 0.40 -0.69 0.00 0.00 178.15 178.33 2bkr h ILE 32 N -0.61 1.24 -0.40 -0.67 2.04 -1.40 -0.90 117.51 116.81 2bkr h ILE 32 Ca -0.02 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.41 2bkr h ILE 32 Cb 0.45 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2bkr h ILE 32 CO 0.04 0.24 0.10 1.23 0.00 0.00 0.00 178.15 179.76 2bkr h GLY 33 N 1.24 0.48 0.76 5.37 0.00 -0.62 -1.00 103.07 109.31 2bkr h GLY 33 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.65 2bkr h GLY 33 CO -0.07 -0.02 0.04 -2.75 0.00 0.00 0.00 176.54 173.74 2bkr h PHE 34 N 0.24 0.06 -0.68 5.60 3.57 -0.60 -0.12 116.94 125.00 2bkr h PHE 34 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2bkr h PHE 34 Cb 0.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2bkr h PHE 34 CO -0.18 0.02 0.41 0.00 -2.23 0.00 0.00 178.31 176.32 2bkr h ALA 35 N 1.15 0.89 -0.52 2.41 0.00 -0.70 0.68 119.26 123.17 2bkr h ALA 35 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2bkr h ALA 35 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2bkr h ALA 35 CO -0.13 0.15 0.20 0.74 0.00 0.00 0.00 179.25 180.22 2bkr h PHE 36 N 0.79 0.80 -0.54 0.00 -1.00 -1.00 0.66 116.94 116.65 2bkr h PHE 36 Ca 0.28 -0.06 0.06 0.00 2.81 0.00 0.00 57.97 61.06 2bkr h PHE 36 Cb 0.07 -0.24 -0.06 0.00 3.61 0.00 0.00 35.95 39.34 2bkr h PHE 36 CO -0.05 0.66 0.23 1.49 -1.61 0.00 0.00 178.31 179.03 2bkr h GLU 37 N 0.71 0.43 -0.70 1.51 4.57 -0.50 -0.86 114.58 119.74 2bkr h GLU 37 Ca 0.17 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2bkr h GLU 37 Cb 0.21 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2bkr h GLU 37 CO -0.01 0.28 0.29 -0.92 -1.18 0.00 0.00 179.01 177.47 2bkr h TYR 38 N 0.44 1.05 -0.28 0.92 3.20 -0.45 0.88 116.97 122.74 2bkr h TYR 38 Ca 0.25 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2bkr h TYR 38 Cb 0.23 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2bkr h TYR 38 CO -0.13 0.81 0.17 0.74 -1.64 0.00 0.00 178.16 178.10 2bkr h PHE 39 N 0.99 0.36 -0.43 -3.82 0.04 -0.71 -0.06 116.94 113.31 2bkr h PHE 39 Ca 0.23 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.89 2bkr h PHE 39 Cb 0.19 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2bkr h PHE 39 CO 0.01 0.26 -0.20 0.00 -0.60 0.00 0.00 178.31 177.79 2bkr h ALA 40 N 1.07 0.83 0.00 2.45 0.00 -0.84 0.23 119.26 122.99 2bkr h ALA 40 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bkr h ALA 40 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2bkr h ALA 40 CO -0.02 0.64 -1.57 0.09 0.00 0.00 0.00 179.25 178.40 2bkr n ASN 41 N -4.12 1.30 0.03 0.00 3.02 0.28 -3.82 115.26 111.95 2bkr n ASN 41 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2bkr n ASN 41 Cb 0.43 1.61 0.00 0.00 -0.61 0.00 0.00 39.78 41.21 2bkr n ASN 41 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2bkr n SER 42 N -1.94 0.32 -0.17 6.41 2.88 -0.24 -4.66 113.62 116.23 2bkr n SER 42 Ca -0.02 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 2bkr n SER 42 Cb 0.38 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2bkr n SER 42 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2bkr h GLN 43 N 0.00 0.82 -0.75 -1.46 4.15 -1.10 -3.19 115.11 113.58 2bkr h GLN 43 Ca 0.00 -0.24 -0.55 0.00 0.77 0.00 0.00 58.65 58.63 2bkr h GLN 43 Cb 0.00 -0.08 -0.43 0.00 0.21 0.00 0.00 27.48 27.18 2bkr h GLN 43 CO 0.00 0.85 -0.79 1.19 -1.93 0.00 0.00 178.83 178.15 2bkr n PHE 44 N -4.39 2.76 0.15 3.99 3.72 0.79 -4.81 117.46 119.67 2bkr n PHE 44 Ca 0.01 -2.23 -0.00 0.00 -0.05 0.00 0.00 57.45 55.17 2bkr n PHE 44 Cb 0.28 -0.36 0.23 0.00 -0.94 0.00 0.00 39.48 38.69 2bkr n PHE 44 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2bkr h HIS 45 N 2.18 0.00 0.00 1.38 2.76 -1.65 -1.92 115.15 117.90 2bkr h HIS 45 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2bkr h HIS 45 Cb 1.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.49 2bkr h HIS 45 CO 0.86 0.54 0.00 0.38 -1.30 0.00 0.00 177.93 178.41 2bkr h ASP 46 N 0.00 0.00 -0.34 3.26 2.03 -1.87 -2.58 116.42 116.92 2bkr h ASP 46 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2bkr h ASP 46 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2bkr h ASP 46 CO 0.07 0.00 0.00 -1.20 -1.03 0.00 0.00 179.24 177.08 2bkr n SER 47 N -2.38 2.83 0.30 4.15 7.64 -0.72 -4.65 113.62 120.79 2bkr n SER 47 Ca 0.01 -1.91 0.18 0.00 1.01 0.00 0.00 58.87 58.16 2bkr n SER 47 Cb 0.22 -0.22 0.92 0.00 -1.01 0.00 0.00 64.21 64.12 2bkr n SER 47 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2bkr h SER 48 N 3.61 0.00 1.06 6.43 4.64 -1.52 0.35 113.55 128.12 2bkr h SER 48 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2bkr h SER 48 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2bkr h SER 48 CO 0.00 0.04 -0.06 0.44 -0.87 0.00 0.00 176.83 176.37 2bkr h ASP 49 N 0.00 0.00 0.00 4.97 5.19 -1.86 -3.33 116.42 121.39 2bkr h ASP 49 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bkr h ASP 49 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2bkr h ASP 49 CO 0.00 0.06 -0.09 1.41 -3.12 0.00 0.00 179.24 177.51 2bkr n HIS 50 N -3.18 0.00 -4.24 4.55 8.25 0.07 -4.61 115.22 116.06 2bkr n HIS 50 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 2bkr n HIS 50 Cb 0.36 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.33 2bkr n HIS 50 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2bkr s VAL 51 N -1.15 0.62 -0.01 1.59 0.11 -0.95 -1.10 120.40 119.52 2bkr s VAL 51 Ca 0.00 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 2bkr s VAL 51 Cb 0.01 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2bkr s VAL 51 CO 0.05 0.05 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.26 2bkr s SER 52 N -0.50 2.12 -0.27 3.54 0.01 -0.48 -4.69 113.70 113.42 2bkr s SER 52 Ca 0.01 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.90 2bkr s SER 52 Cb -0.04 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.99 2bkr s SER 52 CO 0.00 0.21 -0.03 -0.36 0.41 0.00 0.00 173.24 173.46 2bkr s PHE 53 N -0.47 3.13 -0.26 2.43 0.08 -1.26 -0.97 117.98 120.65 2bkr s PHE 53 Ca 0.07 -1.61 -0.14 0.00 0.12 0.00 0.00 56.93 55.37 2bkr s PHE 53 Cb -0.07 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 2bkr s PHE 53 CO -0.00 -0.74 0.32 0.42 -0.10 0.00 0.00 175.22 175.11 2bkr s ILE 54 N 1.32 5.22 0.88 0.64 -1.09 0.25 -4.93 121.20 123.49 2bkr s ILE 54 Ca -0.01 0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.75 2bkr s ILE 54 Cb -0.18 -3.65 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 2bkr s ILE 54 CO -0.03 0.21 0.98 -1.54 -1.23 0.00 0.00 174.94 173.33 2bkr n SER 55 N 5.05 -0.02 -0.24 3.58 3.41 -1.26 -3.70 113.62 120.44 2bkr n SER 55 Ca -0.10 0.46 0.05 0.00 -0.26 0.00 0.00 58.87 59.02 2bkr n SER 55 Cb 0.51 -1.42 0.17 0.00 -0.26 0.00 0.00 64.21 63.21 2bkr n SER 55 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2bkr h PRO 56 N -1.46 0.22 -0.20 4.33 0.11 -1.86 -1.43 132.00 131.71 2bkr h PRO 56 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2bkr h PRO 56 Cb 1.29 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2bkr h PRO 56 CO 0.41 0.15 0.10 0.93 -0.21 0.00 0.00 178.00 179.38 2bkr h GLU 57 N 0.23 0.21 -0.33 1.05 3.07 -1.90 -0.94 114.58 115.95 2bkr h GLU 57 Ca 0.41 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 2bkr h GLU 57 Cb 0.70 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2bkr h GLU 57 CO -0.53 0.14 -0.31 0.28 -1.40 0.00 0.00 179.01 177.19 2bkr h VAL 58 N 0.21 1.28 -0.61 3.13 2.07 -1.86 -1.22 116.25 119.25 2bkr h VAL 58 Ca 0.08 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.17 2bkr h VAL 58 Cb 0.01 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2bkr h VAL 58 CO -0.05 0.47 0.40 0.74 0.02 0.00 0.00 177.57 179.15 2bkr h THR 59 N 0.61 1.14 -0.60 2.57 2.02 -1.02 -0.52 112.91 117.10 2bkr h THR 59 Ca 0.07 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2bkr h THR 59 Cb 0.82 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2bkr h THR 59 CO 0.07 0.15 0.10 -0.61 0.37 0.00 0.00 175.52 175.60 2bkr h GLN 60 N 0.81 0.97 -0.70 6.66 5.75 -1.00 -1.01 115.11 126.58 2bkr h GLN 60 Ca 0.23 -0.24 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 2bkr h GLN 60 Cb -0.07 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.29 2bkr h GLN 60 CO -0.06 0.89 0.38 0.35 -2.65 0.00 0.00 178.83 177.75 2bkr h PHE 61 N 0.92 0.70 -0.10 3.99 3.57 -0.66 -1.74 116.94 123.62 2bkr h PHE 61 Ca 0.19 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2bkr h PHE 61 Cb 0.39 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2bkr h PHE 61 CO 0.03 0.31 0.05 0.82 -2.23 0.00 0.00 178.31 177.28 2bkr h ILE 62 N 0.69 1.12 -0.73 1.41 2.04 -0.76 -2.40 117.51 118.88 2bkr h ILE 62 Ca 0.33 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2bkr h ILE 62 Cb 0.25 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 2bkr h ILE 62 CO -0.21 0.10 0.37 0.50 0.00 0.00 0.00 178.15 178.91 2bkr h LYS 63 N 0.04 0.61 -0.02 2.37 3.64 -0.90 -3.15 116.57 119.15 2bkr h LYS 63 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2bkr h LYS 63 Cb 0.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2bkr h LYS 63 CO -0.00 0.40 -0.31 0.00 -2.27 0.00 0.00 179.45 177.26 2bkr s THR 65 N -2.36 5.31 0.02 0.00 2.01 -0.91 -4.99 115.64 114.73 2bkr s THR 65 Ca 0.23 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.66 2bkr s THR 65 Cb 0.19 -3.58 -0.24 0.00 0.01 0.00 0.00 72.50 68.88 2bkr s THR 65 CO 0.50 0.34 0.92 0.77 -0.69 0.00 0.00 174.62 176.45 2bkr h SER 66 N 7.26 0.15 -3.09 3.53 4.64 -1.90 -3.45 113.55 120.68 2bkr h SER 66 Ca -0.38 -0.21 -0.57 0.00 -0.47 0.00 0.00 61.79 60.16 2bkr h SER 66 Cb 1.16 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 2bkr h SER 66 CO 0.70 1.18 0.94 0.21 -0.87 0.00 0.00 176.83 178.99 2bkr s ASN 67 N -6.62 6.77 0.37 4.97 3.84 -1.26 -4.91 114.94 118.11 2bkr s ASN 67 Ca -0.05 1.33 0.15 0.00 0.21 0.00 0.00 52.86 54.50 2bkr s ASN 67 Cb 0.08 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.96 2bkr s ASN 67 CO 0.83 -0.97 1.79 1.55 -2.79 0.00 0.00 177.10 177.51 2bkr h PRO 68 N 8.87 0.00 -0.75 0.43 0.13 -2.00 -2.46 132.00 136.23 2bkr h PRO 68 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2bkr h PRO 68 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2bkr h PRO 68 CO 1.02 0.39 0.31 0.00 -0.23 0.00 0.00 178.00 179.48 2bkr h ALA 69 N 1.61 0.97 -0.35 -0.56 0.00 -1.99 -1.20 119.26 117.74 2bkr h ALA 69 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2bkr h ALA 69 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bkr h ALA 69 CO 0.05 0.59 -0.09 1.49 0.00 0.00 0.00 179.25 181.29 2bkr h GLU 70 N 1.08 0.69 -0.08 0.00 4.81 -1.89 -0.70 114.58 118.47 2bkr h GLU 70 Ca 0.25 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bkr h GLU 70 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2bkr h GLU 70 CO -0.02 0.85 0.03 0.82 -0.73 0.00 0.00 179.01 179.95 2bkr h ILE 71 N 0.48 0.98 -0.20 2.32 2.04 -1.35 -1.10 117.51 120.68 2bkr h ILE 71 Ca 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2bkr h ILE 71 Cb 0.60 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2bkr h ILE 71 CO 0.04 0.01 0.13 0.00 0.00 0.00 0.00 178.15 178.32 2bkr h ALA 72 N 1.05 0.25 -0.33 1.87 0.00 -1.01 -1.28 119.26 119.81 2bkr h ALA 72 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bkr h ALA 72 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2bkr h ALA 72 CO -0.04 -0.28 0.19 0.52 0.00 0.00 0.00 179.25 179.64 2bkr h MET 73 N 0.26 0.46 -0.65 0.00 2.86 -1.09 -1.27 114.93 115.50 2bkr h MET 73 Ca 0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2bkr h MET 73 Cb -0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2bkr h MET 73 CO -0.02 0.38 0.37 0.35 1.06 0.00 0.00 176.91 179.05 2bkr h PHE 74 N 0.42 0.89 0.00 -0.22 3.57 -0.90 -2.86 116.94 117.84 2bkr h PHE 74 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2bkr h PHE 74 Cb 0.05 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2bkr h PHE 74 CO -0.03 0.63 0.00 1.28 -2.23 0.00 0.00 178.31 177.96 2bkr n LEU 75 N -4.54 0.00 -0.23 0.59 4.77 -0.51 -4.34 117.00 112.74 2bkr n LEU 75 Ca 0.05 0.45 0.04 0.00 -0.03 0.00 0.00 56.01 56.52 2bkr n LEU 75 Cb 0.08 -0.45 0.15 0.00 -2.33 0.00 0.00 43.42 40.86 2bkr n LEU 75 CO 0.37 -0.02 0.89 -0.08 -1.33 0.00 0.00 177.39 177.22 2bkr h GLU 76 N 0.00 0.19 0.00 3.23 4.57 -0.99 -1.10 114.58 120.49 2bkr h GLU 76 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2bkr h GLU 76 Cb 0.44 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2bkr h GLU 76 CO 0.00 0.13 -0.00 -1.35 -1.18 0.00 0.00 179.01 176.61 2bkr h PRO 77 N 0.20 0.00 0.00 0.92 0.11 -1.81 -2.36 132.00 129.06 2bkr h PRO 77 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2bkr h PRO 77 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2bkr h PRO 77 CO -0.52 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.20 2bkr h LEU 78 N 0.00 0.00 -1.70 2.35 3.38 -1.51 -3.47 115.31 114.36 2bkr h LEU 78 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2bkr h LEU 78 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2bkr h LEU 78 CO 0.00 0.00 -0.84 -0.67 0.09 0.00 0.00 178.44 177.02 2bkr n ASP 79 N -2.69 -1.37 -0.29 -0.43 4.64 -0.89 -4.90 116.55 110.63 2bkr n ASP 79 Ca 0.03 -0.90 0.01 0.00 -1.38 0.00 0.00 54.79 52.56 2bkr n ASP 79 Cb 0.40 -3.56 0.21 0.00 -1.04 0.00 0.00 41.12 37.13 2bkr n ASP 79 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2bkr h LEU 80 N -1.86 0.95 -2.60 -2.67 3.38 -1.84 -2.85 115.31 107.83 2bkr h LEU 80 Ca -0.61 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.35 2bkr h LEU 80 Cb 1.37 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2bkr h LEU 80 CO 0.61 0.66 0.11 -0.65 0.09 0.00 0.00 178.44 179.27 2bkr h PRO 81 N 1.10 0.00 -0.69 1.13 0.11 -1.95 -1.51 132.00 130.20 2bkr h PRO 81 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2bkr h PRO 81 Cb -0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2bkr h PRO 81 CO -0.10 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.78 2bkr n ASN 82 N -3.19 3.84 -4.80 -2.05 3.02 -1.07 -4.95 115.26 106.06 2bkr n ASN 82 Ca -0.02 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.15 2bkr n ASN 82 Cb 0.19 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 2bkr n ASN 82 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bkr s LYS 83 N -1.08 4.05 0.03 3.52 -0.14 -0.57 -4.79 119.74 120.77 2bkr s LYS 83 Ca 0.48 0.43 -0.19 0.00 -1.36 0.00 0.00 55.97 55.33 2bkr s LYS 83 Cb 0.25 -3.28 -0.18 0.00 -1.68 0.00 0.00 37.83 32.94 2bkr s LYS 83 CO 0.33 0.55 1.23 -0.09 -0.76 0.00 0.00 175.35 176.61 2bkr h ARG 84 N 5.24 0.47 -5.18 1.68 2.43 -1.40 -3.42 114.38 114.20 2bkr h ARG 84 Ca -0.49 -0.36 -0.51 0.00 -0.81 0.00 0.00 59.98 57.81 2bkr h ARG 84 Cb 1.21 0.07 -0.30 0.00 -0.42 0.00 0.00 29.97 30.52 2bkr h ARG 84 CO 0.65 0.99 -0.82 0.08 -1.51 0.00 0.00 179.97 179.36 2bkr s VAL 85 N -3.74 1.20 -0.04 0.20 1.01 -0.45 -0.55 120.40 118.04 2bkr s VAL 85 Ca -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2bkr s VAL 85 Cb 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2bkr s VAL 85 CO 0.81 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 175.45 2bkr s VAL 86 N -0.06 1.05 -0.12 2.92 1.01 -0.82 -1.38 120.40 123.00 2bkr s VAL 86 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2bkr s VAL 86 Cb -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2bkr s VAL 86 CO 0.01 0.32 -0.05 -0.36 0.00 0.00 0.00 175.10 175.02 2bkr s PHE 87 N 0.32 3.00 -0.02 5.22 0.08 -0.15 -0.40 117.98 126.03 2bkr s PHE 87 Ca -0.07 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.83 2bkr s PHE 87 Cb -0.12 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2bkr s PHE 87 CO 0.02 0.11 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.66 2bkr s LEU 88 N -0.12 1.81 -0.52 -0.37 1.02 0.20 -0.59 118.68 120.11 2bkr s LEU 88 Ca 0.02 -0.17 -0.20 0.00 0.02 0.00 0.00 54.13 53.80 2bkr s LEU 88 Cb -0.13 -0.50 0.06 0.00 0.02 0.00 0.00 46.19 45.64 2bkr s LEU 88 CO 0.03 0.06 0.68 0.00 0.02 0.00 0.00 176.35 177.14 2bkr s ALA 89 N 0.15 3.36 0.06 4.21 0.00 -1.24 -1.20 121.76 127.09 2bkr s ALA 89 Ca -0.02 -1.73 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 2bkr s ALA 89 Cb -0.08 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2bkr s ALA 89 CO 0.00 -2.10 0.81 0.42 0.00 0.00 0.00 175.76 174.89 2bkr s ILE 90 N 2.82 4.67 0.21 0.00 -1.09 0.14 -4.55 121.20 123.40 2bkr s ILE 90 Ca 0.17 1.73 0.11 0.00 -2.23 0.00 0.00 60.65 60.43 2bkr s ILE 90 Cb -0.19 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 2bkr s ILE 90 CO 0.12 0.36 -0.22 0.21 -1.23 0.00 0.00 174.94 174.18 2bkr s ASN 91 N -0.06 3.37 0.00 3.58 3.84 -1.26 -0.84 114.94 123.56 2bkr s ASN 91 Ca 0.40 -0.91 0.26 0.00 0.21 0.00 0.00 52.86 52.82 2bkr s ASN 91 Cb -0.21 -0.25 0.63 0.00 -0.55 0.00 0.00 41.25 40.86 2bkr s ASN 91 CO 0.25 0.08 1.49 -0.90 -2.79 0.00 0.00 177.10 175.22 2bkr n ASP 92 N 0.03 1.53 -4.72 -4.21 5.75 -1.18 -4.92 116.55 108.82 2bkr n ASP 92 Ca -0.11 -1.27 -0.40 0.00 -0.01 0.00 0.00 54.79 53.00 2bkr n ASP 92 Cb 0.57 0.16 0.02 0.00 -1.03 0.00 0.00 41.12 40.84 2bkr n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2bkr n ASN 93 N -0.13 2.74 -3.22 -1.12 5.15 -1.26 -4.90 115.26 112.52 2bkr n ASN 93 Ca 0.13 1.08 -0.19 0.00 -0.60 0.00 0.00 54.58 55.00 2bkr n ASN 93 Cb 0.40 -1.54 0.15 0.00 -0.53 0.00 0.00 39.78 38.26 2bkr n ASN 93 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2bkr n SER 94 N -0.12 -0.80 -0.92 1.20 2.88 -1.26 -4.99 113.62 109.61 2bkr n SER 94 Ca 0.07 -1.13 0.08 0.00 -1.33 0.00 0.00 58.87 56.56 2bkr n SER 94 Cb 0.41 -0.66 0.23 0.00 -0.75 0.00 0.00 64.21 63.43 2bkr n SER 94 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bkr n ASN 95 N -3.88 2.68 -0.05 -3.46 6.94 -1.26 -4.52 115.26 111.70 2bkr n ASN 95 Ca 0.10 -1.99 -0.13 0.00 -0.02 0.00 0.00 54.58 52.54 2bkr n ASN 95 Cb 0.38 -0.33 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 2bkr n ASN 95 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bkr n GLN 96 N 0.97 0.68 -4.07 -3.83 1.13 -1.26 -5.03 117.38 105.96 2bkr n GLN 96 Ca 0.17 0.19 -0.11 0.00 -1.94 0.00 0.00 57.00 55.31 2bkr n GLN 96 Cb 0.42 -1.66 -0.06 0.00 0.11 0.00 0.00 30.24 29.05 2bkr n GLN 96 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bkr s ALA 97 N -2.55 0.36 0.47 -1.58 0.00 -1.26 -5.14 121.76 112.06 2bkr s ALA 97 Ca -0.15 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 2bkr s ALA 97 Cb 0.07 1.18 -0.08 0.00 0.00 0.00 0.00 23.12 24.30 2bkr s ALA 97 CO 0.78 -0.77 1.10 0.00 0.00 0.00 0.00 175.76 176.87 2bkr s ALA 98 N -3.88 2.91 0.00 0.00 0.00 -1.26 -4.84 121.76 114.69 2bkr s ALA 98 Ca 0.29 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2bkr s ALA 98 Cb 0.02 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2bkr s ALA 98 CO 0.12 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2bkr n GLY 99 N 0.19 -0.58 0.00 0.00 0.00 -1.26 -5.10 105.19 98.43 2bkr n GLY 99 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2bkr n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkr n GLY 100 N 0.00 2.84 0.00 -0.02 0.00 -1.26 -4.86 105.19 101.89 2bkr n GLY 100 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2bkr n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bkr n SER 101 N 0.00 0.18 -3.69 1.61 3.41 -1.26 -4.96 113.62 108.91 2bkr n SER 101 Ca 0.00 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.29 2bkr n SER 101 Cb 0.00 0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 2bkr n SER 101 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2bkr s HIS 102 N -0.49 -0.66 0.02 7.33 5.65 -1.26 -5.05 115.29 120.83 2bkr s HIS 102 Ca 0.00 1.45 -0.00 0.00 0.25 0.00 0.00 55.06 56.76 2bkr s HIS 102 Cb 0.00 0.31 -0.04 0.00 -1.18 0.00 0.00 32.58 31.67 2bkr s HIS 102 CO 0.00 -0.35 0.12 -1.58 -0.65 0.00 0.00 174.74 172.28 2bkr s TRP 103 N 1.08 3.35 0.31 3.88 0.52 -1.26 -3.09 118.94 123.73 2bkr s TRP 103 Ca -0.07 0.21 -0.07 0.00 0.02 0.00 0.00 56.10 56.20 2bkr s TRP 103 Cb -0.06 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2bkr s TRP 103 CO -0.10 0.57 0.50 -1.54 0.02 0.00 0.00 176.95 176.40 2bkr s SER 104 N -2.04 0.46 -0.11 2.95 1.04 -0.02 -4.65 113.70 111.34 2bkr s SER 104 Ca 0.27 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.46 2bkr s SER 104 Cb -0.12 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2bkr s SER 104 CO 0.19 -1.28 -0.19 -0.22 0.98 0.00 0.00 173.24 172.72 2bkr s LEU 105 N -3.15 2.35 -0.12 2.42 2.96 -0.45 0.24 118.68 122.95 2bkr s LEU 105 Ca 0.26 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2bkr s LEU 105 Cb -0.01 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 2bkr s LEU 105 CO 0.15 0.16 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.02 2bkr s LEU 106 N 0.33 2.89 -0.09 -0.68 2.96 -0.34 -0.11 118.68 123.63 2bkr s LEU 106 Ca -0.15 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2bkr s LEU 106 Cb -0.17 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2bkr s LEU 106 CO 0.08 0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.44 2bkr s VAL 107 N 0.05 1.67 -0.11 1.68 1.01 -0.20 -0.63 120.40 123.88 2bkr s VAL 107 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2bkr s VAL 107 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2bkr s VAL 107 CO 0.04 0.47 -0.02 -0.47 0.00 0.00 0.00 175.10 175.12 2bkr s TYR 108 N 0.56 3.08 -0.15 5.22 5.04 0.47 0.01 117.35 131.58 2bkr s TYR 108 Ca -0.15 0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2bkr s TYR 108 Cb -0.17 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.32 2bkr s TYR 108 CO 0.05 0.26 -0.14 -1.17 -1.34 0.00 0.00 175.55 173.22 2bkr s LEU 109 N -0.38 1.72 0.44 6.97 2.96 0.48 -1.94 118.68 128.92 2bkr s LEU 109 Ca 0.07 -0.51 0.20 0.00 -0.22 0.00 0.00 54.13 53.67 2bkr s LEU 109 Cb -0.12 -1.18 1.04 0.00 0.50 0.00 0.00 46.19 46.43 2bkr s LEU 109 CO 0.02 -0.06 1.93 -0.61 -1.32 0.00 0.00 176.35 176.30 2bkr h GLN 110 N 8.05 0.00 -0.90 1.98 4.15 -1.07 -1.69 115.11 125.63 2bkr h GLN 110 Ca -0.37 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.21 2bkr h GLN 110 Cb 1.13 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.72 2bkr h GLN 110 CO 0.52 0.25 0.48 -0.44 -1.93 0.00 0.00 178.83 177.71 2bkr h ASP 111 N 0.00 0.57 0.00 -0.69 5.19 -1.95 -1.04 116.42 118.50 2bkr h ASP 111 Ca -0.00 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2bkr h ASP 111 Cb 0.53 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2bkr h ASP 111 CO 0.03 0.20 -0.21 2.29 -3.12 0.00 0.00 179.24 178.44 2bkr n LYS 112 N -4.87 0.84 -3.76 3.56 2.85 -1.24 -5.01 118.16 110.54 2bkr n LYS 112 Ca 0.19 -2.07 -0.23 0.00 -1.05 0.00 0.00 58.31 55.15 2bkr n LYS 112 Cb 0.50 -1.14 0.02 0.00 -0.65 0.00 0.00 35.03 33.76 2bkr n LYS 112 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2bkr n ASN 113 N -0.91 -1.29 -4.21 -5.58 5.15 -0.40 -4.95 115.26 103.08 2bkr n ASN 113 Ca 0.11 -0.88 -0.16 0.00 -0.60 0.00 0.00 54.58 53.05 2bkr n ASN 113 Cb 0.67 -3.76 -0.11 0.00 -0.53 0.00 0.00 39.78 36.06 2bkr n ASN 113 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2bkr s SER 114 N -4.29 1.71 -0.03 1.20 0.01 -0.74 -4.43 113.70 107.11 2bkr s SER 114 Ca 0.04 -0.85 0.07 0.00 1.31 0.00 0.00 55.95 56.52 2bkr s SER 114 Cb -0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2bkr s SER 114 CO 0.83 -0.23 -0.23 -0.36 0.41 0.00 0.00 173.24 173.66 2bkr s PHE 115 N -2.50 2.44 -0.09 2.43 0.08 0.14 -0.39 117.98 120.09 2bkr s PHE 115 Ca 0.09 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.74 2bkr s PHE 115 Cb -0.03 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2bkr s PHE 115 CO 0.01 -0.01 -0.11 -0.06 -0.10 0.00 0.00 175.22 174.95 2bkr s PHE 116 N -0.57 1.57 -0.23 0.36 0.08 0.10 -0.82 117.98 118.47 2bkr s PHE 116 Ca 0.08 -0.69 -0.07 0.00 0.12 0.00 0.00 56.93 56.37 2bkr s PHE 116 Cb -0.11 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 2bkr s PHE 116 CO 0.00 -0.40 0.06 -1.58 -0.10 0.00 0.00 175.22 173.20 2bkr s HIS 117 N 1.08 3.10 -0.30 0.36 5.65 0.78 -1.03 115.29 124.92 2bkr s HIS 117 Ca -0.06 -0.34 -0.05 0.00 0.25 0.00 0.00 55.06 54.85 2bkr s HIS 117 Cb -0.15 -2.20 0.03 0.00 -1.18 0.00 0.00 32.58 29.08 2bkr s HIS 117 CO -0.01 -0.27 0.05 0.71 -0.65 0.00 0.00 174.74 174.57 2bkr s TYR 118 N 1.37 3.18 -0.11 3.88 2.02 0.84 -1.09 117.35 127.44 2bkr s TYR 118 Ca 0.05 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2bkr s TYR 118 Cb -0.15 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2bkr s TYR 118 CO 0.03 -0.68 -0.10 0.34 -1.57 0.00 0.00 175.55 173.58 2bkr s ASP 119 N 1.41 2.15 0.07 2.29 -1.08 -1.26 -1.34 116.67 118.91 2bkr s ASP 119 Ca -0.00 -0.33 0.18 0.00 -0.52 0.00 0.00 52.55 51.88 2bkr s ASP 119 Cb -0.18 -0.89 0.75 0.00 -1.46 0.00 0.00 42.92 41.14 2bkr s ASP 119 CO 0.01 -0.07 1.56 -1.54 0.52 0.00 0.00 175.17 175.65 2bkr n SER 120 N 4.61 0.19 -4.03 -0.34 3.41 -1.26 -3.57 113.62 112.64 2bkr n SER 120 Ca -0.16 0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 58.67 2bkr n SER 120 Cb 0.50 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 2bkr n SER 120 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2bkr s HIS 121 N -3.09 3.48 -0.31 7.33 5.65 -1.26 -1.00 115.29 126.09 2bkr s HIS 121 Ca 0.07 -2.90 -0.40 0.00 0.25 0.00 0.00 55.06 52.07 2bkr s HIS 121 Cb 0.10 -3.00 -0.18 0.00 -1.18 0.00 0.00 32.58 28.32 2bkr s HIS 121 CO 0.32 -0.87 1.29 0.45 -0.65 0.00 0.00 174.74 175.29 2bkr n SER 122 N 3.79 0.74 0.00 9.88 2.88 -1.23 -0.73 113.62 128.95 2bkr n SER 122 Ca 0.04 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2bkr n SER 122 Cb 0.38 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2bkr n SER 122 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bkr n ARG 123 N 2.89 -0.67 -0.16 -1.46 1.74 -1.26 -4.89 116.66 112.84 2bkr n ARG 123 Ca 0.25 0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 57.46 2bkr n ARG 123 Cb -0.01 -4.33 0.06 0.00 -1.02 0.00 0.00 32.46 27.15 2bkr n ARG 123 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bkr h SER 124 N 0.00 0.27 -0.66 0.55 0.87 -1.31 -2.84 113.55 110.43 2bkr h SER 124 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2bkr h SER 124 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2bkr h SER 124 CO 0.00 0.19 0.00 0.59 -0.53 0.00 0.00 176.83 177.08 2bkr n ASN 125 N -4.95 4.79 -0.36 6.23 4.13 -1.26 -4.70 115.26 119.14 2bkr n ASN 125 Ca 0.05 -2.44 0.06 0.00 1.68 0.00 0.00 54.58 53.93 2bkr n ASN 125 Cb 0.17 -0.58 0.23 0.00 -1.54 0.00 0.00 39.78 38.06 2bkr n ASN 125 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2bkr h SER 126 N 4.15 0.94 -0.61 6.41 0.02 -1.89 0.60 113.55 123.17 2bkr h SER 126 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2bkr h SER 126 Cb 1.45 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 2bkr h SER 126 CO 0.23 0.52 0.28 0.58 -1.14 0.00 0.00 176.83 177.30 2bkr h VAL 127 N 1.02 1.22 -0.20 2.27 2.07 -1.84 -0.31 116.25 120.48 2bkr h VAL 127 Ca 0.48 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2bkr h VAL 127 Cb 0.44 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2bkr h VAL 127 CO -0.25 0.26 -0.32 0.45 0.02 0.00 0.00 177.57 177.73 2bkr h HIS 128 N 0.84 0.71 -0.80 1.57 -0.00 -1.56 -2.21 115.15 113.71 2bkr h HIS 128 Ca 0.21 -0.24 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2bkr h HIS 128 Cb 0.15 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 2bkr h HIS 128 CO 0.00 0.97 0.37 0.00 -0.00 0.00 0.00 177.93 179.28 2bkr h ALA 129 N 0.62 1.03 -0.18 2.45 0.00 -0.90 -2.06 119.26 120.22 2bkr h ALA 129 Ca 0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2bkr h ALA 129 Cb 0.91 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bkr h ALA 129 CO 0.07 0.61 -0.39 -0.22 0.00 0.00 0.00 179.25 179.32 2bkr h LYS 130 N 1.14 0.40 -0.31 0.00 3.64 -1.01 -0.51 116.57 119.91 2bkr h LYS 130 Ca 0.27 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2bkr h LYS 130 Cb 0.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2bkr h LYS 130 CO -0.03 0.73 0.11 0.37 -2.27 0.00 0.00 179.45 178.35 2bkr h GLN 131 N 0.33 0.47 -0.30 1.90 4.15 -1.12 0.33 115.11 120.88 2bkr h GLN 131 Ca 0.03 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2bkr h GLN 131 Cb 0.84 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2bkr h GLN 131 CO 0.07 0.51 0.12 0.28 -1.93 0.00 0.00 178.83 177.88 2bkr h VAL 132 N 0.34 1.18 -0.41 2.39 2.07 -1.27 -2.52 116.25 118.03 2bkr h VAL 132 Ca 0.10 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2bkr h VAL 132 Cb 0.23 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 2bkr h VAL 132 CO -0.00 0.19 0.02 0.00 0.02 0.00 0.00 177.57 177.79 2bkr h ALA 133 N 0.96 0.40 -0.86 1.67 0.00 -0.88 0.13 119.26 120.68 2bkr h ALA 133 Ca 0.10 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2bkr h ALA 133 Cb 0.18 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2bkr h ALA 133 CO -0.01 -0.38 0.55 0.93 0.00 0.00 0.00 179.25 180.35 2bkr h GLU 134 N 0.13 1.05 -0.25 0.00 5.08 -0.84 0.27 114.58 120.02 2bkr h GLU 134 Ca 0.20 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2bkr h GLU 134 Cb 0.28 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2bkr h GLU 134 CO -0.32 0.69 -0.56 0.87 -1.00 0.00 0.00 179.01 178.69 2bkr h LYS 135 N 1.08 0.76 -0.54 2.33 1.57 -0.98 -1.77 116.57 119.02 2bkr h LYS 135 Ca 0.34 -0.49 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2bkr h LYS 135 Cb 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2bkr h LYS 135 CO -0.12 1.12 0.15 1.25 -0.57 0.00 0.00 179.45 181.28 2bkr h LEU 136 N 0.58 0.80 -1.16 2.94 5.85 -0.74 -2.94 115.31 120.64 2bkr h LEU 136 Ca 0.01 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 2bkr h LEU 136 Cb 1.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2bkr h LEU 136 CO 0.12 0.81 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.94 2bkr h GLU 137 N 0.76 0.58 -0.46 1.25 4.57 -0.83 0.25 114.58 120.69 2bkr h GLU 137 Ca 0.17 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2bkr h GLU 137 Cb 0.30 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2bkr h GLU 137 CO -0.00 0.61 0.28 0.00 -1.18 0.00 0.00 179.01 178.72 2bkr h ALA 138 N 1.45 1.63 0.04 2.92 0.00 -1.18 0.57 119.26 124.69 2bkr h ALA 138 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2bkr h ALA 138 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bkr h ALA 138 CO 0.01 0.33 -0.48 0.35 0.00 0.00 0.00 179.25 179.47 2bkr h PHE 139 N 0.63 0.15 0.00 0.00 -0.00 -1.22 -3.39 116.94 113.11 2bkr h PHE 139 Ca 0.17 -0.11 -0.21 0.00 -0.00 0.00 0.00 57.97 57.82 2bkr h PHE 139 Cb -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 35.88 2bkr h PHE 139 CO 0.00 1.18 -1.20 -0.07 -0.00 0.00 0.00 178.31 178.23 2bkr h LEU 140 N -0.81 0.00-10.64 0.59 3.38 -0.45 -3.47 115.31 103.91 2bkr h LEU 140 Ca -0.11 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.41 2bkr h LEU 140 Cb 1.24 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.13 2bkr h LEU 140 CO 0.00 0.85 0.36 -0.83 0.09 0.00 0.00 178.44 178.92 2bkr s GLY 141 N -4.80 1.65 0.17 0.83 0.00 0.20 -5.02 107.32 100.35 2bkr s GLY 141 Ca -0.01 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 43.96 2bkr s GLY 141 CO 0.81 -0.20 -0.13 0.50 0.00 0.00 0.00 173.10 174.08 2bkr s ARG 142 N -5.60 1.95 0.13 2.90 1.81 -1.26 -4.92 118.95 113.96 2bkr s ARG 142 Ca 0.67 -1.27 -0.35 0.00 -1.72 0.00 0.00 55.73 53.06 2bkr s ARG 142 Cb -0.09 -2.12 -0.15 0.00 -0.45 0.00 0.00 34.95 32.13 2bkr s ARG 142 CO 0.52 0.44 1.43 0.36 -0.68 0.00 0.00 175.30 177.37 2bkr n LYS 143 N 0.24 1.58 0.00 3.54 2.85 -1.26 -1.31 118.16 123.81 2bkr n LYS 143 Ca -0.12 0.57 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 2bkr n LYS 143 Cb 0.55 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 2bkr n LYS 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bkr n GLY 144 N 2.85 0.15 3.74 2.58 0.00 -1.26 -5.06 105.19 108.18 2bkr n GLY 144 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2bkr n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bkr s ASP 145 N -1.96 7.17 0.41 1.61 1.01 -0.42 -5.04 116.67 119.45 2bkr s ASP 145 Ca 0.00 2.19 -0.10 0.00 0.71 0.00 0.00 52.55 55.35 2bkr s ASP 145 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 2bkr s ASP 145 CO 0.00 -0.29 0.77 -1.59 0.21 0.00 0.00 175.17 174.27 2bkr s LYS 146 N -0.43 3.76 -0.10 8.23 -2.85 -1.26 -4.96 119.74 122.12 2bkr s LYS 146 Ca 0.51 0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 55.63 2bkr s LYS 146 Cb -0.31 -2.39 -0.03 0.00 -2.06 0.00 0.00 37.83 33.04 2bkr s LYS 146 CO 0.37 -0.06 1.29 -1.17 0.10 0.00 0.00 175.35 175.87 2bkr s LEU 147 N -3.94 4.24 -0.34 2.77 2.96 -1.26 -5.01 118.68 118.10 2bkr s LEU 147 Ca 0.51 1.83 -0.09 0.00 -0.22 0.00 0.00 54.13 56.16 2bkr s LEU 147 Cb -0.10 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.06 2bkr s LEU 147 CO 0.33 -0.70 0.15 0.00 -1.32 0.00 0.00 176.35 174.80 2bkr s ALA 148 N 2.92 3.18 -0.06 5.97 0.00 -1.26 -5.07 121.76 127.45 2bkr s ALA 148 Ca 0.58 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2bkr s ALA 148 Cb -0.25 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.51 2bkr s ALA 148 CO 0.20 -1.19 -0.00 0.12 0.00 0.00 0.00 175.76 174.89 2bkr s PHE 149 N 1.52 0.58 -0.12 0.00 5.36 -1.26 -0.68 117.98 123.38 2bkr s PHE 149 Ca 0.02 -0.12 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 2bkr s PHE 149 Cb -0.18 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 41.81 2bkr s PHE 149 CO 0.05 -0.27 -0.22 0.08 -1.46 0.00 0.00 175.22 173.41 2bkr s VAL 150 N 1.67 1.95 -0.42 3.12 1.01 -0.00 -4.99 120.40 122.74 2bkr s VAL 150 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 2bkr s VAL 150 Cb -0.13 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2bkr s VAL 150 CO -0.04 0.53 0.90 -1.61 0.00 0.00 0.00 175.10 174.89 2bkr s GLU 151 N 0.63 3.66 0.34 2.72 0.41 -1.26 -0.16 118.70 125.04 2bkr s GLU 151 Ca -0.12 0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 54.49 2bkr s GLU 151 Cb -0.16 -3.87 -0.10 0.00 -1.78 0.00 0.00 34.13 28.22 2bkr s GLU 151 CO 0.03 -1.08 0.97 -1.21 -0.49 0.00 0.00 175.26 173.48 2bkr s GLU 152 N 3.57 4.48 -0.33 1.61 0.41 -0.25 -4.92 118.70 123.25 2bkr s GLU 152 Ca 0.36 1.37 -0.28 0.00 -0.41 0.00 0.00 54.97 56.01 2bkr s GLU 152 Cb -0.11 -2.72 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2bkr s GLU 152 CO 0.23 0.17 1.77 0.21 -0.49 0.00 0.00 175.26 177.15 2bkr s LYS 153 N -2.20 3.36 0.27 1.61 2.36 -1.26 -4.68 119.74 119.20 2bkr s LYS 153 Ca 0.52 1.41 0.12 0.00 -2.55 0.00 0.00 55.97 55.46 2bkr s LYS 153 Cb -0.19 -4.18 -0.05 0.00 -1.05 0.00 0.00 37.83 32.36 2bkr s LYS 153 CO 0.24 -1.83 -0.19 0.00 1.55 0.00 0.00 175.35 175.12 2bkr s ALA 154 N 6.76 2.67 0.17 3.13 0.00 -1.26 -4.94 121.76 128.29 2bkr s ALA 154 Ca 0.79 -1.85 -0.33 0.00 0.00 0.00 0.00 51.96 50.56 2bkr s ALA 154 Cb -0.22 -0.24 -0.15 0.00 0.00 0.00 0.00 23.12 22.51 2bkr s ALA 154 CO 0.34 0.26 1.38 -2.30 0.00 0.00 0.00 175.76 175.43 2bkr n PRO 155 N -0.58 1.67 -3.73 0.00 -0.02 -1.26 -4.90 135.00 126.18 2bkr n PRO 155 Ca -0.05 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 2bkr n PRO 155 Cb 0.60 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 2bkr n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bkr s ALA 156 N 0.25 3.70 0.42 3.55 0.00 -1.26 -4.06 121.76 124.35 2bkr s ALA 156 Ca 0.75 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 2bkr s ALA 156 Cb -0.77 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 2bkr s ALA 156 CO 0.47 0.19 1.21 1.14 0.00 0.00 0.00 175.76 178.77 2bkr s GLN 157 N 0.27 3.94 -0.12 0.00 -2.07 -0.17 -4.84 119.66 116.68 2bkr s GLN 157 Ca 0.09 1.93 0.14 0.00 -1.82 0.00 0.00 55.36 55.71 2bkr s GLN 157 Cb -0.11 -2.64 0.41 0.00 -1.09 0.00 0.00 33.01 29.57 2bkr s GLN 157 CO -0.01 -0.44 1.32 1.04 -1.32 0.00 0.00 175.29 175.87 2bkr n GLN 158 N -0.04 2.70 -3.99 9.60 1.13 -1.26 -4.97 117.38 120.55 2bkr n GLN 158 Ca 0.05 -2.52 -0.12 0.00 -1.94 0.00 0.00 57.00 52.47 2bkr n GLN 158 Cb 0.46 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 2bkr n GLN 158 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bkr s ASN 159 N -1.76 0.54 0.06 1.08 2.20 -1.26 -5.07 114.94 110.73 2bkr s ASN 159 Ca 0.33 -1.33 0.26 0.00 -0.94 0.00 0.00 52.86 51.19 2bkr s ASN 159 Cb 0.25 0.72 0.78 0.00 -2.00 0.00 0.00 41.25 41.01 2bkr s ASN 159 CO 0.09 -1.41 1.64 -1.54 -2.94 0.00 0.00 177.10 172.94 2bkr n SER 160 N -1.32 0.42 -0.00 3.54 3.41 -1.26 -4.47 113.62 113.94 2bkr n SER 160 Ca -0.02 0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.83 2bkr n SER 160 Cb 0.61 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2bkr n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bkr n TYR 161 N -1.75 0.00 1.61 7.33 0.18 -1.26 -4.70 117.16 118.58 2bkr n TYR 161 Ca 0.06 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.94 2bkr n TYR 161 Cb 0.37 -0.00 0.51 0.00 -0.38 0.00 0.00 39.34 39.84 2bkr n TYR 161 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2bkr n ASP 162 N -1.10 0.88 -0.24 9.48 8.00 -1.26 -4.38 116.55 127.92 2bkr n ASP 162 Ca 0.00 -1.52 0.05 0.00 0.71 0.00 0.00 54.79 54.03 2bkr n ASP 162 Cb 0.05 -0.05 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 2bkr n ASP 162 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bkr h GLY 164 N 0.30 1.02 2.00 0.00 0.00 -1.83 -2.08 103.07 102.49 2bkr h GLY 164 Ca 0.39 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2bkr h GLY 164 CO -0.47 0.33 -0.58 -0.33 0.00 0.00 0.00 176.54 175.50 2bkr h MET 165 N 0.93 0.00 -0.47 4.80 2.07 -1.39 -2.45 114.93 118.42 2bkr h MET 165 Ca 0.29 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.83 2bkr h MET 165 Cb 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.71 2bkr h MET 165 CO -0.08 0.58 -0.05 1.88 1.07 0.00 0.00 176.91 180.31 2bkr h TYR 166 N 0.00 0.88 0.10 -0.22 0.05 -0.75 0.62 116.97 117.63 2bkr h TYR 166 Ca -0.01 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 2bkr h TYR 166 Cb 1.05 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2bkr h TYR 166 CO 0.00 0.83 -0.05 0.28 -1.05 0.00 0.00 178.16 178.18 2bkr h VAL 167 N 0.74 0.91 -0.12 -2.88 2.07 -1.08 0.77 116.25 116.67 2bkr h VAL 167 Ca 0.13 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2bkr h VAL 167 Cb 0.53 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2bkr h VAL 167 CO 0.03 0.00 0.04 0.40 0.02 0.00 0.00 177.57 178.07 2bkr h ILE 168 N -0.14 1.16 -0.20 4.57 2.04 -1.17 -2.30 117.51 121.48 2bkr h ILE 168 Ca -0.01 -0.50 -0.14 0.00 1.00 0.00 0.00 64.86 65.21 2bkr h ILE 168 Cb 0.11 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2bkr h ILE 168 CO 0.02 0.15 -0.47 0.00 0.00 0.00 0.00 178.15 177.85 2bkr h ASN 170 N 0.42 0.93 -0.47 0.00 2.35 -0.83 -0.72 115.58 117.26 2bkr h ASN 170 Ca 0.02 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2bkr h ASN 170 Cb 0.98 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 2bkr h ASN 170 CO 0.09 0.71 0.31 0.74 -1.65 0.00 0.00 177.43 177.62 2bkr h THR 171 N 1.07 1.10 -0.19 2.81 2.02 -1.08 0.14 112.91 118.78 2bkr h THR 171 Ca 0.28 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2bkr h THR 171 Cb -0.06 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2bkr h THR 171 CO -0.06 0.11 0.05 -0.08 0.37 0.00 0.00 175.52 175.92 2bkr h GLU 172 N 0.62 0.30 -0.23 6.66 4.57 -1.04 -0.97 114.58 124.49 2bkr h GLU 172 Ca 0.18 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2bkr h GLU 172 Cb -0.05 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2bkr h GLU 172 CO -0.05 0.42 -0.37 0.00 -1.18 0.00 0.00 179.01 177.83 2bkr h ALA 173 N 0.87 0.93 -0.45 2.92 0.00 -0.97 -1.08 119.26 121.49 2bkr h ALA 173 Ca 0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2bkr h ALA 173 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bkr h ALA 173 CO -0.00 0.62 -0.23 -0.07 0.00 0.00 0.00 179.25 179.57 2bkr h LEU 174 N 0.43 0.97 -1.03 0.00 3.38 -0.82 -1.65 115.31 116.59 2bkr h LEU 174 Ca 0.04 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2bkr h LEU 174 Cb 0.84 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2bkr h LEU 174 CO 0.07 1.17 0.37 0.00 0.09 0.00 0.00 178.44 180.13 2bkr h GLN 176 N 1.05 0.37 -0.61 0.00 1.08 -0.92 0.15 115.11 116.23 2bkr h GLN 176 Ca 0.26 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.38 2bkr h GLN 176 Cb 0.09 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2bkr h GLN 176 CO -0.04 0.24 0.15 -0.91 -0.95 0.00 0.00 178.83 177.33 2bkr h ASN 177 N 0.38 0.92 -0.09 1.46 2.35 -0.86 -1.32 115.58 118.41 2bkr h ASN 177 Ca 0.16 -0.23 -0.23 0.00 -0.55 0.00 0.00 56.30 55.44 2bkr h ASN 177 Cb 0.07 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.21 2bkr h ASN 177 CO -0.11 0.91 -0.85 -0.26 -1.65 0.00 0.00 177.43 175.47 2bkr h PHE 178 N 0.88 1.03 -0.00 1.19 0.04 -0.06 -3.35 116.94 116.67 2bkr h PHE 178 Ca 0.19 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2bkr h PHE 178 Cb 0.35 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.36 2bkr h PHE 178 CO 0.03 1.33 -0.13 1.19 -0.60 0.00 0.00 178.31 180.12 2bkr n PHE 179 N -3.94 0.00 -0.87 -0.55 3.72 0.51 -4.62 117.46 111.71 2bkr n PHE 179 Ca -0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.34 2bkr n PHE 179 Cb 0.78 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.36 2bkr n PHE 179 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2bkr n ARG 180 N -0.66 1.33 -2.42 -1.08 5.12 -0.52 -5.01 116.66 113.42 2bkr n ARG 180 Ca 0.01 -1.47 -0.18 0.00 -1.93 0.00 0.00 57.85 54.28 2bkr n ARG 180 Cb 0.08 -0.93 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 2bkr n ARG 180 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2bkr n GLN 181 N -0.54 -1.87 -2.23 5.56 3.00 -1.14 -4.93 117.38 115.23 2bkr n GLN 181 Ca 0.04 0.89 -0.29 0.00 -0.01 0.00 0.00 57.00 57.63 2bkr n GLN 181 Cb 0.49 -5.54 0.01 0.00 0.00 0.00 0.00 30.24 25.20 2bkr n GLN 181 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2bkr s GLN 182 N -5.05 3.38 -0.51 -1.09 -1.52 -1.06 -5.01 119.66 108.80 2bkr s GLN 182 Ca 0.00 0.40 0.07 0.00 -1.95 0.00 0.00 55.36 53.88 2bkr s GLN 182 Cb -0.00 -2.21 0.35 0.00 -0.22 0.00 0.00 33.01 30.93 2bkr s GLN 182 CO 0.00 -0.51 0.90 0.25 -0.25 0.00 0.00 175.29 175.68 2bkr n THR 183 N -2.58 2.14 -2.78 -0.19 -2.24 -1.26 -4.39 114.28 102.98 2bkr n THR 183 Ca 0.04 -5.22 -0.41 0.00 -2.27 0.00 0.00 64.05 56.19 2bkr n THR 183 Cb 0.55 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 2bkr n THR 183 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bkr s GLU 184 N -3.20 4.54 -0.22 -0.78 2.02 -1.26 -5.01 118.70 114.79 2bkr s GLU 184 Ca 0.46 1.31 -0.28 0.00 0.02 0.00 0.00 54.97 56.48 2bkr s GLU 184 Cb 0.31 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2bkr s GLU 184 CO -0.12 -0.00 0.99 0.45 0.02 0.00 0.00 175.26 176.60 2bkr s SER 185 N 0.88 7.05 0.22 -0.19 0.15 -1.26 -4.95 113.70 115.60 2bkr s SER 185 Ca 0.49 1.32 -0.07 0.00 0.70 0.00 0.00 55.95 58.39 2bkr s SER 185 Cb -0.21 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.77 2bkr s SER 185 CO 0.26 -0.62 1.74 -0.07 1.20 0.00 0.00 173.24 175.75 2bkr h LEU 186 N 9.28 1.02 -1.37 3.45 3.38 -1.98 -2.10 115.31 126.99 2bkr h LEU 186 Ca -0.21 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2bkr h LEU 186 Cb 1.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2bkr h LEU 186 CO 0.95 0.98 -0.29 -0.07 0.09 0.00 0.00 178.44 180.10 2bkr h LEU 187 N 1.02 0.04 0.17 1.67 3.38 -1.92 -1.28 115.31 118.39 2bkr h LEU 187 Ca 0.21 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 2bkr h LEU 187 Cb 0.36 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2bkr h LEU 187 CO 0.00 0.33 -1.44 -0.61 0.09 0.00 0.00 178.44 176.81 2bkr h GLN 188 N 0.04 0.36 0.16 1.13 5.75 -1.95 -3.39 115.11 117.22 2bkr h GLN 188 Ca 0.00 -0.62 -0.26 0.00 -0.15 0.00 0.00 58.65 57.62 2bkr h GLN 188 Cb 0.53 0.23 0.02 0.00 1.07 0.00 0.00 27.48 29.33 2bkr h GLN 188 CO 0.04 1.27 -1.25 1.25 -2.65 0.00 0.00 178.83 177.49 2bkr h LEU 189 N 0.10 0.53 -7.02 -2.39 5.85 -1.16 -3.40 115.31 107.82 2bkr h LEU 189 Ca -0.22 -0.91 -0.75 0.00 0.84 0.00 0.00 57.88 56.84 2bkr h LEU 189 Cb 2.06 -0.17 -0.17 0.00 0.37 0.00 0.00 40.66 42.75 2bkr h LEU 189 CO 0.21 1.57 1.71 0.18 -0.34 0.00 0.00 178.44 181.78 2bkr n LEU 190 N -3.92 6.02 -4.93 2.25 4.77 -0.50 -4.77 117.00 115.90 2bkr n LEU 190 Ca -0.19 -4.57 -0.25 0.00 -0.03 0.00 0.00 56.01 50.97 2bkr n LEU 190 Cb 0.93 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 2bkr n LEU 190 CO 0.49 1.09 0.42 0.42 -1.33 0.00 0.00 177.39 178.49 2bkr s THR 191 N 0.86 3.72 0.24 -5.08 -4.23 -1.26 -4.73 115.64 105.16 2bkr s THR 191 Ca 0.41 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 2bkr s THR 191 Cb 0.04 -3.43 0.20 0.00 1.34 0.00 0.00 72.50 70.64 2bkr s THR 191 CO 0.00 -0.38 1.78 -0.65 -0.54 0.00 0.00 174.62 174.83 2bkr h PRO 192 N 0.06 0.62 -0.06 3.99 0.11 -1.93 -1.62 132.00 133.17 2bkr h PRO 192 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2bkr h PRO 192 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2bkr h PRO 192 CO 0.59 0.41 -0.18 0.00 -0.21 0.00 0.00 178.00 178.61 2bkr h ALA 193 N 1.46 1.59 -0.20 -0.75 0.00 -1.97 -1.94 119.26 117.45 2bkr h ALA 193 Ca 0.38 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2bkr h ALA 193 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bkr h ALA 193 CO -0.28 0.30 -0.57 -0.92 0.00 0.00 0.00 179.25 177.78 2bkr h TYR 194 N 0.10 0.96 -0.47 0.00 3.20 -1.63 -1.16 116.97 117.96 2bkr h TYR 194 Ca 0.02 -0.38 0.01 0.00 3.14 0.00 0.00 58.73 61.52 2bkr h TYR 194 Cb 0.37 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2bkr h TYR 194 CO 0.00 1.18 0.31 0.82 -1.64 0.00 0.00 178.16 178.83 2bkr h ILE 195 N 0.46 1.11 -0.50 1.81 1.08 -1.11 -1.15 117.51 119.20 2bkr h ILE 195 Ca -0.01 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2bkr h ILE 195 Cb 1.19 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 2bkr h ILE 195 CO 0.12 0.11 0.29 0.74 -0.69 0.00 0.00 178.15 178.72 2bkr h THR 196 N 0.62 1.16 -0.94 -0.27 2.02 -1.21 -2.07 112.91 112.23 2bkr h THR 196 Ca 0.18 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2bkr h THR 196 Cb -0.06 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 2bkr h THR 196 CO -0.05 0.17 0.62 0.50 0.37 0.00 0.00 175.52 177.13 2bkr h LYS 197 N 0.67 1.21 0.00 6.66 3.64 -0.99 -2.60 116.57 125.15 2bkr h LYS 197 Ca 0.18 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2bkr h LYS 197 Cb 0.02 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2bkr h LYS 197 CO -0.03 0.80 -0.28 0.87 -2.27 0.00 0.00 179.45 178.53 2bkr h LYS 198 N 1.24 0.00 -0.44 1.90 1.79 -0.81 -0.24 116.57 120.02 2bkr h LYS 198 Ca 0.35 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 2bkr h LYS 198 Cb -0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2bkr h LYS 198 CO -0.09 0.28 0.23 0.00 -1.08 0.00 0.00 179.45 178.80 2bkr h ARG 199 N 0.00 0.62 -0.47 3.15 3.08 -0.98 0.34 114.38 120.12 2bkr h ARG 199 Ca -0.00 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 2bkr h ARG 199 Cb 0.63 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2bkr h ARG 199 CO 0.04 0.50 -0.20 0.78 -1.07 0.00 0.00 179.97 180.02 2bkr h GLY 200 N 0.57 1.02 1.03 0.04 0.00 -1.23 -2.11 103.07 102.38 2bkr h GLY 200 Ca 0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2bkr h GLY 200 CO -0.02 0.80 0.11 0.83 0.00 0.00 0.00 176.54 178.26 2bkr h GLU 201 N 0.82 0.97 -0.38 4.80 5.08 -0.80 -1.66 114.58 123.41 2bkr h GLU 201 Ca 0.11 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2bkr h GLU 201 Cb 0.75 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2bkr h GLU 201 CO 0.06 0.91 0.21 -1.49 -1.00 0.00 0.00 179.01 177.70 2bkr h TRP 202 N 0.88 0.52 -0.67 4.33 4.06 -0.90 -0.78 115.95 123.38 2bkr h TRP 202 Ca 0.18 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.22 2bkr h TRP 202 Cb 0.40 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 28.32 2bkr h TRP 202 CO 0.03 0.40 0.29 0.87 -3.56 0.00 0.00 178.44 176.48 2bkr h LYS 203 N 0.48 0.49 -0.43 0.49 1.57 -1.22 -0.96 116.57 116.98 2bkr h LYS 203 Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2bkr h LYS 203 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2bkr h LYS 203 CO -0.02 0.32 0.24 -0.44 -0.57 0.00 0.00 179.45 178.99 2bkr h ASP 204 N 0.50 0.54 -0.67 0.86 3.32 -1.12 -1.54 116.42 118.30 2bkr h ASP 204 Ca 0.34 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2bkr h ASP 204 Cb 0.40 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2bkr h ASP 204 CO -0.30 0.46 0.44 0.25 -1.72 0.00 0.00 179.24 178.37 2bkr h LEU 205 N 0.57 0.75 -0.62 1.55 5.85 -0.68 -0.25 115.31 122.48 2bkr h LEU 205 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2bkr h LEU 205 Cb 0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2bkr h LEU 205 CO -0.03 0.53 0.33 0.40 -0.34 0.00 0.00 178.44 179.34 2bkr h ILE 206 N 0.88 1.20 -0.56 4.05 2.04 -0.97 -0.24 117.51 123.91 2bkr h ILE 206 Ca 0.25 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2bkr h ILE 206 Cb -0.07 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2bkr h ILE 206 CO -0.07 0.22 0.28 0.00 0.00 0.00 0.00 178.15 178.58 2bkr h ALA 207 N 1.15 0.72 -0.06 1.87 0.00 -0.88 -0.56 119.26 121.50 2bkr h ALA 207 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bkr h ALA 207 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2bkr h ALA 207 CO -0.03 0.27 0.03 1.15 0.00 0.00 0.00 179.25 180.67 2bkr h THR 208 N 0.76 1.11 -0.20 0.00 2.02 -0.71 -2.86 112.91 113.03 2bkr h THR 208 Ca 0.19 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2bkr h THR 208 Cb 0.10 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2bkr h THR 208 CO -0.03 0.09 -0.06 -0.07 0.37 0.00 0.00 175.52 175.82 2bkr h LEU 209 N -0.02 0.28 -1.62 2.58 3.38 -0.87 -2.31 115.31 116.73 2bkr h LEU 209 Ca 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2bkr h LEU 209 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2bkr h LEU 209 CO -0.00 0.39 -0.20 0.00 0.09 0.00 0.00 178.44 178.71 2bkr h ALA 210 N 1.65 1.30 -2.02 1.53 0.00 -0.88 -3.44 119.26 117.41 2bkr h ALA 210 Ca 0.06 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.34 2bkr h ALA 210 Cb 0.30 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.15 2bkr h ALA 210 CO 0.01 0.25 0.20 0.15 0.00 0.00 0.00 179.25 179.86 2bkr s LYS 211 N -4.15 1.91 0.00 0.00 3.01 -0.87 -5.02 119.74 114.62 2bkr s LYS 211 Ca -0.02 -0.51 0.00 0.00 -1.01 0.00 0.00 55.97 54.43 2bkr s LYS 211 Cb 0.13 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.76 2bkr s LYS 211 CO 0.63 -1.39 0.00 1.17 0.51 0.00 0.00 175.35 176.28