#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s PHE -8 N 0.00 3.34 -0.38 3.69 5.36 -1.26 -5.01 117.98 123.73 3bdm s PHE -8 Ca 0.00 1.43 -0.10 0.00 -0.96 0.00 0.00 56.93 57.30 3bdm s PHE -8 Cb 0.00 -3.29 0.04 0.00 -0.34 0.00 0.00 43.02 39.43 3bdm s PHE -8 CO 0.00 -0.65 0.21 1.21 -1.46 0.00 0.00 175.22 174.53 3bdm s ASN -7 N 1.28 5.70 0.21 6.13 3.04 -1.26 -4.96 114.94 125.08 3bdm s ASN -7 Ca 0.50 -1.11 0.20 0.00 0.04 0.00 0.00 52.86 52.49 3bdm s ASN -7 Cb -0.19 -2.01 0.88 0.00 -1.54 0.00 0.00 41.25 38.39 3bdm s ASN -7 CO 0.16 -0.42 1.60 -0.81 -3.04 0.00 0.00 177.10 174.59 3bdm n PRO -6 N 4.98 0.13 -4.16 0.43 -0.04 -1.26 -4.81 135.00 130.27 3bdm n PRO -6 Ca -0.12 0.44 -0.25 0.00 -0.04 0.00 0.00 63.50 63.54 3bdm n PRO -6 Cb 0.45 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 3bdm n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bdm s TYR -5 N -3.29 2.97 0.33 0.54 1.51 -1.26 -5.09 117.35 113.07 3bdm s TYR -5 Ca 0.03 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 3bdm s TYR -5 Cb 0.08 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.53 3bdm s TYR -5 CO 0.30 0.53 0.45 0.20 -1.11 0.00 0.00 175.55 175.92 3bdm s GLY -4 N -3.24 1.50 -0.06 0.71 0.00 -1.26 -5.16 107.32 99.80 3bdm s GLY -4 Ca 0.30 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 3bdm s GLY -4 CO 0.21 -1.02 -0.02 -0.35 0.00 0.00 0.00 173.10 171.93 3bdm s ASP -3 N -3.23 1.37 -0.24 1.64 3.68 -1.26 -4.27 116.67 114.36 3bdm s ASP -3 Ca 0.31 -0.11 0.13 0.00 2.13 0.00 0.00 52.55 55.01 3bdm s ASP -3 Cb -0.00 -0.45 0.53 0.00 -1.45 0.00 0.00 42.92 41.55 3bdm s ASP -3 CO 0.20 -0.14 1.47 0.59 0.13 0.00 0.00 175.17 177.41 3bdm n ASN -2 N 4.77 3.36 0.00 -0.34 4.13 -1.00 -4.47 115.26 121.71 3bdm n ASN -2 Ca -0.14 -3.34 0.00 0.00 1.68 0.00 0.00 54.58 52.79 3bdm n ASN -2 Cb 0.50 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 3bdm n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bdm n GLY -1 N -0.77 3.21 0.62 7.41 0.00 -1.26 -2.54 105.19 111.86 3bdm n GLY -1 Ca 0.28 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3bdm n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 1 N 0.00 -3.04 3.26 -0.02 0.00 -1.26 -4.28 105.19 99.85 3bdm n GLY 1 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3bdm n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 2 N -3.80 -0.01 0.20 2.61 2.01 -1.26 -1.35 115.64 114.04 3bdm s THR 2 Ca 0.00 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.13 3bdm s THR 2 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3bdm s THR 2 CO 0.00 0.01 -0.19 0.27 -0.69 0.00 0.00 174.62 174.02 3bdm s ILE 3 N 0.57 2.07 -0.06 1.82 -4.36 0.19 -2.34 121.20 119.09 3bdm s ILE 3 Ca -0.03 -2.09 -0.04 0.00 -0.26 0.00 0.00 60.65 58.23 3bdm s ILE 3 Cb -0.05 -2.04 0.03 0.00 1.25 0.00 0.00 42.46 41.65 3bdm s ILE 3 CO -0.03 -0.33 0.15 -0.22 0.24 0.00 0.00 174.94 174.75 3bdm s LEU 4 N -2.94 1.10 -0.07 0.37 2.96 0.15 0.09 118.68 120.34 3bdm s LEU 4 Ca 0.21 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3bdm s LEU 4 Cb -0.05 0.45 0.02 0.00 0.50 0.00 0.00 46.19 47.11 3bdm s LEU 4 CO 0.09 -0.10 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.14 3bdm s GLY 5 N 0.58 0.64 -0.03 7.98 0.00 0.55 0.64 107.32 117.68 3bdm s GLY 5 Ca -0.04 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.44 3bdm s GLY 5 CO -0.03 0.62 -0.18 -0.42 0.00 0.00 0.00 173.10 173.10 3bdm s ILE 6 N 1.31 1.48 -0.22 0.90 1.01 -0.05 -0.14 121.20 125.49 3bdm s ILE 6 Ca -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3bdm s ILE 6 Cb -0.14 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3bdm s ILE 6 CO -0.03 0.42 0.01 0.00 0.00 0.00 0.00 174.94 175.35 3bdm s ALA 7 N -0.18 3.03 0.63 9.38 0.00 0.51 -0.40 121.76 134.74 3bdm s ALA 7 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3bdm s ALA 7 Cb -0.10 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.23 3bdm s ALA 7 CO 0.01 -0.30 0.43 0.41 0.00 0.00 0.00 175.76 176.31 3bdm n GLY 8 N 4.54 0.29 0.23 0.00 0.00 0.17 -4.92 105.19 105.51 3bdm n GLY 8 Ca -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3bdm n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bdm h GLU 9 N 0.00 0.66 0.00 1.61 4.81 -1.92 -2.39 114.58 117.35 3bdm h GLU 9 Ca -0.14 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3bdm h GLU 9 Cb 0.48 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3bdm h GLU 9 CO 0.14 0.97 -0.31 -0.40 -0.73 0.00 0.00 179.01 178.68 3bdm n ASP 10 N -4.01 0.67 -3.22 1.04 5.75 -1.26 -2.74 116.55 112.78 3bdm n ASP 10 Ca -0.02 -2.18 -0.12 0.00 -0.01 0.00 0.00 54.79 52.46 3bdm n ASP 10 Cb 0.55 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 3bdm n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3bdm s PHE 11 N -0.77 0.57 0.04 2.11 -0.12 -1.25 -4.36 117.98 114.20 3bdm s PHE 11 Ca 0.08 -1.00 -0.24 0.00 -0.05 0.00 0.00 56.93 55.72 3bdm s PHE 11 Cb 0.07 0.34 0.06 0.00 -0.63 0.00 0.00 43.02 42.86 3bdm s PHE 11 CO 0.01 -1.30 0.56 0.00 -0.05 0.00 0.00 175.22 174.44 3bdm s ALA 12 N -2.89 -1.45 0.01 1.99 0.00 -0.72 0.45 121.76 119.16 3bdm s ALA 12 Ca 0.23 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3bdm s ALA 12 Cb -0.03 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3bdm s ALA 12 CO 0.15 -0.51 -0.06 0.14 0.00 0.00 0.00 175.76 175.48 3bdm s VAL 13 N -2.34 0.45 -0.13 0.00 -7.23 0.47 -0.09 120.40 111.52 3bdm s VAL 13 Ca -0.06 -0.56 -0.02 0.00 -1.81 0.00 0.00 61.98 59.53 3bdm s VAL 13 Cb -0.01 -0.44 0.04 0.00 0.56 0.00 0.00 36.38 36.53 3bdm s VAL 13 CO -0.01 -0.09 0.01 -0.22 -0.31 0.00 0.00 175.10 174.49 3bdm s LEU 14 N -0.70 0.89 0.31 1.32 0.20 -0.67 -0.87 118.68 119.15 3bdm s LEU 14 Ca -0.03 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.43 3bdm s LEU 14 Cb -0.05 -0.53 -0.06 0.00 -0.43 0.00 0.00 46.19 45.12 3bdm s LEU 14 CO 0.00 -0.24 -0.08 0.00 -0.29 0.00 0.00 176.35 175.74 3bdm s ALA 15 N 1.91 2.60 -0.08 5.97 0.00 0.21 -1.68 121.76 130.69 3bdm s ALA 15 Ca 0.02 -1.98 -0.30 0.00 0.00 0.00 0.00 51.96 49.71 3bdm s ALA 15 Cb -0.15 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.16 3bdm s ALA 15 CO -0.07 -0.00 0.90 0.20 0.00 0.00 0.00 175.76 176.79 3bdm s GLY 16 N -3.51 -0.40 0.85 0.00 0.00 -0.84 0.35 107.32 103.77 3bdm s GLY 16 Ca 0.31 1.50 -0.12 0.00 0.00 0.00 0.00 44.72 46.41 3bdm s GLY 16 CO 0.14 0.73 1.11 0.51 0.00 0.00 0.00 173.10 175.59 3bdm s ASP 17 N -1.70 4.04 -0.32 1.64 3.84 -0.99 -1.87 116.67 121.31 3bdm s ASP 17 Ca -0.00 1.16 0.07 0.00 -0.00 0.00 0.00 52.55 53.78 3bdm s ASP 17 Cb -0.01 -1.83 0.46 0.00 -1.38 0.00 0.00 42.92 40.17 3bdm s ASP 17 CO -0.02 -2.24 1.35 0.35 -0.00 0.00 0.00 175.17 174.62 3bdm n THR 18 N -3.59 2.61 -4.16 2.11 -2.24 0.27 -4.71 114.28 104.58 3bdm n THR 18 Ca 0.07 -3.61 -0.35 0.00 -2.27 0.00 0.00 64.05 57.89 3bdm n THR 18 Cb 0.57 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 3bdm n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bdm s ARG 19 N -3.50 3.41 -0.13 -0.78 3.52 -1.26 -2.30 118.95 117.91 3bdm s ARG 19 Ca 0.49 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 3bdm s ARG 19 Cb 0.41 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3bdm s ARG 19 CO 0.01 0.57 -0.16 1.21 -0.81 0.00 0.00 175.30 176.12 3bdm s ASN 20 N -0.49 2.68 0.35 -2.12 3.84 -0.66 -4.17 114.94 114.37 3bdm s ASN 20 Ca 0.10 -0.49 0.05 0.00 0.21 0.00 0.00 52.86 52.72 3bdm s ASN 20 Cb -0.12 -1.20 -0.07 0.00 -0.55 0.00 0.00 41.25 39.31 3bdm s ASN 20 CO 0.02 -0.01 0.04 0.27 -2.79 0.00 0.00 177.10 174.64 3bdm s ILE 21 N 1.19 1.44 -0.25 -5.21 -5.25 -1.05 0.25 121.20 112.31 3bdm s ILE 21 Ca -0.01 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 57.63 3bdm s ILE 21 Cb -0.14 -2.85 0.13 0.00 2.95 0.00 0.00 42.46 42.54 3bdm s ILE 21 CO -0.06 0.00 0.32 -0.89 -1.79 0.00 0.00 174.94 172.51 3bdm s THR 22 N -3.11 -0.48 0.00 8.37 2.01 -0.63 -4.01 115.64 117.80 3bdm s THR 22 Ca 0.36 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3bdm s THR 22 Cb 0.09 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3bdm s THR 22 CO 0.16 -0.26 0.00 0.47 -0.69 0.00 0.00 174.62 174.31 3bdm n ASP 23 N 5.34 0.00 -1.23 3.53 10.43 -1.26 -1.54 116.55 131.82 3bdm n ASP 23 Ca -0.03 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.44 3bdm n ASP 23 Cb 0.49 0.00 0.29 0.00 1.84 0.00 0.00 41.12 43.74 3bdm n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3bdm n TYR 24 N 12.97 0.86 -4.03 1.24 4.02 -1.26 -4.96 117.16 126.01 3bdm n TYR 24 Ca 0.00 -0.48 -0.29 0.00 -0.01 0.00 0.00 57.90 57.13 3bdm n TYR 24 Cb 0.00 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.26 3bdm n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3bdm s SER 25 N -1.04 5.74 -0.25 7.72 0.01 -0.59 -5.09 113.70 120.21 3bdm s SER 25 Ca 0.44 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.64 3bdm s SER 25 Cb 0.23 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.84 3bdm s SER 25 CO 0.30 0.12 0.08 -0.63 0.41 0.00 0.00 173.24 173.52 3bdm s ILE 26 N -1.57 4.41 0.05 1.44 1.01 -1.26 -1.61 121.20 123.68 3bdm s ILE 26 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 3bdm s ILE 26 Cb -0.11 -3.06 -0.28 0.00 0.01 0.00 0.00 42.46 39.01 3bdm s ILE 26 CO 0.24 0.34 1.06 0.78 0.00 0.00 0.00 174.94 177.36 3bdm h ASN 27 N 8.14 0.41 -3.52 3.58 2.35 -0.53 -3.48 115.58 122.53 3bdm h ASN 27 Ca -0.38 -0.47 0.02 0.00 -0.55 0.00 0.00 56.30 54.92 3bdm h ASN 27 Cb 1.18 -0.13 -0.24 0.00 0.05 0.00 0.00 38.32 39.17 3bdm h ASN 27 CO 0.58 1.38 0.33 -0.55 -1.65 0.00 0.00 177.43 177.51 3bdm s SER 28 N -7.08 -0.57 0.14 5.81 0.15 -1.03 -4.99 113.70 106.14 3bdm s SER 28 Ca -0.05 1.09 0.25 0.00 0.70 0.00 0.00 55.95 57.94 3bdm s SER 28 Cb 0.07 1.11 0.51 0.00 -1.71 0.00 0.00 66.02 66.00 3bdm s SER 28 CO 0.87 -0.19 1.48 0.54 1.20 0.00 0.00 173.24 177.14 3bdm n ARG 29 N 2.39 0.27 -3.46 5.44 1.74 -1.26 -1.66 116.66 120.11 3bdm n ARG 29 Ca -0.13 0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3bdm n ARG 29 Cb 0.56 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 3bdm n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3bdm s TYR 30 N -3.14 -0.10 -0.36 -1.55 5.04 -1.05 -4.29 117.35 111.89 3bdm s TYR 30 Ca 0.08 -0.50 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 3bdm s TYR 30 Cb 0.13 -0.66 0.15 0.00 0.35 0.00 0.00 41.96 41.93 3bdm s TYR 30 CO 0.68 -0.88 0.27 -2.00 -1.34 0.00 0.00 175.55 172.28 3bdm s GLU 31 N 2.23 0.60 0.21 4.97 2.56 -0.97 -5.04 118.70 123.26 3bdm s GLU 31 Ca 0.09 -1.22 -0.23 0.00 0.00 0.00 0.00 54.97 53.62 3bdm s GLU 31 Cb -0.15 -1.11 -0.14 0.00 2.00 0.00 0.00 34.13 34.73 3bdm s GLU 31 CO -0.35 -1.22 0.36 -2.30 -0.56 0.00 0.00 175.26 171.20 3bdm n PRO 32 N 4.04 0.00 0.00 4.30 -0.02 -1.26 -4.72 135.00 137.33 3bdm n PRO 32 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3bdm n PRO 32 Cb 0.40 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3bdm n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bdm n LYS 33 N 0.93 2.87 -4.11 -0.52 4.81 -1.26 -5.02 118.16 115.86 3bdm n LYS 33 Ca 0.14 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.23 3bdm n LYS 33 Cb 0.25 -0.67 -0.12 0.00 0.02 0.00 0.00 35.03 34.51 3bdm n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3bdm s VAL 34 N -1.03 4.16 0.14 3.15 1.01 -1.26 -4.44 120.40 122.12 3bdm s VAL 34 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3bdm s VAL 34 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3bdm s VAL 34 CO 0.00 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.96 3bdm s PHE 35 N 0.78 1.97 -0.48 5.22 0.08 0.04 -4.96 117.98 120.63 3bdm s PHE 35 Ca 0.01 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 3bdm s PHE 35 Cb -0.14 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3bdm s PHE 35 CO 0.02 0.31 0.62 0.34 -0.10 0.00 0.00 175.22 176.41 3bdm s ASP 36 N -2.24 6.25 0.00 1.36 3.68 -1.26 -0.83 116.67 123.63 3bdm s ASP 36 Ca 0.12 -0.74 0.29 0.00 2.13 0.00 0.00 52.55 54.35 3bdm s ASP 36 Cb -0.09 -2.29 1.20 0.00 -1.45 0.00 0.00 42.92 40.29 3bdm s ASP 36 CO 0.06 -0.84 1.83 0.00 0.13 0.00 0.00 175.17 176.34 3bdm n GLY 38 N 1.17 0.64 3.46 0.00 0.00 -1.23 -4.91 105.19 104.33 3bdm n GLY 38 Ca 0.19 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 3bdm n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 39 N -0.05 -2.76 -3.76 1.61 9.92 -1.26 -0.50 116.55 119.75 3bdm n ASP 39 Ca 0.00 -0.41 -0.24 0.00 -0.53 0.00 0.00 54.79 53.60 3bdm n ASP 39 Cb 0.00 -2.34 0.04 0.00 -0.64 0.00 0.00 41.12 38.18 3bdm n ASP 39 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3bdm n ASN 40 N -2.17 -2.81 -4.03 -2.24 5.03 -1.26 -4.85 115.26 102.93 3bdm n ASN 40 Ca 0.02 -0.78 -0.28 0.00 0.87 0.00 0.00 54.58 54.40 3bdm n ASN 40 Cb 0.51 -4.10 -0.17 0.00 -1.02 0.00 0.00 39.78 35.01 3bdm n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3bdm s ILE 41 N -3.51 1.44 -0.04 2.41 1.01 0.34 -4.36 121.20 118.50 3bdm s ILE 41 Ca 0.27 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3bdm s ILE 41 Cb -0.14 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3bdm s ILE 41 CO 0.81 0.43 -0.03 0.68 0.00 0.00 0.00 174.94 176.83 3bdm s VAL 42 N 1.13 4.00 0.05 2.92 -7.23 -0.42 -0.99 120.40 119.86 3bdm s VAL 42 Ca -0.04 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 3bdm s VAL 42 Cb -0.14 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3bdm s VAL 42 CO -0.04 0.51 -0.00 -0.32 -0.31 0.00 0.00 175.10 174.94 3bdm s MET 43 N -1.13 0.60 -0.28 4.82 0.00 -0.01 -0.55 119.30 122.76 3bdm s MET 43 Ca 0.15 -1.12 -0.12 0.00 0.00 0.00 0.00 55.69 54.60 3bdm s MET 43 Cb -0.11 0.22 0.10 0.00 0.00 0.00 0.00 34.83 35.04 3bdm s MET 43 CO 0.05 -0.12 0.65 0.45 0.00 0.00 0.00 175.02 176.04 3bdm s SER 44 N -2.74 -1.00 -0.35 1.11 0.15 -0.33 -0.78 113.70 109.76 3bdm s SER 44 Ca 0.04 1.50 -0.04 0.00 0.70 0.00 0.00 55.95 58.15 3bdm s SER 44 Cb 0.06 1.83 0.07 0.00 -1.71 0.00 0.00 66.02 66.26 3bdm s SER 44 CO -0.09 -0.23 0.10 0.00 1.20 0.00 0.00 173.24 174.23 3bdm s ALA 45 N 2.31 3.01 -0.04 5.45 0.00 -1.26 -0.93 121.76 130.29 3bdm s ALA 45 Ca -0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 49.86 3bdm s ALA 45 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3bdm s ALA 45 CO -0.19 -1.47 0.07 1.21 0.00 0.00 0.00 175.76 175.38 3bdm s ASN 46 N 1.52 5.65 0.00 0.00 3.84 -0.41 -4.54 114.94 121.00 3bdm s ASN 46 Ca 0.00 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.25 3bdm s ASN 46 Cb -0.21 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.85 3bdm s ASN 46 CO -0.01 0.32 0.00 0.61 -2.79 0.00 0.00 177.10 175.23 3bdm n GLY 47 N 1.53 0.58 3.46 1.21 0.00 -1.26 0.09 105.19 110.81 3bdm n GLY 47 Ca -0.15 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3bdm n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bdm s PHE 48 N 0.00 2.84 0.32 1.61 5.36 -0.17 -2.37 117.98 125.57 3bdm s PHE 48 Ca 0.00 -0.42 0.07 0.00 -0.96 0.00 0.00 56.93 55.61 3bdm s PHE 48 Cb 0.00 -4.01 0.88 0.00 -0.34 0.00 0.00 43.02 39.56 3bdm s PHE 48 CO 0.00 -1.36 1.61 0.00 -1.46 0.00 0.00 175.22 174.00 3bdm h ALA 49 N 9.30 1.47 -0.44 11.12 0.00 -1.88 0.51 119.26 139.34 3bdm h ALA 49 Ca -0.28 0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3bdm h ALA 49 Cb 1.08 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3bdm h ALA 49 CO 1.09 -0.61 0.26 0.00 0.00 0.00 0.00 179.25 179.99 3bdm h ALA 50 N 1.90 0.56 -0.18 0.00 0.00 -1.97 0.61 119.26 120.18 3bdm h ALA 50 Ca 0.64 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.40 3bdm h ALA 50 Cb 1.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3bdm h ALA 50 CO -0.77 -0.05 -0.48 -0.44 0.00 0.00 0.00 179.25 177.51 3bdm h ASP 51 N 0.53 0.52 -0.50 0.00 3.45 -1.37 -2.22 116.42 116.83 3bdm h ASP 51 Ca 0.17 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.37 3bdm h ASP 51 Cb 0.01 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 3bdm h ASP 51 CO -0.08 0.91 0.27 1.23 -1.57 0.00 0.00 179.24 180.01 3bdm h GLY 52 N 1.13 0.74 1.08 2.75 0.00 -0.23 -1.56 103.07 106.99 3bdm h GLY 52 Ca 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 3bdm h GLY 52 CO 0.09 0.32 -0.47 -0.55 0.00 0.00 0.00 176.54 175.92 3bdm h ASP 53 N 0.66 0.90 -0.63 0.19 3.45 -0.86 -2.25 116.42 117.89 3bdm h ASP 53 Ca 0.18 -0.52 0.08 0.00 0.43 0.00 0.00 57.03 57.19 3bdm h ASP 53 Cb 0.05 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 38.50 3bdm h ASP 53 CO -0.03 1.26 0.30 0.00 -1.57 0.00 0.00 179.24 179.20 3bdm h ALA 54 N 0.67 0.84 0.31 3.45 0.00 -1.23 -0.45 119.26 122.86 3bdm h ALA 54 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3bdm h ALA 54 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3bdm h ALA 54 CO 0.11 -0.08 -0.15 1.25 0.00 0.00 0.00 179.25 180.38 3bdm h LEU 55 N 0.54 -0.36 -0.26 0.00 5.85 -1.21 -0.93 115.31 118.94 3bdm h LEU 55 Ca 0.30 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3bdm h LEU 55 Cb 0.29 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3bdm h LEU 55 CO -0.24 -0.05 -0.19 0.58 -0.34 0.00 0.00 178.44 178.21 3bdm h VAL 56 N -0.68 0.49 -0.52 1.05 2.07 -1.23 0.15 116.25 117.58 3bdm h VAL 56 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3bdm h VAL 56 Cb 0.47 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3bdm h VAL 56 CO 0.07 0.00 0.07 0.50 0.02 0.00 0.00 177.57 178.23 3bdm h LYS 57 N -0.17 0.19 -0.83 1.57 3.64 -1.05 -0.06 116.57 119.86 3bdm h LYS 57 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3bdm h LYS 57 Cb 0.39 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3bdm h LYS 57 CO -0.37 0.13 0.42 -0.09 -2.27 0.00 0.00 179.45 177.27 3bdm h ARG 58 N 0.20 1.18 0.16 1.90 2.43 -0.18 -1.45 114.38 118.62 3bdm h ARG 58 Ca 0.27 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3bdm h ARG 58 Cb 0.39 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3bdm h ARG 58 CO -0.38 0.90 -0.08 0.35 -1.51 0.00 0.00 179.97 179.25 3bdm h PHE 59 N 1.17 -0.20 -0.94 2.20 3.57 0.06 -1.83 116.94 120.97 3bdm h PHE 59 Ca 0.29 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.92 3bdm h PHE 59 Cb 0.09 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3bdm h PHE 59 CO 0.01 0.03 0.55 0.87 -2.23 0.00 0.00 178.31 177.55 3bdm h LYS 60 N -0.42 0.80 0.00 1.11 1.57 -0.91 0.76 116.57 119.48 3bdm h LYS 60 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3bdm h LYS 60 Cb 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3bdm h LYS 60 CO 0.04 0.53 -0.14 -0.97 -0.57 0.00 0.00 179.45 178.34 3bdm h ASN 61 N 0.83 0.00 -0.21 0.86 -0.73 -1.02 -0.92 115.58 114.38 3bdm h ASN 61 Ca 0.49 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.52 3bdm h ASN 61 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.18 3bdm h ASN 61 CO -0.31 0.14 -0.40 -1.28 -0.37 0.00 0.00 177.43 175.21 3bdm h SER 62 N 0.00 0.72 -0.35 1.15 0.87 0.13 -2.73 113.55 113.35 3bdm h SER 62 Ca -0.00 -0.54 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 3bdm h SER 62 Cb 0.27 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3bdm h SER 62 CO 0.02 1.13 0.12 0.58 -0.53 0.00 0.00 176.83 178.15 3bdm h VAL 63 N 0.34 1.18 0.48 2.23 2.07 -0.24 0.48 116.25 122.80 3bdm h VAL 63 Ca 0.01 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3bdm h VAL 63 Cb 1.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3bdm h VAL 63 CO 0.09 0.23 -0.23 0.50 0.02 0.00 0.00 177.57 178.18 3bdm h LYS 64 N 0.60 -0.63 -0.16 1.57 3.64 -1.04 -2.51 116.57 118.04 3bdm h LYS 64 Ca 0.14 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3bdm h LYS 64 Cb 0.20 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3bdm h LYS 64 CO -0.01 -0.41 -0.17 -1.49 -2.27 0.00 0.00 179.45 175.10 3bdm h TRP 65 N -0.67 0.29 -0.70 1.91 4.06 -1.22 -1.80 115.95 117.82 3bdm h TRP 65 Ca -0.07 -0.04 0.08 0.00 2.06 0.00 0.00 58.89 60.93 3bdm h TRP 65 Cb 0.51 -0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 28.52 3bdm h TRP 65 CO -0.04 0.44 0.37 -0.92 -3.56 0.00 0.00 178.44 174.73 3bdm h TYR 66 N 0.25 0.66 0.12 0.49 3.20 -0.68 0.41 116.97 121.43 3bdm h TYR 66 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3bdm h TYR 66 Cb 0.46 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3bdm h TYR 66 CO 0.01 0.27 -0.06 0.45 -1.64 0.00 0.00 178.16 177.18 3bdm h HIS 67 N 0.64 -0.15 -0.45 -3.82 3.86 -0.91 0.16 115.15 114.49 3bdm h HIS 67 Ca 0.34 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.63 3bdm h HIS 67 Cb 0.31 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.76 3bdm h HIS 67 CO -0.10 0.04 -0.02 0.74 0.86 0.00 0.00 177.93 179.46 3bdm h PHE 68 N -0.33 -0.06 -0.04 2.45 0.04 -0.79 0.43 116.94 118.64 3bdm h PHE 68 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3bdm h PHE 68 Cb 0.26 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 3bdm h PHE 68 CO -0.02 -0.11 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.12 3bdm h ASP 69 N 0.09 0.10 -1.76 2.17 3.32 -0.04 -3.35 116.42 116.95 3bdm h ASP 69 Ca 0.22 -0.44 -0.70 0.00 0.02 0.00 0.00 57.03 56.14 3bdm h ASP 69 Cb 0.33 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 39.53 3bdm h ASP 69 CO -0.38 0.51 0.41 1.41 -1.72 0.00 0.00 179.24 179.46 3bdm n HIS 70 N -4.81 3.13 -3.92 4.55 8.25 0.56 -4.94 115.22 118.05 3bdm n HIS 70 Ca -0.08 -2.62 -0.38 0.00 -0.26 0.00 0.00 57.72 54.39 3bdm n HIS 70 Cb 0.25 -0.81 0.02 0.00 1.12 0.00 0.00 29.99 30.57 3bdm n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bdm n ASN 70 N -0.54 -4.62 -1.22 0.41 4.05 -1.00 -1.32 115.26 111.01 3bdm n ASN 70 Ca 0.49 -1.14 -0.11 0.00 0.45 0.00 0.00 54.58 54.27 3bdm n ASN 70 Cb 0.42 -2.03 -0.05 0.00 1.23 0.00 0.00 39.78 39.35 3bdm n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3bdm n ASP 71 N -2.34 -3.14 -4.74 1.20 8.00 0.11 -4.91 116.55 110.73 3bdm n ASP 71 Ca -0.16 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 3bdm n ASP 71 Cb 0.60 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 3bdm n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3bdm n LYS 72 N -1.57 2.34 -2.32 -1.24 4.81 -0.44 -4.92 118.16 114.83 3bdm n LYS 72 Ca -0.11 0.82 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 3bdm n LYS 72 Cb 0.38 -2.50 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 3bdm n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3bdm s LYS 73 N -2.05 4.44 -0.36 1.64 2.20 -1.26 -4.65 119.74 119.69 3bdm s LYS 73 Ca 0.55 1.92 -0.28 0.00 -0.36 0.00 0.00 55.97 57.80 3bdm s LYS 73 Cb -0.51 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3bdm s LYS 73 CO 0.62 -0.20 1.02 -1.17 -0.36 0.00 0.00 175.35 175.26 3bdm s LEU 74 N 0.23 3.92 0.42 5.43 2.96 -1.26 -5.00 118.68 125.38 3bdm s LEU 74 Ca 0.56 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 55.03 3bdm s LEU 74 Cb -0.33 -3.44 -0.08 0.00 0.50 0.00 0.00 46.19 42.84 3bdm s LEU 74 CO 0.35 -0.91 1.25 -0.94 -1.32 0.00 0.00 176.35 174.77 3bdm s SER 75 N 1.83 6.28 0.39 3.68 1.04 -1.26 -4.80 113.70 120.86 3bdm s SER 75 Ca 0.43 2.52 0.15 0.00 0.48 0.00 0.00 55.95 59.53 3bdm s SER 75 Cb -0.11 -2.63 1.02 0.00 0.10 0.00 0.00 66.02 64.40 3bdm s SER 75 CO 0.18 -0.86 1.80 -0.29 0.98 0.00 0.00 173.24 175.06 3bdm h ILE 76 N 2.27 0.62 -0.02 -1.02 6.09 -1.92 0.18 117.51 123.72 3bdm h ILE 76 Ca -0.49 -0.16 -0.18 0.00 -1.37 0.00 0.00 64.86 62.65 3bdm h ILE 76 Cb 1.25 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 3bdm h ILE 76 CO 0.62 0.09 -0.78 -0.55 -3.07 0.00 0.00 178.15 174.46 3bdm h ASN 77 N 0.48 0.23 -0.29 2.19 -1.07 -1.91 -1.85 115.58 113.36 3bdm h ASN 77 Ca 0.55 -0.17 -0.12 0.00 0.07 0.00 0.00 56.30 56.62 3bdm h ASN 77 Cb 1.25 -0.07 -0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3bdm h ASN 77 CO -0.27 0.92 -0.30 0.28 0.07 0.00 0.00 177.43 178.13 3bdm h SER 78 N 0.12 0.78 -0.48 6.14 0.02 -1.11 -1.98 113.55 117.03 3bdm h SER 78 Ca -0.03 -0.47 0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3bdm h SER 78 Cb 1.36 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 3bdm h SER 78 CO 0.12 1.09 0.16 0.00 -1.14 0.00 0.00 176.83 177.06 3bdm h ALA 79 N 0.71 0.58 -0.39 3.77 0.00 -0.84 -0.10 119.26 122.98 3bdm h ALA 79 Ca 0.05 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3bdm h ALA 79 Cb 0.88 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3bdm h ALA 79 CO 0.07 -0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.19 3bdm h ALA 80 N 1.32 0.43 -0.48 0.00 0.00 -1.07 0.10 119.26 119.58 3bdm h ALA 80 Ca 0.23 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3bdm h ALA 80 Cb 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3bdm h ALA 80 CO -0.24 -0.30 0.01 -0.09 0.00 0.00 0.00 179.25 178.62 3bdm h ARG 81 N 0.23 0.79 -0.41 0.00 9.65 -0.61 -2.06 114.38 121.97 3bdm h ARG 81 Ca 0.19 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 3bdm h ARG 81 Cb 0.21 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3bdm h ARG 81 CO -0.23 0.79 0.03 -0.97 2.80 0.00 0.00 179.97 182.40 3bdm h ASN 82 N 0.74 0.68 -0.49 -3.80 -0.00 -0.28 -2.47 115.58 109.96 3bdm h ASN 82 Ca 0.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 56.30 56.14 3bdm h ASN 82 Cb 0.44 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.55 3bdm h ASN 82 CO 0.02 0.79 0.24 0.40 -0.00 0.00 0.00 177.43 178.88 3bdm h ILE 83 N 0.54 1.18 -0.45 2.57 2.04 -0.77 -1.08 117.51 121.53 3bdm h ILE 83 Ca 0.12 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3bdm h ILE 83 Cb 0.42 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3bdm h ILE 83 CO 0.01 0.22 0.29 -0.61 0.00 0.00 0.00 178.15 178.06 3bdm h GLN 84 N 0.75 0.60 0.02 2.37 4.15 -0.93 -0.59 115.11 121.49 3bdm h GLN 84 Ca 0.19 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.31 3bdm h GLN 84 Cb 0.10 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.67 3bdm h GLN 84 CO -0.02 0.41 -1.04 0.45 -1.93 0.00 0.00 178.83 176.70 3bdm h HIS 85 N 0.62 0.85 0.08 3.99 3.86 -0.95 -1.11 115.15 122.49 3bdm h HIS 85 Ca 0.17 -0.48 0.02 0.00 -1.16 0.00 0.00 60.37 58.91 3bdm h HIS 85 Cb -0.05 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3bdm h HIS 85 CO 0.00 1.31 -0.21 -0.07 0.86 0.00 0.00 177.93 179.83 3bdm h LEU 86 N 0.30 -0.60 0.83 2.43 3.38 -0.48 -0.14 115.31 121.03 3bdm h LEU 86 Ca -0.12 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3bdm h LEU 86 Cb 1.70 0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.69 3bdm h LEU 86 CO 0.19 -0.29 -0.40 -0.07 0.09 0.00 0.00 178.44 177.97 3bdm h LEU 87 N -0.38 -0.94 -1.89 1.67 3.38 -1.17 -2.95 115.31 113.03 3bdm h LEU 87 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bdm h LEU 87 Cb 0.42 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3bdm h LEU 87 CO -0.14 -0.63 0.00 0.22 0.09 0.00 0.00 178.44 177.98 3bdm h TYR 88 N -1.19 0.00 0.00 1.13 5.03 -1.20 -0.73 116.97 120.01 3bdm h TYR 88 Ca -0.11 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 3bdm h TYR 88 Cb 0.86 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.14 3bdm h TYR 88 CO -0.01 0.00 -0.03 0.78 -1.32 0.00 0.00 178.16 177.58 3bdm h GLY 89 N 0.57 0.00 -3.56 1.82 0.00 -0.83 -1.37 103.07 99.70 3bdm h GLY 89 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3bdm h GLY 89 CO 0.00 0.00 -0.42 0.28 0.00 0.00 0.00 176.54 176.40 3bdm n LYS 90 N -3.50 3.22 0.28 4.80 5.02 -0.28 -4.79 118.16 122.92 3bdm n LYS 90 Ca -0.02 -3.89 0.18 0.00 -2.02 0.00 0.00 58.31 52.56 3bdm n LYS 90 Cb 0.14 -2.22 0.96 0.00 -0.02 0.00 0.00 35.03 33.89 3bdm n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3bdm h ARG 91 N 2.01 0.00 -0.39 1.97 9.65 -1.33 0.08 114.38 126.37 3bdm h ARG 91 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 3bdm h ARG 91 Cb 1.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3bdm h ARG 91 CO 0.86 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.82 3bdm n PHE 92 N -3.41 0.85 -2.69 2.20 3.72 -1.26 -4.54 117.46 112.34 3bdm n PHE 92 Ca -0.01 -0.65 -0.05 0.00 -0.05 0.00 0.00 57.45 56.69 3bdm n PHE 92 Cb 0.23 -0.17 0.09 0.00 -0.94 0.00 0.00 39.48 38.70 3bdm n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3bdm n PHE 93 N 0.33 -1.28 -1.03 1.38 7.35 -0.70 -5.17 117.46 118.34 3bdm n PHE 93 Ca 0.18 -1.12 -0.35 0.00 -0.76 0.00 0.00 57.45 55.40 3bdm n PHE 93 Cb 0.69 1.29 0.08 0.00 0.35 0.00 0.00 39.48 41.89 3bdm n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3bdm n PRO 94 N 0.88 -0.01 -3.05 -7.13 -0.02 -0.07 -4.84 135.00 120.77 3bdm n PRO 94 Ca 0.00 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 3bdm n PRO 94 Cb 0.72 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 3bdm n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3bdm s TYR 95 N -2.13 3.18 -0.99 6.00 4.12 -1.26 -4.94 117.35 121.34 3bdm s TYR 95 Ca 0.57 0.59 -0.17 0.00 0.02 0.00 0.00 57.07 58.07 3bdm s TYR 95 Cb -0.27 -3.14 -0.09 0.00 -1.52 0.00 0.00 41.96 36.93 3bdm s TYR 95 CO 0.66 -0.57 2.07 0.66 0.02 0.00 0.00 175.55 178.39 3bdm n TYR 96 N 6.08 2.20 -3.90 2.71 4.02 -1.26 -4.78 117.16 122.22 3bdm n TYR 96 Ca 0.01 -2.15 -0.10 0.00 -0.01 0.00 0.00 57.90 55.64 3bdm n TYR 96 Cb 0.48 -1.93 -0.09 0.00 -0.02 0.00 0.00 39.34 37.78 3bdm n TYR 96 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3bdm s VAL 97 N 4.23 0.11 -0.27 -0.72 -7.23 -1.26 -1.00 120.40 114.26 3bdm s VAL 97 Ca 0.53 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 3bdm s VAL 97 Cb 0.14 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.36 3bdm s VAL 97 CO 0.04 -0.52 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.31 3bdm s HIS 98 N -2.20 3.11 0.03 2.82 3.76 0.11 -3.93 115.29 119.00 3bdm s HIS 98 Ca -0.08 -1.40 0.03 0.00 -0.15 0.00 0.00 55.06 53.46 3bdm s HIS 98 Cb -0.03 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 3bdm s HIS 98 CO -0.02 -0.69 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.06 3bdm s THR 99 N 1.37 3.85 -0.00 1.30 -1.32 -1.26 -1.28 115.64 118.30 3bdm s THR 99 Ca 0.00 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.70 3bdm s THR 99 Cb -0.17 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.08 3bdm s THR 99 CO -0.02 0.31 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.02 3bdm s ILE 100 N -1.10 0.45 0.06 5.08 1.09 -0.11 -0.05 121.20 126.62 3bdm s ILE 100 Ca 0.20 -0.31 0.05 0.00 -1.10 0.00 0.00 60.65 59.49 3bdm s ILE 100 Cb -0.11 -0.40 -0.03 0.00 -1.06 0.00 0.00 42.46 40.86 3bdm s ILE 100 CO 0.11 0.08 -0.14 0.27 -0.10 0.00 0.00 174.94 175.16 3bdm s ILE 101 N -0.23 1.09 0.08 2.92 -4.36 0.30 -1.18 121.20 119.81 3bdm s ILE 101 Ca 0.01 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.27 3bdm s ILE 101 Cb -0.03 -1.02 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 3bdm s ILE 101 CO -0.00 -0.13 -0.09 0.00 0.24 0.00 0.00 174.94 174.96 3bdm s ALA 102 N -1.08 0.92 0.00 2.27 0.00 0.29 -0.67 121.76 123.48 3bdm s ALA 102 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3bdm s ALA 102 Cb -0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3bdm s ALA 102 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3bdm n GLY 103 N 0.71 -0.82 3.14 0.00 0.00 -0.13 -1.30 105.19 106.79 3bdm n GLY 103 Ca -0.17 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 3bdm n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 104 N 0.00 2.04 0.00 0.99 1.43 -1.26 -0.46 118.68 121.42 3bdm s LEU 104 Ca 0.00 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3bdm s LEU 104 Cb 0.00 -0.81 0.11 0.00 0.03 0.00 0.00 46.19 45.51 3bdm s LEU 104 CO 0.00 0.19 0.57 -0.90 0.23 0.00 0.00 176.35 176.44 3bdm n ASP 105 N 2.62 -0.35 0.00 2.29 5.68 -0.01 -4.44 116.55 122.34 3bdm n ASP 105 Ca -0.15 -1.11 0.01 0.00 -0.50 0.00 0.00 54.79 53.05 3bdm n ASP 105 Cb 0.54 -0.45 0.07 0.00 -1.14 0.00 0.00 41.12 40.14 3bdm n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bdm n GLU 106 N -2.45 0.79 0.00 0.11 1.02 -1.26 -2.12 120.64 116.73 3bdm n GLU 106 Ca 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 3bdm n GLU 106 Cb 0.26 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.64 3bdm n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3bdm n ASP 10 N -0.55 1.13 0.00 1.62 10.43 -1.26 -4.99 116.55 122.94 3bdm n ASP 10 Ca 0.02 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.31 3bdm n ASP 10 Cb 0.01 0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.14 3bdm n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bdm n GLY 10 N 0.38 0.75 3.83 0.44 0.00 -0.90 -5.05 105.19 104.64 3bdm n GLY 10 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3bdm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s LYS 107 N -0.38 4.11 0.59 1.61 -0.14 -1.26 -4.40 119.74 119.86 3bdm s LYS 107 Ca 0.00 0.77 -0.20 0.00 -1.36 0.00 0.00 55.97 55.18 3bdm s LYS 107 Cb 0.00 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 3bdm s LYS 107 CO 0.00 0.23 1.32 0.20 -0.76 0.00 0.00 175.35 176.33 3bdm s GLY 108 N -2.05 2.86 -0.12 -3.33 0.00 -0.90 -0.83 107.32 102.95 3bdm s GLY 108 Ca 0.51 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 46.40 3bdm s GLY 108 CO 0.18 1.72 0.30 0.00 0.00 0.00 0.00 173.10 175.31 3bdm s ALA 109 N -1.37 -0.74 -0.03 3.20 0.00 0.39 -4.71 121.76 118.51 3bdm s ALA 109 Ca 0.77 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.78 3bdm s ALA 109 Cb -0.38 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3bdm s ALA 109 CO 0.43 -0.18 -0.15 0.08 0.00 0.00 0.00 175.76 175.94 3bdm s VAL 110 N 0.70 1.23 -0.04 0.00 1.01 -1.23 -0.96 120.40 121.11 3bdm s VAL 110 Ca -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3bdm s VAL 110 Cb -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3bdm s VAL 110 CO -0.04 0.36 -0.11 -0.31 0.00 0.00 0.00 175.10 174.99 3bdm s TYR 111 N -0.11 1.25 0.07 5.22 2.02 0.15 -1.05 117.35 124.91 3bdm s TYR 111 Ca 0.01 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 3bdm s TYR 111 Cb -0.09 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 3bdm s TYR 111 CO 0.01 -0.17 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.09 3bdm s SER 112 N 0.34 2.21 0.32 2.29 1.04 -1.10 -0.54 113.70 118.27 3bdm s SER 112 Ca -0.07 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.84 3bdm s SER 112 Cb -0.12 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.81 3bdm s SER 112 CO 0.02 0.05 -0.08 -0.36 0.98 0.00 0.00 173.24 173.85 3bdm s PHE 113 N -1.05 2.21 0.47 5.02 0.40 0.93 -2.74 117.98 123.22 3bdm s PHE 113 Ca 0.04 -0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 3bdm s PHE 113 Cb -0.09 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 3bdm s PHE 113 CO 0.03 0.45 0.78 0.34 0.70 0.00 0.00 175.22 177.52 3bdm s ASP 114 N -3.54 6.30 0.58 1.36 3.68 0.86 -4.02 116.67 121.89 3bdm s ASP 114 Ca 0.31 0.96 0.39 0.00 2.13 0.00 0.00 52.55 56.33 3bdm s ASP 114 Cb 0.03 -2.26 1.95 0.00 -1.45 0.00 0.00 42.92 41.19 3bdm s ASP 114 CO 0.15 -0.55 2.17 -0.65 0.13 0.00 0.00 175.17 176.41 3bdm h PRO 115 N 0.39 0.00 -0.35 4.34 0.11 -1.87 -2.19 132.00 132.43 3bdm h PRO 115 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bdm h PRO 115 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bdm h PRO 115 CO 0.62 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.74 3bdm n VAL 116 N -2.96 1.45 0.00 3.15 0.24 -1.26 -4.15 118.33 114.80 3bdm n VAL 116 Ca -0.02 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 3bdm n VAL 116 Cb 0.14 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3bdm n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bdm n GLY 117 N 0.27 2.13 3.73 7.63 0.00 -0.82 -3.37 105.19 114.75 3bdm n GLY 117 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bdm n SER 118 N 0.00 3.59 -3.93 1.61 2.88 -1.26 -4.59 113.62 111.92 3bdm n SER 118 Ca 0.00 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.59 3bdm n SER 118 Cb 0.00 -1.55 -0.10 0.00 -0.75 0.00 0.00 64.21 61.81 3bdm n SER 118 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3bdm s TYR 119 N -0.03 0.18 -0.01 0.66 -0.85 -1.26 -0.10 117.35 115.94 3bdm s TYR 119 Ca 0.65 -0.44 -0.10 0.00 -0.52 0.00 0.00 57.07 56.66 3bdm s TYR 119 Cb -0.53 -0.14 0.01 0.00 0.38 0.00 0.00 41.96 41.68 3bdm s TYR 119 CO 0.49 -0.32 0.20 -2.00 -1.52 0.00 0.00 175.55 172.39 3bdm s GLU 120 N -2.20 0.51 0.05 -3.49 2.56 -1.11 -5.02 118.70 110.00 3bdm s GLU 120 Ca -0.08 -0.25 -0.15 0.00 0.00 0.00 0.00 54.97 54.49 3bdm s GLU 120 Cb -0.04 0.22 -0.06 0.00 2.00 0.00 0.00 34.13 36.25 3bdm s GLU 120 CO -0.03 -0.12 0.46 0.50 -0.56 0.00 0.00 175.26 175.51 3bdm s ARG 121 N -1.18 3.95 0.16 4.30 3.52 -1.26 -2.69 118.95 125.75 3bdm s ARG 121 Ca -0.13 0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.86 3bdm s ARG 121 Cb -0.06 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 3bdm s ARG 121 CO 0.02 0.63 0.21 -1.21 -0.81 0.00 0.00 175.30 174.14 3bdm s GLU 122 N -1.36 1.10 0.10 5.12 2.02 -0.21 -5.01 118.70 120.45 3bdm s GLU 122 Ca 0.28 -1.28 -0.10 0.00 0.02 0.00 0.00 54.97 53.90 3bdm s GLU 122 Cb -0.16 0.33 -0.18 0.00 0.10 0.00 0.00 34.13 34.22 3bdm s GLU 122 CO 0.16 -0.38 1.24 0.37 0.02 0.00 0.00 175.26 176.67 3bdm h GLN 123 N 2.64 0.59 -2.93 1.61 5.75 -1.94 -3.25 115.11 117.57 3bdm h GLN 123 Ca -0.33 -0.63 -0.06 0.00 -0.15 0.00 0.00 58.65 57.48 3bdm h GLN 123 Cb 1.22 0.18 -0.15 0.00 1.07 0.00 0.00 27.48 29.80 3bdm h GLN 123 CO 0.51 1.24 0.01 0.00 -2.65 0.00 0.00 178.83 177.94 3bdm s ARG 125 N -2.76 0.49 0.01 0.00 6.06 0.81 -4.99 118.95 118.56 3bdm s ARG 125 Ca -0.04 0.76 0.01 0.00 -2.50 0.00 0.00 55.73 53.97 3bdm s ARG 125 Cb -0.00 0.14 -0.04 0.00 0.06 0.00 0.00 34.95 35.11 3bdm s ARG 125 CO -0.04 -0.09 0.04 0.00 -2.50 0.00 0.00 175.30 172.71 3bdm s ALA 126 N 1.11 3.42 0.03 6.12 0.00 -1.26 -0.33 121.76 130.85 3bdm s ALA 126 Ca -0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3bdm s ALA 126 Cb -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3bdm s ALA 126 CO -0.13 0.68 0.16 0.20 0.00 0.00 0.00 175.76 176.67 3bdm s GLY 127 N -1.75 0.06 0.00 0.00 0.00 0.11 -4.86 107.32 100.88 3bdm s GLY 127 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3bdm s GLY 127 CO 0.13 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.41 3bdm n GLY 128 N 0.92 -1.23 0.36 0.20 0.00 -1.26 0.54 105.19 104.72 3bdm n GLY 128 Ca -0.20 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 3bdm n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 129 N 0.00 0.09 -0.81 4.61 0.00 -1.47 -1.85 119.26 119.83 3bdm h ALA 129 Ca 0.00 0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 129 Cb 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 17.79 18.46 3bdm h ALA 129 CO 0.00 -0.64 0.46 0.00 0.00 0.00 0.00 179.25 179.07 3bdm n ALA 130 N -3.32 4.94 -0.25 0.00 0.00 -1.26 -4.50 120.51 116.11 3bdm n ALA 130 Ca 0.08 -2.39 -0.06 0.00 0.00 0.00 0.00 53.44 51.06 3bdm n ALA 130 Cb 0.38 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.54 3bdm n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bdm h ALA 131 N 1.70 0.89 0.00 0.00 0.00 -1.58 -1.16 119.26 119.11 3bdm h ALA 131 Ca 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3bdm h ALA 131 Cb 2.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.01 3bdm h ALA 131 CO 0.87 0.43 0.00 0.66 0.00 0.00 0.00 179.25 181.21 3bdm h SER 132 N 0.95 0.00 0.11 0.00 4.64 -1.82 0.44 113.55 117.88 3bdm h SER 132 Ca 0.24 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.21 3bdm h SER 132 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3bdm h SER 132 CO -0.03 0.00 -1.92 0.18 -0.87 0.00 0.00 176.83 174.19 3bdm n LEU 133 N -2.72 2.55 0.08 5.97 4.32 -0.53 -4.54 117.00 122.12 3bdm n LEU 133 Ca -0.01 0.23 -0.21 0.00 -0.02 0.00 0.00 56.01 56.00 3bdm n LEU 133 Cb 0.12 -1.10 -0.15 0.00 -1.62 0.00 0.00 43.42 40.66 3bdm n LEU 133 CO 0.18 0.79 -0.02 0.40 -1.22 0.00 0.00 177.39 177.51 3bdm h ILE 134 N -0.05 1.43 -0.49 -0.08 2.04 -0.75 -3.39 117.51 116.23 3bdm h ILE 134 Ca -0.42 -2.54 0.08 0.00 1.00 0.00 0.00 64.86 62.98 3bdm h ILE 134 Cb 1.95 3.09 -0.10 0.00 -0.74 0.00 0.00 36.82 41.02 3bdm h ILE 134 CO 0.05 0.74 -0.40 0.24 0.00 0.00 0.00 178.15 178.78 3bdm h MET 135 N -0.17 -0.25 -0.74 2.37 2.86 -1.17 -1.46 114.93 116.38 3bdm h MET 135 Ca -0.17 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.63 3bdm h MET 135 Cb 1.78 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 33.40 3bdm h MET 135 CO 0.19 -0.17 0.26 -1.35 1.06 0.00 0.00 176.91 176.90 3bdm h PRO 136 N -0.26 0.36 -0.38 -0.22 0.11 -1.80 0.62 132.00 130.44 3bdm h PRO 136 Ca 0.17 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.31 3bdm h PRO 136 Cb 0.57 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 3bdm h PRO 136 CO -0.62 0.24 0.11 0.35 -0.21 0.00 0.00 178.00 177.87 3bdm h PHE 137 N 0.38 0.20 -0.84 0.65 3.57 -1.48 -2.53 116.94 116.88 3bdm h PHE 137 Ca 0.41 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 3bdm h PHE 137 Cb 0.66 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3bdm h PHE 137 CO -0.20 0.07 0.44 -0.07 -2.23 0.00 0.00 178.31 176.31 3bdm h LEU 138 N 0.26 1.07 -1.92 0.59 4.07 -0.13 0.35 115.31 119.60 3bdm h LEU 138 Ca 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 3bdm h LEU 138 Cb 0.17 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 3bdm h LEU 138 CO -0.20 0.88 -0.12 0.44 -1.08 0.00 0.00 178.44 178.36 3bdm h ASP 139 N 1.19 0.00 0.03 -0.43 3.32 -0.74 0.86 116.42 120.64 3bdm h ASP 139 Ca 0.29 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 3bdm h ASP 139 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3bdm h ASP 139 CO -0.04 0.12 -0.84 -1.13 -1.72 0.00 0.00 179.24 175.63 3bdm h ASN 140 N 0.00 0.10 0.79 6.45 -0.00 -0.94 -0.82 115.58 121.15 3bdm h ASN 140 Ca -0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 56.30 55.53 3bdm h ASN 140 Cb 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 3bdm h ASN 140 CO 0.02 1.34 -0.75 1.56 -0.00 0.00 0.00 177.43 179.60 3bdm h GLN 141 N -0.83 0.00 0.00 6.67 1.08 -0.87 -2.72 115.11 118.43 3bdm h GLN 141 Ca -0.21 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.80 3bdm h GLN 141 Cb 1.31 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 3bdm h GLN 141 CO -0.07 0.00 -1.88 0.28 -0.95 0.00 0.00 178.83 176.21 3bdm n VAL 142 N -2.13 0.70 -0.58 -0.54 0.31 0.29 -4.64 118.33 111.74 3bdm n VAL 142 Ca 0.03 -0.52 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 3bdm n VAL 142 Cb 0.45 -0.43 0.03 0.00 -0.91 0.00 0.00 33.84 32.98 3bdm n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3bdm n ASN 143 N -2.38 1.47 -4.11 4.52 3.02 -1.22 -4.96 115.26 111.60 3bdm n ASN 143 Ca -0.17 -1.99 -0.31 0.00 -0.03 0.00 0.00 54.58 52.08 3bdm n ASN 143 Cb 0.80 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 3bdm n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bdm n PHE 144 N -0.53 -1.65 -2.34 3.10 3.72 -1.03 -4.92 117.46 113.81 3bdm n PHE 144 Ca 0.03 0.76 -0.39 0.00 -0.05 0.00 0.00 57.45 57.80 3bdm n PHE 144 Cb 0.41 -3.29 -0.03 0.00 -0.94 0.00 0.00 39.48 35.64 3bdm n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3bdm s LYS 14 N -6.81 4.19 -0.92 -1.08 -0.14 -0.32 -2.92 119.74 111.74 3bdm s LYS 14 Ca 0.33 1.82 0.00 0.00 -1.36 0.00 0.00 55.97 56.76 3bdm s LYS 14 Cb -0.18 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.20 3bdm s LYS 14 CO 0.92 -0.20 0.00 0.09 -0.76 0.00 0.00 175.35 175.40 3bdm n ASN 14 N 0.29 -5.78 -4.65 2.83 4.13 -1.26 -4.71 115.26 106.12 3bdm n ASN 14 Ca 0.03 0.21 -0.35 0.00 1.68 0.00 0.00 54.58 56.16 3bdm n ASN 14 Cb 0.46 -4.05 -0.10 0.00 -1.54 0.00 0.00 39.78 34.55 3bdm n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3bdm s GLN 14 N -2.73 3.82 0.33 3.52 -0.21 -1.15 -5.09 119.66 118.16 3bdm s GLN 14 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 55.36 55.10 3bdm s GLN 14 Cb 0.00 -3.15 -0.07 0.00 1.00 0.00 0.00 33.01 30.80 3bdm s GLN 14 CO 0.00 0.35 -0.02 0.71 -2.12 0.00 0.00 175.29 174.21 3bdm s TYR 14 N 0.15 2.14 -0.18 0.91 2.02 -1.26 -1.93 117.35 119.19 3bdm s TYR 14 Ca 0.04 -0.73 -0.29 0.00 -0.37 0.00 0.00 57.07 55.72 3bdm s TYR 14 Cb -0.12 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3bdm s TYR 14 CO 0.01 0.29 1.24 -1.21 -1.57 0.00 0.00 175.55 174.30 3bdm s GLU 14 N -3.75 4.21 0.36 -0.62 0.41 0.10 -4.59 118.70 114.82 3bdm s GLU 14 Ca 0.33 1.60 -0.24 0.00 -0.41 0.00 0.00 54.97 56.24 3bdm s GLU 14 Cb 0.06 -3.76 -0.13 0.00 -1.78 0.00 0.00 34.13 28.52 3bdm s GLU 14 CO 0.15 -0.73 0.66 -2.30 -0.49 0.00 0.00 175.26 172.55 3bdm n PRO 14 N 6.62 0.69 0.00 0.39 -0.02 -1.26 -2.23 135.00 139.19 3bdm n PRO 14 Ca 0.14 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3bdm n PRO 14 Cb 0.45 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3bdm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdm n GLY 14 N 1.67 1.17 0.15 -1.23 0.00 -1.26 -4.74 105.19 100.95 3bdm n GLY 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3bdm n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bdm n THR 14 N 0.00 0.00 -3.61 2.61 -2.24 -0.95 -4.71 114.28 105.38 3bdm n THR 14 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3bdm n THR 14 Cb 0.00 -0.34 0.06 0.00 -2.10 0.00 0.00 70.33 67.95 3bdm n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3bdm n ASN 1 N -0.20 -2.42 -4.13 3.42 4.05 -1.26 -2.52 115.26 112.20 3bdm n ASN 1 Ca 0.00 -0.71 -0.30 0.00 0.45 0.00 0.00 54.58 54.02 3bdm n ASN 1 Cb 0.00 -4.56 -0.05 0.00 1.23 0.00 0.00 39.78 36.40 3bdm n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3bdm n GLY 14 N -1.46 -0.26 0.00 8.20 0.00 -1.26 -4.82 105.19 105.59 3bdm n GLY 14 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bdm n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdm n LYS 14 N -4.54 1.33 -1.52 1.61 4.76 -1.05 -5.08 118.16 113.67 3bdm n LYS 14 Ca -0.30 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 3bdm n LYS 14 Cb 0.68 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 3bdm n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3bdm n VAL 14 N -1.32 0.00 -3.88 -0.18 0.31 -1.26 -5.07 118.33 106.93 3bdm n VAL 14 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3bdm n VAL 14 Cb 0.06 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 3bdm n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3bdm s LYS 14 N -1.46 3.45 0.49 5.55 2.20 -0.81 0.02 119.74 129.17 3bdm s LYS 14 Ca 0.00 -0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.26 3bdm s LYS 14 Cb 0.00 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 3bdm s LYS 14 CO 0.00 0.78 1.27 -1.25 -0.36 0.00 0.00 175.35 175.79 3bdm s PRO 14 N -1.04 3.49 0.00 4.03 0.04 -1.26 -4.91 135.00 135.35 3bdm s PRO 14 Ca 0.15 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3bdm s PRO 14 Cb -0.12 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3bdm s PRO 14 CO 0.04 -0.84 1.74 1.28 0.04 0.00 0.00 177.00 179.26 3bdm n LEU 14 N -0.68 4.69 -4.51 -3.56 4.77 -1.26 -4.94 117.00 111.51 3bdm n LEU 14 Ca 0.08 -2.13 -0.49 0.00 -0.03 0.00 0.00 56.01 53.44 3bdm n LEU 14 Cb 0.46 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3bdm n LEU 14 CO 0.51 0.88 0.42 1.17 -1.33 0.00 0.00 177.39 179.04 3bdm n LYS 14 N 1.40 0.64 -3.55 3.23 4.81 -1.26 -4.89 118.16 118.54 3bdm n LYS 14 Ca 0.00 0.23 -0.33 0.00 -0.87 0.00 0.00 58.31 57.33 3bdm n LYS 14 Cb 0.47 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.93 3bdm n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3bdm s TYR 145 N -0.61 3.53 0.35 5.64 6.14 -1.26 -5.06 117.35 126.08 3bdm s TYR 145 Ca 0.70 0.76 -0.25 0.00 0.64 0.00 0.00 57.07 58.92 3bdm s TYR 145 Cb -0.91 -2.15 -0.10 0.00 0.42 0.00 0.00 41.96 39.22 3bdm s TYR 145 CO 0.56 0.44 0.96 -0.51 0.64 0.00 0.00 175.55 177.65 3bdm s LEU 146 N -2.27 4.24 0.67 6.97 1.43 -1.26 -5.04 118.68 123.42 3bdm s LEU 146 Ca 0.38 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 3bdm s LEU 146 Cb -0.13 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.04 3bdm s LEU 146 CO 0.20 -0.19 0.95 -0.94 0.23 0.00 0.00 176.35 176.61 3bdm s SER 147 N -1.69 4.77 0.23 2.29 1.04 -1.26 -4.44 113.70 114.63 3bdm s SER 147 Ca 0.53 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 57.03 3bdm s SER 147 Cb -0.18 -0.77 0.21 0.00 0.10 0.00 0.00 66.02 65.39 3bdm s SER 147 CO 0.23 -1.57 1.78 1.62 0.98 0.00 0.00 173.24 176.27 3bdm h VAL 148 N -0.43 1.25 -0.37 5.02 3.04 -1.99 -1.29 116.25 121.49 3bdm h VAL 148 Ca -0.42 -0.86 -0.01 0.00 -1.01 0.00 0.00 66.70 64.40 3bdm h VAL 148 Cb 1.30 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 3bdm h VAL 148 CO 0.52 0.34 0.19 -0.33 -1.01 0.00 0.00 177.57 177.28 3bdm h GLU 149 N 1.05 0.52 -0.39 4.17 3.07 -2.00 -1.11 114.58 119.90 3bdm h GLU 149 Ca 0.23 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 3bdm h GLU 149 Cb 0.28 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3bdm h GLU 149 CO -0.01 0.45 -0.17 1.49 -1.40 0.00 0.00 179.01 179.37 3bdm h GLU 150 N 0.46 0.73 -0.46 2.33 4.57 -1.90 -2.99 114.58 117.31 3bdm h GLU 150 Ca 0.13 -0.26 -0.13 0.00 -1.18 0.00 0.00 59.36 57.92 3bdm h GLU 150 Cb 0.10 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3bdm h GLU 150 CO -0.02 0.85 -0.21 0.28 -1.18 0.00 0.00 179.01 178.73 3bdm h VAL 151 N 0.65 1.27 0.00 0.32 2.07 -0.95 -2.64 116.25 116.96 3bdm h VAL 151 Ca 0.10 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3bdm h VAL 151 Cb 0.65 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3bdm h VAL 151 CO 0.05 0.47 -0.11 0.40 0.02 0.00 0.00 177.57 178.40 3bdm h ILE 152 N 0.81 0.91 -0.02 4.57 1.08 -1.10 -2.28 117.51 121.48 3bdm h ILE 152 Ca 0.11 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3bdm h ILE 152 Cb 0.78 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 3bdm h ILE 152 CO 0.06 0.10 -0.02 0.11 -0.69 0.00 0.00 178.15 177.72 3bdm h LYS 153 N 0.00 0.05 0.00 2.37 1.57 -1.33 -1.84 116.57 117.39 3bdm h LYS 153 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3bdm h LYS 153 Cb 0.21 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3bdm h LYS 153 CO 0.01 0.49 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.30 3bdm h LEU 154 N -0.39 0.00 0.01 2.94 3.38 -1.33 0.11 115.31 120.02 3bdm h LEU 154 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3bdm h LEU 154 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3bdm h LEU 154 CO 0.00 0.01 -0.52 0.58 0.09 0.00 0.00 178.44 178.61 3bdm h VAL 155 N 0.00 1.46 -0.34 1.22 2.07 -1.23 0.07 116.25 119.50 3bdm h VAL 155 Ca -0.00 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 3bdm h VAL 155 Cb 0.03 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3bdm h VAL 155 CO 0.00 0.59 0.01 0.03 0.02 0.00 0.00 177.57 178.22 3bdm h ARG 156 N -0.22 0.60 -0.43 1.57 3.08 -0.58 -1.97 114.38 116.42 3bdm h ARG 156 Ca -0.07 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 3bdm h ARG 156 Cb 1.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3bdm h ARG 156 CO 0.10 0.71 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.24 3bdm h ASP 157 N 0.41 0.69 -0.83 7.04 3.45 -0.88 -0.41 116.42 125.88 3bdm h ASP 157 Ca 0.10 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 3bdm h ASP 157 Cb 0.44 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 3bdm h ASP 157 CO 0.02 0.78 0.42 0.28 -1.57 0.00 0.00 179.24 179.16 3bdm h SER 158 N 0.66 1.06 0.89 6.45 0.02 -0.72 -1.58 113.55 120.33 3bdm h SER 158 Ca 0.13 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 3bdm h SER 158 Cb 0.46 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3bdm h SER 158 CO 0.02 0.88 -1.09 -0.26 -1.14 0.00 0.00 176.83 175.24 3bdm h PHE 159 N 1.16 0.11 -0.01 3.45 -1.00 -1.01 -1.32 116.94 118.33 3bdm h PHE 159 Ca 0.29 -0.08 -0.15 0.00 2.81 0.00 0.00 57.97 60.84 3bdm h PHE 159 Cb 0.08 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3bdm h PHE 159 CO 0.01 1.07 -0.69 1.79 -1.61 0.00 0.00 178.31 178.88 3bdm h THR 160 N 0.02 1.47 -0.07 -1.55 1.35 -1.01 -0.00 112.91 113.12 3bdm h THR 160 Ca -0.05 -2.29 -0.21 0.00 -0.55 0.00 0.00 66.41 63.30 3bdm h THR 160 Cb 1.83 2.23 0.01 0.00 -1.73 0.00 0.00 68.15 70.49 3bdm h THR 160 CO 0.14 0.66 -0.78 0.28 -0.25 0.00 0.00 175.52 175.57 3bdm h SER 161 N 0.04 0.80 -0.42 5.36 0.02 -1.31 -2.99 113.55 115.06 3bdm h SER 161 Ca -0.01 -0.69 -0.09 0.00 -0.84 0.00 0.00 61.79 60.16 3bdm h SER 161 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3bdm h SER 161 CO 0.09 1.37 -0.06 0.00 -1.14 0.00 0.00 176.83 177.10 3bdm h ALA 162 N 0.44 0.99 0.00 3.77 0.00 -1.14 -2.50 119.26 120.82 3bdm h ALA 162 Ca -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3bdm h ALA 162 Cb 1.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3bdm h ALA 162 CO 0.16 0.61 -0.04 1.15 0.00 0.00 0.00 179.25 181.12 3bdm h THR 163 N 0.78 0.56 -0.18 0.00 2.02 -0.98 -1.07 112.91 114.04 3bdm h THR 163 Ca 0.14 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 3bdm h THR 163 Cb 0.55 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3bdm h THR 163 CO 0.03 0.04 -0.38 -0.33 0.37 0.00 0.00 175.52 175.26 3bdm h GLU 164 N 0.00 0.56 -0.01 6.66 4.39 -1.29 -3.37 114.58 121.52 3bdm h GLU 164 Ca -0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3bdm h GLU 164 Cb 0.11 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3bdm h GLU 164 CO 0.01 0.99 -0.36 0.54 -1.16 0.00 0.00 179.01 179.03 3bdm n ARG 165 N -4.29 1.65 -4.17 2.33 5.12 -1.06 -4.91 116.66 111.33 3bdm n ARG 165 Ca -0.06 -0.80 -0.33 0.00 -1.93 0.00 0.00 57.85 54.73 3bdm n ARG 165 Cb 0.52 -1.29 -0.16 0.00 -1.16 0.00 0.00 32.46 30.37 3bdm n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3bdm s HIS 166 N -1.95 2.77 0.35 -1.55 2.46 -0.43 -5.01 115.29 111.93 3bdm s HIS 166 Ca 0.13 -1.59 0.37 0.00 0.47 0.00 0.00 55.06 54.44 3bdm s HIS 166 Cb 0.13 -1.92 1.77 0.00 -0.13 0.00 0.00 32.58 32.44 3bdm s HIS 166 CO 0.42 -0.78 2.14 -0.84 -2.47 0.00 0.00 174.74 173.21 3bdm h ILE 167 N 5.92 0.08 -0.01 0.89 3.07 -1.87 -2.65 117.51 122.94 3bdm h ILE 167 Ca -0.44 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.63 3bdm h ILE 167 Cb 1.15 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3bdm h ILE 167 CO 0.63 0.02 -0.24 0.00 -1.05 0.00 0.00 178.15 177.51 3bdm n GLN 168 N -3.16 0.85 -4.24 0.16 6.02 -1.26 -4.85 117.38 110.90 3bdm n GLN 168 Ca -0.01 -0.49 -0.34 0.00 -0.01 0.00 0.00 57.00 56.15 3bdm n GLN 168 Cb 0.21 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.87 3bdm n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bdm s VAL 169 N -2.49 4.28 -4.15 5.09 1.01 -1.00 -4.05 120.40 119.09 3bdm s VAL 169 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3bdm s VAL 169 Cb 0.19 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3bdm s VAL 169 CO 0.51 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.71 3bdm n GLY 170 N 3.44 -0.50 5.00 4.51 0.00 -1.26 -4.48 105.19 111.90 3bdm n GLY 170 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3bdm n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 171 N 0.00 0.00 -3.57 1.61 8.00 -0.56 -4.14 116.55 117.90 3bdm n ASP 171 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3bdm n ASP 171 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3bdm n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bdm s GLY 172 N 0.00 -0.46 -0.30 0.44 0.00 -1.26 -1.95 107.32 103.79 3bdm s GLY 172 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 44.72 45.60 3bdm s GLY 172 CO 0.00 0.54 -0.00 -2.27 0.00 0.00 0.00 173.10 171.37 3bdm s LEU 173 N -1.59 3.73 -0.24 0.66 2.96 0.48 -0.56 118.68 124.12 3bdm s LEU 173 Ca -0.09 -1.73 -0.10 0.00 -0.22 0.00 0.00 54.13 51.99 3bdm s LEU 173 Cb -0.01 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 3bdm s LEU 173 CO 0.04 -0.31 0.15 -0.70 -1.32 0.00 0.00 176.35 174.20 3bdm s GLU 174 N 1.13 4.00 -0.07 1.98 2.12 -0.78 -0.91 118.70 126.18 3bdm s GLU 174 Ca 0.03 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.11 3bdm s GLU 174 Cb -0.19 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 3bdm s GLU 174 CO -0.09 0.01 -0.23 0.42 -0.54 0.00 0.00 175.26 174.83 3bdm s ILE 175 N 1.19 2.22 -0.15 -3.70 1.01 0.73 -1.98 121.20 120.53 3bdm s ILE 175 Ca 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3bdm s ILE 175 Cb -0.14 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3bdm s ILE 175 CO 0.05 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.69 3bdm s LEU 176 N -0.13 2.78 -0.20 2.97 1.02 -0.67 -0.56 118.68 123.88 3bdm s LEU 176 Ca -0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 3bdm s LEU 176 Cb -0.14 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 3bdm s LEU 176 CO 0.04 0.13 -0.06 -0.63 0.02 0.00 0.00 176.35 175.85 3bdm s ILE 177 N 0.56 3.29 -0.25 -0.59 1.09 0.60 -1.67 121.20 124.24 3bdm s ILE 177 Ca -0.07 -0.53 -0.09 0.00 -1.10 0.00 0.00 60.65 58.86 3bdm s ILE 177 Cb -0.15 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 3bdm s ILE 177 CO 0.03 0.45 0.11 -0.69 -0.10 0.00 0.00 174.94 174.74 3bdm s VAL 178 N 1.25 4.78 0.35 2.92 1.01 0.86 -1.16 120.40 130.43 3bdm s VAL 178 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3bdm s VAL 178 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3bdm s VAL 178 CO -0.02 0.33 0.10 0.42 0.00 0.00 0.00 175.10 175.93 3bdm s THR 179 N 1.43 0.80 0.52 3.92 -4.23 0.01 -1.76 115.64 116.33 3bdm s THR 179 Ca 0.06 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.76 3bdm s THR 179 Cb -0.15 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.41 3bdm s THR 179 CO 0.06 0.00 2.14 0.07 -0.54 0.00 0.00 174.62 176.35 3bdm h LYS 180 N 2.00 0.00 0.00 3.99 2.10 -1.93 -0.34 116.57 122.38 3bdm h LYS 180 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3bdm h LYS 180 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3bdm h LYS 180 CO 0.62 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.85 3bdm n ASP 182 N -4.32 0.00 0.00 7.07 8.00 -1.26 -5.00 116.55 121.04 3bdm n ASP 182 Ca -0.03 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3bdm n ASP 182 Cb 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3bdm n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bdm n GLY 183 N 0.61 0.51 3.37 0.44 0.00 -0.14 -5.04 105.19 104.94 3bdm n GLY 183 Ca 0.18 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3bdm n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 184 N -0.10 2.90 0.20 1.61 1.01 -1.26 -0.81 120.40 123.95 3bdm s VAL 184 Ca 0.00 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3bdm s VAL 184 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3bdm s VAL 184 CO 0.00 0.54 -0.20 -0.60 0.00 0.00 0.00 175.10 174.84 3bdm s ARG 185 N 0.12 1.45 0.01 2.72 3.52 -0.31 -4.95 118.95 121.51 3bdm s ARG 185 Ca -0.07 -1.55 0.08 0.00 -0.13 0.00 0.00 55.73 54.06 3bdm s ARG 185 Cb -0.15 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.66 3bdm s ARG 185 CO 0.05 0.31 -0.24 0.15 -0.81 0.00 0.00 175.30 174.76 3bdm s LYS 186 N -3.03 1.80 -0.00 5.12 1.02 -1.26 -0.29 119.74 123.10 3bdm s LYS 186 Ca 0.21 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.31 3bdm s LYS 186 Cb -0.06 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 3bdm s LYS 186 CO 0.10 0.49 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.70 3bdm s GLU 187 N -0.83 0.82 -0.03 1.68 2.02 0.27 -4.99 118.70 117.64 3bdm s GLU 187 Ca 0.10 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.68 3bdm s GLU 187 Cb -0.09 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.35 3bdm s GLU 187 CO 0.00 0.21 -0.09 0.12 0.02 0.00 0.00 175.26 175.53 3bdm s PHE 188 N -0.36 0.93 0.03 1.61 5.36 -1.26 -0.19 117.98 124.10 3bdm s PHE 188 Ca 0.03 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 3bdm s PHE 188 Cb -0.05 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 3bdm s PHE 188 CO -0.00 -0.10 -0.06 0.71 -1.46 0.00 0.00 175.22 174.31 3bdm s TYR 189 N 0.18 0.53 0.47 10.12 1.51 -0.08 -4.97 117.35 125.11 3bdm s TYR 189 Ca -0.03 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.55 3bdm s TYR 189 Cb -0.08 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 3bdm s TYR 189 CO 0.00 -0.08 0.80 -1.21 -1.11 0.00 0.00 175.55 173.95 3bdm s GLU 190 N -1.23 3.61 0.13 -0.62 2.02 -1.26 0.18 118.70 121.53 3bdm s GLU 190 Ca -0.08 0.31 0.05 0.00 0.02 0.00 0.00 54.97 55.26 3bdm s GLU 190 Cb -0.08 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3bdm s GLU 190 CO 0.00 -0.18 -0.11 -0.51 0.02 0.00 0.00 175.26 174.48 3bdm s LEU 191 N -4.53 2.48 0.37 1.80 1.43 -0.82 -4.73 118.68 114.69 3bdm s LEU 191 Ca 0.49 -0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 3bdm s LEU 191 Cb -0.10 -0.38 -0.12 0.00 0.03 0.00 0.00 46.19 45.61 3bdm s LEU 191 CO 0.42 -0.28 1.07 0.29 0.23 0.00 0.00 176.35 178.08 3bdm n LYS 192 N 0.08 1.52 -0.42 1.70 5.02 -1.26 -3.15 118.16 121.65 3bdm n LYS 192 Ca -0.12 0.54 0.09 0.00 -2.02 0.00 0.00 58.31 56.80 3bdm n LYS 192 Cb 0.59 -2.06 0.29 0.00 -0.02 0.00 0.00 35.03 33.83 3bdm n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bdm n ARG 193 N 0.36 2.88 0.00 1.97 1.74 -1.26 -1.49 116.66 120.86 3bdm n ARG 193 Ca 0.08 -2.34 0.14 0.00 -0.77 0.00 0.00 57.85 54.97 3bdm n ARG 193 Cb 0.37 -1.64 0.61 0.00 -1.02 0.00 0.00 32.46 30.77 3bdm n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71