#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b5m s LEU 1 N 0.00 3.75 -0.06 -3.43 2.96 -1.26 -5.00 118.68 115.65 3b5m s LEU 1 Ca 0.00 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 3b5m s LEU 1 Cb 0.00 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 3b5m s LEU 1 CO 0.00 -1.11 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.10 3b5m s ILE 2 N 4.15 1.60 -0.14 6.68 1.01 -1.26 -0.83 121.20 132.40 3b5m s ILE 2 Ca 0.47 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 3b5m s ILE 2 Cb -0.09 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3b5m s ILE 2 CO 0.26 0.46 0.42 -0.22 0.00 0.00 0.00 174.94 175.85 3b5m s LEU 3 N 0.15 4.25 -0.69 2.97 2.96 -0.89 -5.00 118.68 122.43 3b5m s LEU 3 Ca -0.08 0.70 -0.26 0.00 -0.22 0.00 0.00 54.13 54.26 3b5m s LEU 3 Cb -0.14 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.00 3b5m s LEU 3 CO 0.04 0.02 1.20 -1.61 -1.32 0.00 0.00 176.35 174.68 3b5m s GLU 4 N 0.68 3.24 0.43 1.98 0.41 -1.26 -3.47 118.70 120.70 3b5m s GLU 4 Ca 0.23 -0.25 0.07 0.00 -0.41 0.00 0.00 54.97 54.60 3b5m s GLU 4 Cb -0.14 -4.16 -0.04 0.00 -1.78 0.00 0.00 34.13 28.01 3b5m s GLU 4 CO 0.08 -2.00 0.19 -1.54 -0.49 0.00 0.00 175.26 171.50 3b5m s SER 5 N 3.57 4.41 -0.06 -0.19 1.04 -0.30 -4.73 113.70 117.45 3b5m s SER 5 Ca 0.34 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.66 3b5m s SER 5 Cb -0.09 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 3b5m s SER 5 CO 0.16 -0.61 -0.12 -0.76 0.98 0.00 0.00 173.24 172.89 3b5m s LEU 6 N -3.93 2.88 -0.11 2.42 1.43 -1.12 -1.99 118.68 118.27 3b5m s LEU 6 Ca 0.38 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3b5m s LEU 6 Cb 0.03 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.66 3b5m s LEU 6 CO 0.21 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.24 3b5m s VAL 7 N -0.71 1.86 -0.05 -1.59 1.01 0.71 -0.76 120.40 120.88 3b5m s VAL 7 Ca 0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3b5m s VAL 7 Cb -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3b5m s VAL 7 CO 0.01 0.51 0.21 0.42 0.00 0.00 0.00 175.10 176.25 3b5m s THR 8 N 0.61 5.40 0.14 3.92 -4.23 -0.47 -1.87 115.64 119.14 3b5m s THR 8 Ca -0.13 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 3b5m s THR 8 Cb -0.17 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 3b5m s THR 8 CO 0.04 0.47 0.13 0.42 -0.54 0.00 0.00 174.62 175.13 3b5m s THR 9 N -1.19 0.10 0.01 3.99 -4.23 -0.73 -1.31 115.64 112.29 3b5m s THR 9 Ca 0.22 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.11 3b5m s THR 9 Cb -0.13 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 3b5m s THR 9 CO 0.12 -0.44 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.75 3b5m s LEU 10 N -3.01 2.18 0.00 4.79 1.43 -1.26 -0.71 118.68 122.10 3b5m s LEU 10 Ca 0.20 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3b5m s LEU 10 Cb 0.06 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.99 3b5m s LEU 10 CO 0.00 0.29 0.29 -0.90 0.23 0.00 0.00 176.35 176.26 3b5m n ASP 11 N 2.07 0.19 0.29 2.29 5.68 -0.41 -4.77 116.55 121.89 3b5m n ASP 11 Ca -0.16 -1.20 0.19 0.00 -0.50 0.00 0.00 54.79 53.11 3b5m n ASP 11 Cb 0.52 -0.20 0.90 0.00 -1.14 0.00 0.00 41.12 41.19 3b5m n ASP 11 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3b5m h GLU 12 N 0.00 0.00 -0.35 0.11 4.39 -1.97 -1.63 114.58 115.14 3b5m h GLU 12 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3b5m h GLU 12 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3b5m h GLU 12 CO 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.93 3b5m n GLN 13 N -2.97 2.99 -0.85 2.33 10.64 -1.26 -4.96 117.38 123.30 3b5m n GLN 13 Ca -0.01 -2.45 0.00 0.00 -1.83 0.00 0.00 57.00 52.71 3b5m n GLN 13 Cb 0.18 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 3b5m n GLN 13 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3b5m n GLY 14 N 0.18 0.57 3.74 2.61 0.00 -0.61 -5.03 105.19 106.66 3b5m n GLY 14 Ca 0.17 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3b5m n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b5m s ARG 15 N -0.19 4.55 -0.01 1.61 0.52 -1.26 -4.69 118.95 119.48 3b5m s ARG 15 Ca 0.00 1.82 -0.21 0.00 -0.52 0.00 0.00 55.73 56.82 3b5m s ARG 15 Cb 0.00 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 3b5m s ARG 15 CO 0.00 0.02 0.63 0.42 0.02 0.00 0.00 175.30 176.39 3b5m s ILE 16 N -0.36 4.91 -0.03 1.52 1.01 -1.26 -1.29 121.20 125.69 3b5m s ILE 16 Ca 0.50 1.31 0.06 0.00 0.00 0.00 0.00 60.65 62.52 3b5m s ILE 16 Cb -0.32 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3b5m s ILE 16 CO 0.37 0.39 -0.21 0.21 0.00 0.00 0.00 174.94 175.70 3b5m s ASN 17 N -0.03 3.48 -0.11 3.58 3.84 0.11 -4.69 114.94 121.11 3b5m s ASN 17 Ca 0.33 -0.35 0.02 0.00 0.21 0.00 0.00 52.86 53.06 3b5m s ASN 17 Cb -0.18 -0.58 0.01 0.00 -0.55 0.00 0.00 41.25 39.95 3b5m s ASN 17 CO 0.18 0.33 -0.17 -0.22 -2.79 0.00 0.00 177.10 174.43 3b5m s LEU 18 N -0.64 1.80 0.11 3.21 2.96 -1.26 -1.77 118.68 123.09 3b5m s LEU 18 Ca 0.10 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3b5m s LEU 18 Cb -0.10 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.44 3b5m s LEU 18 CO -0.00 0.03 0.30 0.00 -1.32 0.00 0.00 176.35 175.36 3b5m s ALA 19 N 0.94 -0.60 0.56 5.97 0.00 -0.78 -4.73 121.76 123.12 3b5m s ALA 19 Ca -0.07 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 3b5m s ALA 19 Cb -0.15 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3b5m s ALA 19 CO -0.01 -0.58 1.09 -2.14 0.00 0.00 0.00 175.76 174.11 3b5m s PRO 20 N -3.83 3.37 -0.04 0.00 0.02 -1.26 -0.21 135.00 133.04 3b5m s PRO 20 Ca 0.04 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.35 3b5m s PRO 20 Cb 0.03 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3b5m s PRO 20 CO -0.11 -0.81 0.38 -1.17 -0.33 0.00 0.00 177.00 174.95 3b5m s LEU 21 N -4.00 0.58 -0.75 -5.54 2.96 -0.84 -4.78 118.68 106.31 3b5m s LEU 21 Ca 0.69 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 3b5m s LEU 21 Cb -0.20 1.46 0.24 0.00 0.50 0.00 0.00 46.19 48.19 3b5m s LEU 21 CO 0.29 -0.42 0.80 0.61 -1.32 0.00 0.00 176.35 176.31 3b5m n GLY 22 N 1.46 4.60 3.77 7.98 0.00 -1.26 -1.14 105.19 120.60 3b5m n GLY 22 Ca -0.20 -2.70 -0.37 0.00 0.00 0.00 0.00 46.02 42.75 3b5m n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b5m s PRO 23 N -2.16 3.51 -0.00 1.61 0.04 -1.23 -4.74 135.00 132.03 3b5m s PRO 23 Ca 0.34 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3b5m s PRO 23 Cb 0.06 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3b5m s PRO 23 CO -0.05 -0.78 0.92 0.42 0.04 0.00 0.00 177.00 177.55 3b5m s ILE 24 N -1.54 4.87 -0.22 0.56 1.01 -0.43 -2.09 121.20 123.35 3b5m s ILE 24 Ca 0.68 1.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.99 3b5m s ILE 24 Cb -0.30 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 3b5m s ILE 24 CO 0.35 0.20 0.92 -0.69 0.00 0.00 0.00 174.94 175.73 3b5m s VAL 25 N 0.85 4.78 0.22 2.92 1.01 -0.01 -0.96 120.40 129.21 3b5m s VAL 25 Ca 0.48 1.79 0.06 0.00 0.00 0.00 0.00 61.98 64.31 3b5m s VAL 25 Cb -0.21 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3b5m s VAL 25 CO 0.26 -0.10 0.25 -0.76 0.00 0.00 0.00 175.10 174.75 3b5m s LEU 26 N 2.87 4.04 0.55 3.92 1.43 0.20 -4.74 118.68 126.95 3b5m s LEU 26 Ca 0.40 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 3b5m s LEU 26 Cb -0.15 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 3b5m s LEU 26 CO 0.08 -0.02 0.68 -2.65 0.23 0.00 0.00 176.35 174.66 3b5m n PRO 27 N -1.06 0.68 -1.33 1.29 -0.02 -1.26 -2.63 135.00 130.67 3b5m n PRO 27 Ca -0.08 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.35 3b5m n PRO 27 Cb 0.57 -1.83 0.10 0.00 -0.02 0.00 0.00 33.50 32.31 3b5m n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3b5m s PRO 28 N -2.21 2.04 0.35 0.52 0.04 -1.26 -3.61 135.00 130.87 3b5m s PRO 28 Ca 0.70 0.97 0.10 0.00 0.04 0.00 0.00 61.00 62.81 3b5m s PRO 28 Cb -0.46 -1.89 0.66 0.00 0.04 0.00 0.00 34.50 32.85 3b5m s PRO 28 CO 0.53 -1.73 1.81 1.96 0.04 0.00 0.00 177.00 179.60 3b5m h GLN 29 N -1.19 0.12 -4.07 4.56 4.20 -1.92 -3.45 115.11 113.36 3b5m h GLN 29 Ca -0.46 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.01 3b5m h GLN 29 Cb 1.25 -0.01 -0.22 0.00 0.30 0.00 0.00 27.48 28.80 3b5m h GLN 29 CO 0.54 0.44 -0.71 -1.54 -0.67 0.00 0.00 178.83 176.89 3b5m s SER 30 N -6.91 0.34 0.32 1.46 1.04 -1.26 -5.09 113.70 103.60 3b5m s SER 30 Ca -0.04 -0.44 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 3b5m s SER 30 Cb 0.14 0.07 -0.12 0.00 0.10 0.00 0.00 66.02 66.21 3b5m s SER 30 CO 0.74 -0.23 1.37 -0.81 0.98 0.00 0.00 173.24 175.29 3b5m n PRO 31 N 1.79 2.23 0.00 4.02 -0.04 -1.26 -1.04 135.00 140.70 3b5m n PRO 31 Ca -0.22 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3b5m n PRO 31 Cb 0.56 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3b5m n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3b5m n GLY 32 N 1.19 2.36 3.82 0.55 0.00 -1.26 -5.03 105.19 106.82 3b5m n GLY 32 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3b5m n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b5m s GLY 33 N -1.97 1.66 0.55 -0.02 0.00 -0.21 -5.03 107.32 102.31 3b5m s GLY 33 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 3b5m s GLY 33 CO 0.00 -0.20 1.11 1.08 0.00 0.00 0.00 173.10 175.09 3b5m s LEU 34 N -6.12 3.71 0.74 0.66 1.43 -1.26 -4.76 118.68 113.07 3b5m s LEU 34 Ca 0.69 2.09 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 3b5m s LEU 34 Cb -0.09 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.61 3b5m s LEU 34 CO 0.53 -1.18 1.19 -2.16 0.23 0.00 0.00 176.35 174.96 3b5m s PRO 35 N -3.42 2.13 0.47 1.29 0.04 -1.26 -4.22 135.00 130.02 3b5m s PRO 35 Ca 0.70 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.53 3b5m s PRO 35 Cb -0.22 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.52 3b5m s PRO 35 CO 0.28 -1.83 0.65 -0.65 0.04 0.00 0.00 177.00 175.48 3b5m s GLN 36 N -3.99 2.65 0.01 4.56 -0.21 -1.08 -4.39 119.66 117.21 3b5m s GLN 36 Ca 0.73 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3b5m s GLN 36 Cb -0.28 -2.71 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 3b5m s GLN 36 CO 0.46 -0.48 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.06 3b5m s PHE 37 N -2.47 0.29 -0.28 0.91 0.08 -0.39 -0.63 117.98 115.50 3b5m s PHE 37 Ca 0.57 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 3b5m s PHE 37 Cb -0.09 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 3b5m s PHE 37 CO 0.35 -0.07 0.07 -1.17 -0.10 0.00 0.00 175.22 174.30 3b5m s LEU 38 N -0.72 3.67 -0.16 -0.37 2.96 -0.14 -0.78 118.68 123.14 3b5m s LEU 38 Ca -0.06 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3b5m s LEU 38 Cb -0.05 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 3b5m s LEU 38 CO -0.00 -0.14 0.12 -0.76 -1.32 0.00 0.00 176.35 174.24 3b5m s LEU 39 N 1.52 4.20 -0.50 -0.68 1.43 0.47 -1.32 118.68 123.80 3b5m s LEU 39 Ca 0.04 0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 3b5m s LEU 39 Cb -0.16 -2.05 0.27 0.00 0.03 0.00 0.00 46.19 44.27 3b5m s LEU 39 CO 0.02 0.29 0.66 0.54 0.23 0.00 0.00 176.35 178.09 3b5m n ARG 40 N 2.80 1.65 -2.05 1.70 1.74 -1.26 -0.72 116.66 120.52 3b5m n ARG 40 Ca -0.18 -3.94 -0.35 0.00 -0.77 0.00 0.00 57.85 52.62 3b5m n ARG 40 Cb 0.53 -1.75 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3b5m n ARG 40 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3b5m s PRO 41 N -1.98 3.08 -0.03 5.56 0.04 -1.26 -4.93 135.00 135.48 3b5m s PRO 41 Ca 0.38 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 3b5m s PRO 41 Cb 0.19 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 3b5m s PRO 41 CO -0.07 -1.08 0.94 -0.47 0.04 0.00 0.00 177.00 176.37 3b5m s TYR 42 N -1.83 3.62 0.16 0.56 5.04 -1.26 -4.50 117.35 119.14 3b5m s TYR 42 Ca 0.73 1.62 -0.34 0.00 -2.44 0.00 0.00 57.07 56.64 3b5m s TYR 42 Cb -0.25 -3.09 -0.14 0.00 0.35 0.00 0.00 41.96 38.83 3b5m s TYR 42 CO 0.32 -0.03 1.58 -1.91 -1.34 0.00 0.00 175.55 174.17 3b5m n GLU 43 N 4.07 2.16 0.00 4.97 4.07 -1.26 -1.47 120.64 133.18 3b5m n GLU 43 Ca 0.05 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 3b5m n GLU 43 Cb 0.51 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 3b5m n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3b5m n GLY 44 N 3.44 1.75 3.81 8.31 0.00 -1.26 -5.04 105.19 116.19 3b5m n GLY 44 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3b5m n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b5m s SER 45 N -2.39 5.39 0.23 1.61 1.04 -0.54 -4.87 113.70 114.18 3b5m s SER 45 Ca 0.00 1.73 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 3b5m s SER 45 Cb 0.00 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.84 3b5m s SER 45 CO 0.00 -1.44 1.78 0.74 0.98 0.00 0.00 173.24 175.30 3b5m h THR 46 N -0.35 1.25 -0.47 2.02 2.02 -1.96 -0.46 112.91 114.95 3b5m h THR 46 Ca -0.45 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 65.90 3b5m h THR 46 Cb 1.22 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3b5m h THR 46 CO 0.56 0.34 0.24 0.74 0.37 0.00 0.00 175.52 177.77 3b5m h THR 47 N 1.01 0.97 -0.22 3.16 2.02 -1.93 -0.19 112.91 117.74 3b5m h THR 47 Ca 0.22 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3b5m h THR 47 Cb 0.29 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3b5m h THR 47 CO -0.01 0.09 0.02 0.00 0.37 0.00 0.00 175.52 175.99 3b5m h ASP 49 N 0.15 0.35 0.04 0.00 3.32 -0.82 -0.17 116.42 119.29 3b5m h ASP 49 Ca 0.06 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 3b5m h ASP 49 Cb 0.35 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3b5m h ASP 49 CO 0.01 0.23 -0.48 0.78 -1.72 0.00 0.00 179.24 178.06 3b5m h ASN 50 N 0.49 0.55 -0.43 6.45 2.35 -0.86 -1.07 115.58 123.07 3b5m h ASN 50 Ca 0.25 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3b5m h ASN 50 Cb 0.19 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3b5m h ASN 50 CO -0.19 0.94 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.42 3b5m h LEU 51 N 0.41 0.78 -1.05 1.61 3.38 -0.68 -0.01 115.31 119.74 3b5m h LEU 51 Ca 0.02 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3b5m h LEU 51 Cb 0.99 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3b5m h LEU 51 CO 0.09 0.93 -0.44 -0.07 0.09 0.00 0.00 178.44 179.03 3b5m h LEU 52 N 0.62 0.00 0.04 1.67 3.38 -0.83 0.22 115.31 120.41 3b5m h LEU 52 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3b5m h LEU 52 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3b5m h LEU 52 CO 0.03 0.44 -0.26 0.00 0.09 0.00 0.00 178.44 178.74 3b5m h ALA 53 N 1.56 -0.03 0.00 1.53 0.00 -1.09 -3.41 119.26 117.82 3b5m h ALA 53 Ca -0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 3b5m h ALA 53 Cb 0.85 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3b5m h ALA 53 CO 0.06 0.12 -2.30 -1.13 0.00 0.00 0.00 179.25 176.00 3b5m n SER 54 N -4.46 0.04 0.00 0.00 3.41 -0.03 -4.99 113.62 107.59 3b5m n SER 54 Ca -0.11 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3b5m n SER 54 Cb 0.59 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 3b5m n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b5m n GLY 55 N 1.66 0.86 3.38 5.00 0.00 0.06 -4.98 105.19 111.17 3b5m n GLY 55 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3b5m n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b5m s ASN 56 N -2.76 3.21 0.18 1.61 0.01 -1.26 -0.50 114.94 115.43 3b5m s ASN 56 Ca 0.00 -0.77 -0.23 0.00 -0.71 0.00 0.00 52.86 51.15 3b5m s ASN 56 Cb 0.00 -0.21 0.06 0.00 0.41 0.00 0.00 41.25 41.50 3b5m s ASN 56 CO 0.00 0.15 0.72 0.00 -1.51 0.00 0.00 177.10 176.46 3b5m s ALA 57 N -1.21 -1.50 -0.14 0.60 0.00 -1.02 -4.61 121.76 113.89 3b5m s ALA 57 Ca 0.14 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3b5m s ALA 57 Cb -0.10 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.83 3b5m s ALA 57 CO 0.06 -0.89 -0.15 0.08 0.00 0.00 0.00 175.76 174.87 3b5m s VAL 58 N -3.67 1.58 -0.15 0.00 1.01 -0.42 -0.80 120.40 117.94 3b5m s VAL 58 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3b5m s VAL 58 Cb -0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3b5m s VAL 58 CO -0.04 0.46 0.26 -0.63 0.00 0.00 0.00 175.10 175.15 3b5m s ILE 59 N 1.29 5.32 -0.05 2.22 1.01 -0.08 -1.36 121.20 129.55 3b5m s ILE 59 Ca 0.01 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.19 3b5m s ILE 59 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3b5m s ILE 59 CO -0.07 0.43 -0.23 -1.00 0.00 0.00 0.00 174.94 174.07 3b5m s HIS 60 N 0.21 2.47 -0.26 3.97 3.76 0.06 -0.65 115.29 124.86 3b5m s HIS 60 Ca 0.15 -0.55 -0.19 0.00 -0.15 0.00 0.00 55.06 54.33 3b5m s HIS 60 Cb -0.13 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 3b5m s HIS 60 CO 0.03 -0.10 0.57 0.08 -0.85 0.00 0.00 174.74 174.48 3b5m s VAL 61 N -0.35 5.03 0.06 -0.90 1.01 0.20 -2.78 120.40 122.68 3b5m s VAL 61 Ca 0.02 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.04 3b5m s VAL 61 Cb -0.12 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3b5m s VAL 61 CO 0.02 0.06 -0.09 0.27 0.00 0.00 0.00 175.10 175.36 3b5m s ILE 62 N 2.39 0.73 -0.52 2.22 -0.00 -1.26 -0.93 121.20 123.83 3b5m s ILE 62 Ca 0.24 -1.29 0.16 0.00 -0.00 0.00 0.00 60.65 59.75 3b5m s ILE 62 Cb -0.16 -0.92 0.67 0.00 -0.00 0.00 0.00 42.46 42.05 3b5m s ILE 62 CO 0.09 -0.42 1.58 -0.90 -0.00 0.00 0.00 174.94 175.29 3b5m n ASP 63 N 1.14 4.71 -4.35 4.36 5.68 -1.26 -4.87 116.55 121.96 3b5m n ASP 63 Ca -0.20 -2.76 -0.46 0.00 -0.50 0.00 0.00 54.79 50.87 3b5m n ASP 63 Cb 0.56 -0.58 -0.01 0.00 -1.14 0.00 0.00 41.12 39.94 3b5m n ASP 63 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3b5m s ASP 64 N -1.18 7.00 0.35 -1.12 -1.08 -1.26 -4.86 116.67 114.52 3b5m s ASP 64 Ca 0.48 -3.04 0.11 0.00 -0.52 0.00 0.00 52.55 49.58 3b5m s ASP 64 Cb 0.35 -2.23 0.63 0.00 -1.46 0.00 0.00 42.92 40.21 3b5m s ASP 64 CO 0.16 -0.50 1.78 0.00 0.52 0.00 0.00 175.17 177.14 3b5m h ALA 65 N 7.36 1.29 -0.48 3.66 0.00 -1.91 -2.79 119.26 126.39 3b5m h ALA 65 Ca 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3b5m h ALA 65 Cb 0.96 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3b5m h ALA 65 CO 0.91 0.52 0.30 1.25 0.00 0.00 0.00 179.25 182.22 3b5m h LEU 66 N 0.04 0.58 -0.76 0.00 5.85 -1.89 -0.37 115.31 118.76 3b5m h LEU 66 Ca 0.00 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 3b5m h LEU 66 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3b5m h LEU 66 CO 0.05 0.46 -0.29 0.25 -0.34 0.00 0.00 178.44 178.57 3b5m h LEU 67 N 0.65 0.64 -0.27 2.25 5.85 -1.91 0.59 115.31 123.10 3b5m h LEU 67 Ca 0.17 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3b5m h LEU 67 Cb -0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3b5m h LEU 67 CO -0.03 0.90 0.16 0.40 -0.34 0.00 0.00 178.44 179.52 3b5m h ILE 68 N 0.54 1.11 -0.48 4.05 2.04 -1.24 -1.60 117.51 121.94 3b5m h ILE 68 Ca 0.07 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3b5m h ILE 68 Cb 0.77 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3b5m h ILE 68 CO 0.06 0.11 0.28 0.00 0.00 0.00 0.00 178.15 178.61 3b5m h ALA 69 N 1.04 0.61 -0.44 1.87 0.00 -0.56 -0.51 119.26 121.27 3b5m h ALA 69 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3b5m h ALA 69 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3b5m h ALA 69 CO -0.02 -0.02 0.28 0.87 0.00 0.00 0.00 179.25 180.37 3b5m h LYS 70 N 0.57 0.59 0.00 0.00 1.57 -0.75 -2.11 116.57 116.44 3b5m h LYS 70 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3b5m h LYS 70 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3b5m h LYS 70 CO -0.09 0.40 0.00 1.79 -0.57 0.00 0.00 179.45 180.99 3b5m h THR 71 N 0.59 0.00 -0.04 -0.16 1.35 -1.09 -1.48 112.91 112.09 3b5m h THR 71 Ca 0.16 -0.64 -0.20 0.00 -0.55 0.00 0.00 66.41 65.17 3b5m h THR 71 Cb -0.05 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3b5m h THR 71 CO -0.03 0.00 -0.84 0.00 -0.25 0.00 0.00 175.52 174.40 3b5m h ALA 72 N 2.25 0.49 0.05 6.62 0.00 -0.80 -3.36 119.26 124.51 3b5m h ALA 72 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 54.91 53.96 3b5m h ALA 72 Cb 0.77 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3b5m h ALA 72 CO 0.00 0.80 -1.55 0.82 0.00 0.00 0.00 179.25 179.33 3b5m h ILE 73 N 0.24 1.09 -2.16 0.00 2.04 -1.20 -3.49 117.51 114.03 3b5m h ILE 73 Ca -0.05 -2.83 -0.00 0.00 1.00 0.00 0.00 64.86 62.98 3b5m h ILE 73 Cb 1.44 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 40.15 3b5m h ILE 73 CO 0.14 0.73 0.07 0.61 0.00 0.00 0.00 178.15 179.70 3b5m n GLY 74 N 1.60 1.68 3.77 5.37 0.00 -0.57 -5.12 105.19 111.93 3b5m n GLY 74 Ca -0.15 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3b5m n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b5m s LYS 75 N -2.02 4.26 -0.12 1.61 1.02 -1.26 -4.16 119.74 119.07 3b5m s LYS 75 Ca 0.04 0.67 0.02 0.00 0.02 0.00 0.00 55.97 56.72 3b5m s LYS 75 Cb -0.01 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 3b5m s LYS 75 CO 0.02 0.42 -0.20 0.08 -0.92 0.00 0.00 175.35 174.76 3b5m s VAL 76 N -0.34 2.36 -0.41 3.17 1.01 -1.26 -4.99 120.40 119.94 3b5m s VAL 76 Ca 0.29 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 3b5m s VAL 76 Cb -0.18 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3b5m s VAL 76 CO 0.16 0.54 1.66 -0.62 0.00 0.00 0.00 175.10 176.85 3b5m s ASP 77 N 0.53 5.95 0.00 3.32 -1.08 -1.26 -4.65 116.67 119.48 3b5m s ASP 77 Ca -0.12 0.94 0.23 0.00 -0.52 0.00 0.00 52.55 53.07 3b5m s ASP 77 Cb -0.17 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.30 3b5m s ASP 77 CO 0.04 -1.72 1.47 0.00 0.52 0.00 0.00 175.17 175.48 3b5m n ALA 78 N 10.15 2.41 -0.27 3.66 0.00 -1.26 -4.55 120.51 130.66 3b5m n ALA 78 Ca 0.20 -1.10 0.09 0.00 0.00 0.00 0.00 53.44 52.62 3b5m n ALA 78 Cb 0.48 -0.92 0.33 0.00 0.00 0.00 0.00 19.45 19.34 3b5m n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3b5m h SER 79 N 4.27 0.74 -0.17 0.00 0.02 -1.89 -0.53 113.55 115.99 3b5m h SER 79 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3b5m h SER 79 Cb 0.96 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3b5m h SER 79 CO 0.00 0.42 0.00 0.47 -1.14 0.00 0.00 176.83 176.58 3b5m n ASP 80 N -4.53 2.52 -0.47 3.07 8.00 -1.26 -4.17 116.55 119.70 3b5m n ASP 80 Ca 0.15 -1.83 0.12 0.00 0.71 0.00 0.00 54.79 53.94 3b5m n ASP 80 Cb 0.35 -0.10 0.20 0.00 -0.02 0.00 0.00 41.12 41.55 3b5m n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3b5m n LEU 81 N 0.91 1.77 -4.33 0.64 4.77 -0.21 -4.99 117.00 115.56 3b5m n LEU 81 Ca 0.17 -0.60 -0.17 0.00 -0.03 0.00 0.00 56.01 55.38 3b5m n LEU 81 Cb 0.49 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3b5m n LEU 81 CO 0.15 0.32 -0.34 0.68 -1.33 0.00 0.00 177.39 176.87 3b5m s VAL 82 N -2.36 1.11 0.03 4.08 -7.23 -1.22 -0.88 120.40 113.92 3b5m s VAL 82 Ca 0.24 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 3b5m s VAL 82 Cb 0.19 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3b5m s VAL 82 CO 0.49 -0.38 -0.08 0.68 -0.31 0.00 0.00 175.10 175.51 3b5m s VAL 83 N -3.37 0.56 0.42 1.32 -7.23 0.32 -4.80 120.40 107.62 3b5m s VAL 83 Ca 0.27 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.39 3b5m s VAL 83 Cb 0.05 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.34 3b5m s VAL 83 CO 0.08 -0.18 1.33 -2.84 -0.31 0.00 0.00 175.10 173.18 3b5m s PRO 84 N -1.06 3.89 0.01 4.82 0.02 -1.26 -0.91 135.00 140.51 3b5m s PRO 84 Ca -0.05 2.21 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 3b5m s PRO 84 Cb -0.07 -2.72 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 3b5m s PRO 84 CO 0.00 -0.58 0.85 0.42 -0.33 0.00 0.00 177.00 177.36 3b5m s ILE 85 N -1.25 4.82 0.14 2.83 1.01 -0.68 -4.83 121.20 123.24 3b5m s ILE 85 Ca 0.58 1.78 -0.35 0.00 0.00 0.00 0.00 60.65 62.67 3b5m s ILE 85 Cb -0.39 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 37.74 3b5m s ILE 85 CO 0.50 0.26 1.48 -2.65 0.00 0.00 0.00 174.94 174.54 3b5m n PRO 86 N 3.39 1.81 0.00 2.79 -0.02 -1.26 -0.82 135.00 140.89 3b5m n PRO 86 Ca 0.01 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3b5m n PRO 86 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3b5m n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b5m n GLY 87 N 3.01 2.16 1.73 -1.23 0.00 -1.26 -4.82 105.19 104.79 3b5m n GLY 87 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3b5m n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3b5m n LEU 88 N 0.00 0.71 0.23 0.99 4.77 -0.00 -4.96 117.00 118.73 3b5m n LEU 88 Ca 0.00 -2.25 0.08 0.00 -0.03 0.00 0.00 56.01 53.81 3b5m n LEU 88 Cb 0.00 0.09 0.54 0.00 -2.33 0.00 0.00 43.42 41.73 3b5m n LEU 88 CO 0.00 0.80 0.86 -0.33 -1.33 0.00 0.00 177.39 177.39 3b5m h GLU 89 N 1.16 0.00 -0.06 3.23 3.07 -1.68 -0.29 114.58 120.01 3b5m h GLU 89 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3b5m h GLU 89 Cb 1.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 3b5m h GLU 89 CO 0.05 0.22 0.00 -0.40 -1.40 0.00 0.00 179.01 177.48 3b5m n ASP 90 N -3.89 2.44 0.00 1.42 5.68 -1.26 -4.38 116.55 116.56 3b5m n ASP 90 Ca -0.02 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3b5m n ASP 90 Cb 0.31 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3b5m n ASP 90 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3b5m n THR 91 N 0.90 0.00 -3.79 2.12 -2.24 -0.56 -5.04 114.28 105.67 3b5m n THR 91 Ca 0.16 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.80 3b5m n THR 91 Cb 0.50 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 3b5m n THR 91 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3b5m s HIS 92 N -1.62 -0.07 0.06 4.78 3.76 -0.23 -4.77 115.29 117.20 3b5m s HIS 92 Ca 0.00 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.23 3b5m s HIS 92 Cb 0.00 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 3b5m s HIS 92 CO 0.00 -0.10 -0.17 0.14 -0.85 0.00 0.00 174.74 173.77 3b5m s VAL 93 N 0.75 1.34 0.16 -0.90 -7.23 -1.26 -1.68 120.40 111.58 3b5m s VAL 93 Ca -0.06 -1.20 0.10 0.00 -1.81 0.00 0.00 61.98 59.01 3b5m s VAL 93 Cb -0.08 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3b5m s VAL 93 CO -0.03 -0.01 -0.22 0.00 -0.31 0.00 0.00 175.10 174.54 3b5m s ARG 94 N -1.40 1.33 0.29 4.82 1.04 -0.09 -4.70 118.95 120.25 3b5m s ARG 94 Ca 0.03 -1.39 -0.30 0.00 -1.04 0.00 0.00 55.73 53.03 3b5m s ARG 94 Cb -0.09 -1.57 -0.11 0.00 -2.04 0.00 0.00 34.95 31.14 3b5m s ARG 94 CO 0.02 0.34 1.60 -0.51 -0.04 0.00 0.00 175.30 176.71 3b5m s LEU 95 N -2.45 4.35 0.26 -1.89 1.43 -1.26 -0.52 118.68 118.59 3b5m s LEU 95 Ca 0.15 2.94 -0.04 0.00 -1.03 0.00 0.00 54.13 56.15 3b5m s LEU 95 Cb -0.08 -3.63 0.33 0.00 0.03 0.00 0.00 46.19 42.84 3b5m s LEU 95 CO 0.07 -0.92 1.90 0.11 0.23 0.00 0.00 176.35 177.74 3b5m h LYS 96 N 5.00 1.21 -4.72 1.70 1.57 -1.32 -3.38 116.57 116.62 3b5m h LYS 96 Ca -0.47 -0.07 -0.69 0.00 -1.87 0.00 0.00 60.65 57.55 3b5m h LYS 96 Cb 1.22 -0.27 -0.28 0.00 0.08 0.00 0.00 32.23 32.98 3b5m h LYS 96 CO 0.81 0.80 -0.62 1.03 -0.57 0.00 0.00 179.45 180.90 3b5m s ARG 97 N -6.08 2.78 0.21 3.15 1.81 -1.26 -4.92 118.95 114.63 3b5m s ARG 97 Ca -0.13 -1.07 -0.23 0.00 -1.72 0.00 0.00 55.73 52.58 3b5m s ARG 97 Cb 0.19 -3.41 0.04 0.00 -0.45 0.00 0.00 34.95 31.32 3b5m s ARG 97 CO 0.81 -0.59 0.85 0.00 -0.68 0.00 0.00 175.30 175.70 3b5m h HIS 99 N 2.00 0.19 -3.13 0.00 2.76 -1.20 -0.17 115.15 115.60 3b5m h HIS 99 Ca -0.22 -0.14 -0.13 0.00 -2.20 0.00 0.00 60.37 57.69 3b5m h HIS 99 Cb 1.24 -0.01 -0.21 0.00 1.55 0.00 0.00 27.41 29.98 3b5m h HIS 99 CO 0.40 1.31 -0.33 0.50 -1.30 0.00 0.00 177.93 178.51 3b5m s ARG 100 N -2.35 0.59 0.07 5.26 3.52 -1.05 -0.72 118.95 124.27 3b5m s ARG 100 Ca -0.21 -0.16 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 3b5m s ARG 100 Cb 0.02 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 3b5m s ARG 100 CO 0.70 -0.15 -0.13 1.67 -0.81 0.00 0.00 175.30 176.58 3b5m s TRP 101 N -1.16 1.16 -0.18 5.12 1.48 -0.30 -0.62 118.94 124.43 3b5m s TRP 101 Ca -0.12 -0.47 -0.01 0.00 -1.06 0.00 0.00 56.10 54.44 3b5m s TRP 101 Cb -0.05 -0.65 0.05 0.00 -1.16 0.00 0.00 33.47 31.65 3b5m s TRP 101 CO 0.03 0.04 -0.03 -0.06 -4.06 0.00 0.00 176.95 172.87 3b5m s PHE 102 N -1.33 1.68 -0.36 1.66 0.08 0.17 -1.65 117.98 118.23 3b5m s PHE 102 Ca -0.02 -1.16 -0.22 0.00 0.12 0.00 0.00 56.93 55.65 3b5m s PHE 102 Cb -0.10 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3b5m s PHE 102 CO 0.02 -0.64 0.72 0.00 -0.10 0.00 0.00 175.22 175.22 3b5m s ALA 103 N 1.64 3.44 0.28 5.36 0.00 0.11 -0.90 121.76 131.69 3b5m s ALA 103 Ca -0.01 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.33 3b5m s ALA 103 Cb -0.16 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3b5m s ALA 103 CO -0.07 -1.43 -0.16 0.14 0.00 0.00 0.00 175.76 174.24 3b5m s VAL 104 N 2.94 2.65 -0.00 0.00 -7.23 0.02 -0.07 120.40 118.70 3b5m s VAL 104 Ca 0.28 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3b5m s VAL 104 Cb -0.14 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3b5m s VAL 104 CO 0.16 -0.38 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.96 3b5m s ARG 105 N -3.55 0.09 0.19 4.82 3.52 -0.27 -2.43 118.95 121.33 3b5m s ARG 105 Ca 0.30 -0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.57 3b5m s ARG 105 Cb -0.05 -0.11 -0.10 0.00 -1.56 0.00 0.00 34.95 33.13 3b5m s ARG 105 CO 0.16 0.01 1.51 0.08 -0.81 0.00 0.00 175.30 176.25 3b5m s VAL 106 N 0.06 2.68 -0.03 7.11 1.01 0.35 -1.48 120.40 130.11 3b5m s VAL 106 Ca -0.00 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.56 3b5m s VAL 106 Cb -0.02 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3b5m s VAL 106 CO -0.00 0.06 0.10 0.35 0.00 0.00 0.00 175.10 175.60 3b5m n THR 107 N 3.37 0.16 -3.78 3.92 -2.24 0.86 -4.91 114.28 111.66 3b5m n THR 107 Ca 0.11 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3b5m n THR 107 Cb 0.39 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 3b5m n THR 107 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3b5m s GLN 108 N -2.35 0.67 0.00 -0.78 -0.21 -1.13 -4.99 119.66 110.87 3b5m s GLN 108 Ca -0.03 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.07 3b5m s GLN 108 Cb 0.03 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 34.33 3b5m s GLN 108 CO 0.27 -0.19 -0.03 -0.98 -2.12 0.00 0.00 175.29 172.24 3b5m s ARG 109 N -1.59 0.26 0.04 2.91 3.03 -1.26 -1.17 118.95 121.17 3b5m s ARG 109 Ca -0.12 -0.19 -0.02 0.00 2.03 0.00 0.00 55.73 57.43 3b5m s ARG 109 Cb -0.05 -0.20 0.01 0.00 -1.03 0.00 0.00 34.95 33.68 3b5m s ARG 109 CO 0.02 0.05 0.10 0.00 -1.13 0.00 0.00 175.30 174.34 3b5m n ALA 110 N 2.78 -0.22 0.00 7.88 0.00 -0.39 -5.02 120.51 125.54 3b5m n ALA 110 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3b5m n ALA 110 Cb 0.58 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.15 3b5m n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b5m n GLY 111 N -0.07 3.13 3.64 0.00 0.00 -1.26 -1.17 105.19 109.46 3b5m n GLY 111 Ca -0.01 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3b5m n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b5m s THR 112 N -1.05 4.97 0.17 2.61 2.01 -1.25 -4.86 115.64 118.23 3b5m s THR 112 Ca 0.00 1.23 -0.33 0.00 0.31 0.00 0.00 61.69 62.89 3b5m s THR 112 Cb 0.00 -3.97 -0.15 0.00 0.01 0.00 0.00 72.50 68.39 3b5m s THR 112 CO 0.00 0.03 1.30 -2.65 -0.69 0.00 0.00 174.62 172.61 3b5m n PRO 113 N 5.58 1.44 -0.25 4.92 -0.02 -1.26 -0.45 135.00 144.95 3b5m n PRO 113 Ca 0.00 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 3b5m n PRO 113 Cb 0.49 -2.11 0.20 0.00 -0.02 0.00 0.00 33.50 32.07 3b5m n PRO 113 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3b5m n PRO 114 N 2.15 2.12 -2.70 0.52 -0.04 -1.26 -5.11 135.00 130.68 3b5m n PRO 114 Ca 0.15 -1.64 -0.36 0.00 -0.04 0.00 0.00 63.50 61.61 3b5m n PRO 114 Cb 0.25 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 3b5m n PRO 114 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3b5m s ARG 115 N -1.43 4.31 -0.04 0.54 3.52 0.40 -4.41 118.95 121.85 3b5m s ARG 115 Ca 0.30 1.34 0.04 0.00 -0.13 0.00 0.00 55.73 57.28 3b5m s ARG 115 Cb 0.16 -2.52 -0.00 0.00 -1.56 0.00 0.00 34.95 31.03 3b5m s ARG 115 CO 0.20 0.02 -0.15 -1.01 -0.81 0.00 0.00 175.30 173.55 3b5m s HIS 116 N -1.79 1.50 -0.26 5.12 3.76 -1.26 -3.77 115.29 118.58 3b5m s HIS 116 Ca 0.57 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 3b5m s HIS 116 Cb -0.17 -1.02 0.08 0.00 1.11 0.00 0.00 32.58 32.58 3b5m s HIS 116 CO 0.22 -0.14 0.03 -1.21 -0.85 0.00 0.00 174.74 172.79 3b5m s GLU 117 N 0.06 1.07 -0.25 1.40 2.02 -0.32 -4.27 118.70 118.41 3b5m s GLU 117 Ca -0.03 -0.98 -0.04 0.00 0.02 0.00 0.00 54.97 53.94 3b5m s GLU 117 Cb -0.10 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3b5m s GLU 117 CO 0.02 -0.78 -0.02 -0.51 0.02 0.00 0.00 175.26 173.99 3b5m s LEU 118 N 1.53 3.25 0.15 1.80 1.43 0.11 -1.26 118.68 125.68 3b5m s LEU 118 Ca 0.02 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 3b5m s LEU 118 Cb -0.18 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 3b5m s LEU 118 CO -0.13 -0.10 0.82 -0.89 0.23 0.00 0.00 176.35 176.27 3b5m s THR 119 N 1.43 4.41 0.01 5.49 2.01 -0.31 -0.39 115.64 128.28 3b5m s THR 119 Ca 0.03 1.79 0.02 0.00 0.31 0.00 0.00 61.69 63.84 3b5m s THR 119 Cb -0.16 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 3b5m s THR 119 CO -0.02 0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 174.31 3b5m s ALA 120 N -0.79 0.45 0.23 7.40 0.00 0.04 -0.10 121.76 128.99 3b5m s ALA 120 Ca 0.38 -0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.07 3b5m s ALA 120 Cb -0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3b5m s ALA 120 CO 0.27 0.06 -0.12 -0.98 0.00 0.00 0.00 175.76 174.99 3b5m s ARG 121 N -0.56 1.93 -0.03 0.00 1.70 -0.55 -1.26 118.95 120.19 3b5m s ARG 121 Ca -0.02 -1.49 -0.29 0.00 -0.47 0.00 0.00 55.73 53.46 3b5m s ARG 121 Cb -0.04 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 3b5m s ARG 121 CO -0.00 0.38 0.95 0.00 -1.08 0.00 0.00 175.30 175.55 3b5m h LEU 123 N 7.08 0.00 -7.00 0.00 3.38 -0.83 -3.48 115.31 114.46 3b5m h LEU 123 Ca -0.39 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3b5m h LEU 123 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 3b5m h LEU 123 CO 0.77 0.91 0.34 0.00 0.09 0.00 0.00 178.44 180.55 3b5m s ALA 124 N -2.68 -1.70 0.14 1.53 0.00 -1.16 -5.03 121.76 112.85 3b5m s ALA 124 Ca -0.03 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 3b5m s ALA 124 Cb 0.08 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.89 3b5m s ALA 124 CO 0.82 -0.73 0.39 0.45 0.00 0.00 0.00 175.76 176.69 3b5m s SER 125 N -2.61 -0.18 0.07 0.00 0.15 -1.26 -0.72 113.70 109.15 3b5m s SER 125 Ca 0.03 -0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.00 3b5m s SER 125 Cb -0.01 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.86 3b5m s SER 125 CO -0.11 -0.88 0.72 -0.83 1.20 0.00 0.00 173.24 173.34 3b5m s GLY 126 N -2.83 -0.55 -0.08 9.45 0.00 -0.66 -4.99 107.32 107.66 3b5m s GLY 126 Ca 0.05 0.82 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 3b5m s GLY 126 CO -0.09 0.35 0.07 1.08 0.00 0.00 0.00 173.10 174.50 3b5m s LEU 127 N -2.41 3.96 0.00 0.66 1.43 -1.26 -1.15 118.68 119.91 3b5m s LEU 127 Ca 0.01 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3b5m s LEU 127 Cb -0.01 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3b5m s LEU 127 CO -0.09 0.37 0.00 0.52 0.23 0.00 0.00 176.35 177.38 3b5m n VAL 128 N 1.85 0.00 -3.41 -1.59 0.31 0.10 -4.98 118.33 110.61 3b5m n VAL 128 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 3b5m n VAL 128 Cb 0.54 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 3b5m n VAL 128 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3b5m s ASP 129 N 1.00 6.39 0.67 4.52 1.01 -0.08 -4.99 116.67 125.19 3b5m s ASP 129 Ca 0.00 0.58 -0.16 0.00 0.71 0.00 0.00 52.55 53.67 3b5m s ASP 129 Cb 0.00 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3b5m s ASP 129 CO 0.00 -0.20 1.21 -2.84 0.21 0.00 0.00 175.17 173.55 3b5m s PRO 130 N -3.73 2.48 -0.02 8.23 0.02 -1.26 -4.18 135.00 136.53 3b5m s PRO 130 Ca 0.42 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 3b5m s PRO 130 Cb -0.10 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3b5m s PRO 130 CO 0.32 -1.58 0.57 0.12 -0.33 0.00 0.00 177.00 176.10 3b5m s PHE 131 N -1.83 3.66 0.16 6.54 5.36 -1.26 -4.81 117.98 125.80 3b5m s PHE 131 Ca 0.76 1.14 -0.15 0.00 -0.96 0.00 0.00 56.93 57.72 3b5m s PHE 131 Cb -0.30 -2.59 0.10 0.00 -0.34 0.00 0.00 43.02 39.89 3b5m s PHE 131 CO 0.41 0.33 1.73 0.35 -1.46 0.00 0.00 175.22 176.58 3b5m h PHE 132 N 5.80 0.16 0.00 10.12 3.57 -1.94 -3.48 116.94 131.17 3b5m h PHE 132 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3b5m h PHE 132 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3b5m h PHE 132 CO 0.65 0.04 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 3b5m n GLY 133 N -1.24 0.76 3.75 2.40 0.00 -1.26 -5.04 105.19 104.56 3b5m n GLY 133 Ca 0.02 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 3b5m n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b5m s PHE 134 N -0.86 2.82 -0.14 1.61 0.08 -1.26 -4.99 117.98 115.24 3b5m s PHE 134 Ca 0.00 0.85 -0.05 0.00 0.12 0.00 0.00 56.93 57.85 3b5m s PHE 134 Cb 0.00 -4.00 0.07 0.00 -0.57 0.00 0.00 43.02 38.51 3b5m s PHE 134 CO 0.00 -3.34 0.29 1.21 -0.10 0.00 0.00 175.22 173.28 3b5m s ASN 135 N 0.45 0.16 0.36 1.36 3.84 -1.26 -5.05 114.94 114.80 3b5m s ASN 135 Ca 0.62 0.65 0.08 0.00 0.21 0.00 0.00 52.86 54.42 3b5m s ASN 135 Cb -0.46 0.76 0.69 0.00 -0.55 0.00 0.00 41.25 41.68 3b5m s ASN 135 CO 0.47 -0.23 1.87 0.03 -2.79 0.00 0.00 177.10 176.45 3b5m h ARG 136 N 8.09 0.29 -0.24 0.43 3.08 -1.90 -1.65 114.38 122.48 3b5m h ARG 136 Ca -0.19 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3b5m h ARG 136 Cb 1.12 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3b5m h ARG 136 CO 0.17 0.45 0.06 0.00 -1.07 0.00 0.00 179.97 179.58 3b5m h ALA 137 N 1.57 0.32 -0.89 0.04 0.00 -1.83 -1.17 119.26 117.28 3b5m h ALA 137 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3b5m h ALA 137 Cb 0.45 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3b5m h ALA 137 CO 0.03 -0.03 0.59 0.87 0.00 0.00 0.00 179.25 180.70 3b5m h LYS 138 N 0.21 1.15 -0.58 0.00 1.57 -1.81 -0.95 116.57 116.16 3b5m h LYS 138 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3b5m h LYS 138 Cb 0.28 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3b5m h LYS 138 CO 0.00 0.76 0.28 0.45 -0.57 0.00 0.00 179.45 180.37 3b5m h HIS 139 N 1.18 0.83 -0.11 -1.35 3.86 -1.10 -2.00 115.15 116.45 3b5m h HIS 139 Ca 0.34 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.38 3b5m h HIS 139 Cb -0.09 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3b5m h HIS 139 CO -0.01 0.63 -0.48 0.00 0.86 0.00 0.00 177.93 178.93 3b5m h ALA 140 N 1.11 0.98 -0.45 2.45 0.00 -0.80 -1.90 119.26 120.64 3b5m h ALA 140 Ca 0.20 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3b5m h ALA 140 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3b5m h ALA 140 CO -0.03 0.65 0.25 0.28 0.00 0.00 0.00 179.25 180.41 3b5m h VAL 141 N 0.22 1.01 -0.36 0.00 2.07 -0.86 -0.56 116.25 117.77 3b5m h VAL 141 Ca 0.01 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3b5m h VAL 141 Cb 0.94 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3b5m h VAL 141 CO 0.08 0.09 0.23 0.40 0.02 0.00 0.00 177.57 178.39 3b5m h ILE 142 N 0.50 1.08 -0.86 4.57 2.04 -1.06 0.32 117.51 124.11 3b5m h ILE 142 Ca 0.19 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3b5m h ILE 142 Cb 0.05 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3b5m h ILE 142 CO -0.11 0.09 0.55 -0.33 0.00 0.00 0.00 178.15 178.35 3b5m h GLU 143 N 0.47 1.14 -0.42 2.37 4.39 -1.00 -0.81 114.58 120.72 3b5m h GLU 143 Ca 0.13 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3b5m h GLU 143 Cb -0.04 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 3b5m h GLU 143 CO -0.04 0.78 -0.32 0.00 -1.16 0.00 0.00 179.01 178.27 3b5m h ALA 144 N 1.30 0.61 -0.54 3.43 0.00 -0.78 -1.24 119.26 122.03 3b5m h ALA 144 Ca 0.31 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3b5m h ALA 144 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3b5m h ALA 144 CO -0.06 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.99 3b5m h ALA 145 N 0.81 0.72 -0.21 0.00 0.00 -0.68 -0.57 119.26 119.33 3b5m h ALA 145 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b5m h ALA 145 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3b5m h ALA 145 CO 0.08 0.42 0.12 0.28 0.00 0.00 0.00 179.25 180.15 3b5m h VAL 146 N 0.77 1.09 -0.92 0.00 2.07 -1.06 -2.53 116.25 115.67 3b5m h VAL 146 Ca 0.17 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3b5m h VAL 146 Cb 0.34 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3b5m h VAL 146 CO 0.00 0.09 0.61 0.00 0.02 0.00 0.00 177.57 178.29 3b5m h ALA 147 N 1.02 1.36 0.00 1.67 0.00 -0.94 -2.51 119.26 119.86 3b5m h ALA 147 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b5m h ALA 147 Cb 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3b5m h ALA 147 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3b5m n ALA 148 N -2.39 2.22 -0.66 0.00 0.00 -0.24 -3.60 120.51 115.82 3b5m n ALA 148 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.57 3b5m n ALA 148 Cb 0.03 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.11 3b5m n ALA 148 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3b5m n THR 149 N -2.01 1.49 -1.89 0.00 -2.24 -0.97 -4.85 114.28 103.81 3b5m n THR 149 Ca 0.06 -1.71 -0.38 0.00 -2.27 0.00 0.00 64.05 59.75 3b5m n THR 149 Cb 0.38 0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 3b5m n THR 149 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3b5m s ARG 150 N -2.06 3.24 0.20 -0.78 0.52 -1.06 -4.92 118.95 114.08 3b5m s ARG 150 Ca 0.19 2.12 -0.11 0.00 -0.52 0.00 0.00 55.73 57.41 3b5m s ARG 150 Cb 0.16 -2.26 0.20 0.00 0.52 0.00 0.00 34.95 33.57 3b5m s ARG 150 CO 0.02 -1.07 1.80 -0.07 0.02 0.00 0.00 175.30 175.99 3b5m h LEU 151 N 1.53 0.46 -8.79 2.53 4.07 -1.95 -3.38 115.31 109.78 3b5m h LEU 151 Ca -0.51 0.03 -0.64 0.00 0.08 0.00 0.00 57.88 56.85 3b5m h LEU 151 Cb 1.29 -0.06 -0.21 0.00 1.08 0.00 0.00 40.66 42.76 3b5m h LEU 151 CO 0.58 0.31 -0.62 -1.00 -1.08 0.00 0.00 178.44 176.62 3b5m s HIS 152 N -6.11 3.10 0.42 1.13 3.76 -1.26 -5.06 115.29 111.27 3b5m s HIS 152 Ca -0.13 -0.30 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 3b5m s HIS 152 Cb 0.15 -2.13 -0.09 0.00 1.11 0.00 0.00 32.58 31.62 3b5m s HIS 152 CO 0.75 -0.17 1.42 -0.51 -0.85 0.00 0.00 174.74 175.38 3b5m s LEU 153 N 1.02 4.20 0.56 0.89 2.01 -1.26 -4.99 118.68 121.11 3b5m s LEU 153 Ca 0.03 2.92 -0.16 0.00 0.01 0.00 0.00 54.13 56.92 3b5m s LEU 153 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 46.19 42.16 3b5m s LEU 153 CO 0.02 -1.02 1.03 -0.76 1.01 0.00 0.00 176.35 176.63 3b5m s LEU 154 N -2.47 3.55 0.43 1.79 1.43 -1.26 -5.01 118.68 117.14 3b5m s LEU 154 Ca 0.58 1.73 -0.24 0.00 -1.03 0.00 0.00 54.13 55.16 3b5m s LEU 154 Cb -0.44 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.16 3b5m s LEU 154 CO 0.57 -0.94 1.13 -2.65 0.23 0.00 0.00 176.35 174.69 3b5m n PRO 155 N -1.85 1.59 -0.32 1.29 -0.02 -1.26 -4.75 135.00 129.68 3b5m n PRO 155 Ca 0.08 0.57 0.17 0.00 -2.02 0.00 0.00 63.50 62.30 3b5m n PRO 155 Cb 0.53 -2.21 0.37 0.00 -0.02 0.00 0.00 33.50 32.17 3b5m n PRO 155 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3b5m h PRO 156 N 1.72 0.37 -0.61 0.52 0.11 -2.00 0.27 132.00 132.39 3b5m h PRO 156 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3b5m h PRO 156 Cb 1.32 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3b5m h PRO 156 CO 0.58 0.24 0.28 1.05 -0.21 0.00 0.00 178.00 179.95 3b5m h GLU 157 N 0.38 0.86 -0.11 1.05 9.09 -1.99 -1.41 114.58 122.44 3b5m h GLU 157 Ca 0.63 -0.11 -0.10 0.00 0.05 0.00 0.00 59.36 59.83 3b5m h GLU 157 Cb 1.29 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3b5m h GLU 157 CO -0.56 0.67 -0.33 0.93 0.05 0.00 0.00 179.01 179.77 3b5m h GLU 158 N 0.85 0.42 -0.59 1.06 5.08 -1.30 -1.82 114.58 118.28 3b5m h GLU 158 Ca 0.21 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3b5m h GLU 158 Cb 0.10 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3b5m h GLU 158 CO -0.03 0.92 -0.01 0.97 -1.00 0.00 0.00 179.01 179.86 3b5m h ILE 159 N -0.01 1.26 -0.82 3.13 6.09 -1.42 -2.39 117.51 123.37 3b5m h ILE 159 Ca -0.01 -1.16 -0.02 0.00 -1.37 0.00 0.00 64.86 62.31 3b5m h ILE 159 Cb 0.94 0.82 -0.04 0.00 0.47 0.00 0.00 36.82 39.02 3b5m h ILE 159 CO 0.07 0.42 0.44 -0.33 -3.07 0.00 0.00 178.15 175.68 3b5m h GLU 160 N 0.95 1.14 -0.38 2.19 4.39 -1.25 -1.53 114.58 120.09 3b5m h GLU 160 Ca 0.17 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3b5m h GLU 160 Cb 0.57 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3b5m h GLU 160 CO 0.03 0.84 0.25 1.49 -1.16 0.00 0.00 179.01 180.46 3b5m h GLU 161 N 1.14 0.50 -0.70 2.33 4.81 -1.09 -0.91 114.58 120.66 3b5m h GLU 161 Ca 0.29 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3b5m h GLU 161 Cb 0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3b5m h GLU 161 CO -0.05 0.33 0.31 0.93 -0.73 0.00 0.00 179.01 179.80 3b5m h GLU 162 N 0.51 1.01 -0.31 1.92 4.39 -1.03 -0.76 114.58 120.32 3b5m h GLU 162 Ca 0.14 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 3b5m h GLU 162 Cb -0.06 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 3b5m h GLU 162 CO -0.03 0.80 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.19 3b5m h LEU 163 N 1.00 0.76 -0.38 1.33 3.38 -0.97 -1.34 115.31 119.08 3b5m h LEU 163 Ca 0.24 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3b5m h LEU 163 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3b5m h LEU 163 CO -0.03 1.04 -0.35 -0.08 0.09 0.00 0.00 178.44 179.12 3b5m h GLU 164 N 0.60 0.91 -0.90 1.13 4.57 -0.92 -0.03 114.58 119.94 3b5m h GLU 164 Ca 0.06 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 3b5m h GLU 164 Cb 0.90 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 3b5m h GLU 164 CO 0.08 1.12 0.50 0.00 -1.18 0.00 0.00 179.01 179.53 3b5m h ARG 165 N 0.72 1.25 -0.49 1.92 3.08 -1.01 -1.53 114.38 118.32 3b5m h ARG 165 Ca 0.06 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3b5m h ARG 165 Cb 0.94 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3b5m h ARG 165 CO 0.09 0.91 0.06 0.00 -1.07 0.00 0.00 179.97 179.96 3b5m h ALA 166 N 1.29 0.65 -0.47 0.04 0.00 -1.00 -1.59 119.26 118.18 3b5m h ALA 166 Ca 0.32 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3b5m h ALA 166 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3b5m h ALA 166 CO -0.05 0.40 0.22 -0.09 0.00 0.00 0.00 179.25 179.74 3b5m h ARG 167 N 0.69 0.43 0.06 0.00 2.43 -0.45 -0.00 114.38 117.55 3b5m h ARG 167 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3b5m h ARG 167 Cb 0.42 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3b5m h ARG 167 CO 0.01 0.29 -0.03 0.82 -1.51 0.00 0.00 179.97 179.55 3b5m h ILE 168 N 0.45 1.03 -0.92 1.20 1.08 -1.21 -1.01 117.51 118.12 3b5m h ILE 168 Ca 0.20 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3b5m h ILE 168 Cb 0.13 1.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3b5m h ILE 168 CO -0.15 0.07 0.61 0.00 -0.69 0.00 0.00 178.15 177.99 3b5m h ALA 169 N 0.71 1.33 -0.37 1.87 0.00 -1.03 -1.45 119.26 120.32 3b5m h ALA 169 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3b5m h ALA 169 Cb 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3b5m h ALA 169 CO 0.01 0.62 -0.13 0.82 0.00 0.00 0.00 179.25 180.57 3b5m h ILE 170 N 1.26 1.28 -0.87 0.00 2.04 -0.85 -0.64 117.51 119.72 3b5m h ILE 170 Ca 0.34 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3b5m h ILE 170 Cb -0.14 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3b5m h ILE 170 CO -0.07 0.41 0.58 -0.33 0.00 0.00 0.00 178.15 178.73 3b5m h GLU 171 N 0.54 1.14 0.01 2.37 5.08 -0.83 -0.41 114.58 122.48 3b5m h GLU 171 Ca 0.09 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3b5m h GLU 171 Cb 0.66 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3b5m h GLU 171 CO 0.04 0.76 -0.93 0.87 -1.00 0.00 0.00 179.01 178.75 3b5m h LYS 172 N 1.18 0.24 0.00 2.33 1.57 -1.11 -3.41 116.57 117.37 3b5m h LYS 172 Ca 0.32 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3b5m h LYS 172 Cb -0.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3b5m h LYS 172 CO -0.08 1.01 0.00 0.25 -0.57 0.00 0.00 179.45 180.07 3b5m n THR 173 N -3.66 0.00 -3.38 -0.16 -2.24 -0.26 -5.10 114.28 99.48 3b5m n THR 173 Ca -0.05 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 3b5m n THR 173 Cb 0.84 1.55 0.02 0.00 -2.10 0.00 0.00 70.33 70.63 3b5m n THR 173 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3b5m s GLY 174 N -0.01 2.02 0.00 3.38 0.00 -0.17 -4.66 107.32 107.87 3b5m s GLY 174 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 3b5m s GLY 174 CO 0.00 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.96 3b5m n GLY 175 N -1.94 4.69 0.32 0.20 0.00 -1.26 -4.89 105.19 102.31 3b5m n GLY 175 Ca 0.08 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 3b5m n GLY 175 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b5m h GLU 176 N 0.00 1.05 -0.45 1.61 4.57 -1.99 -1.66 114.58 117.71 3b5m h GLU 176 Ca 0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3b5m h GLU 176 Cb 0.00 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 3b5m h GLU 176 CO 0.00 0.70 0.30 -1.35 -1.18 0.00 0.00 179.01 177.47 3b5m h PRO 177 N 1.08 0.57 -0.18 0.92 0.11 -1.99 0.42 132.00 132.94 3b5m h PRO 177 Ca 0.32 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 3b5m h PRO 177 Cb -0.07 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 3b5m h PRO 177 CO -0.09 0.38 -0.63 0.93 -0.21 0.00 0.00 178.00 178.38 3b5m h GLU 178 N 0.59 0.64 -0.25 1.05 3.07 -1.83 -0.19 114.58 117.66 3b5m h GLU 178 Ca 0.17 -0.45 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3b5m h GLU 178 Cb -0.04 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3b5m h GLU 178 CO -0.04 1.07 0.16 0.00 -1.40 0.00 0.00 179.01 178.80 3b5m h ARG 179 N 0.47 0.33 -0.54 2.33 3.08 -0.85 -1.78 114.38 117.42 3b5m h ARG 179 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3b5m h ARG 179 Cb 1.21 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 3b5m h ARG 179 CO 0.12 0.22 0.35 1.49 -1.07 0.00 0.00 179.97 181.08 3b5m h GLU 180 N 0.33 0.68 -0.42 0.04 4.81 -0.81 -2.10 114.58 117.12 3b5m h GLU 180 Ca 0.09 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3b5m h GLU 180 Cb -0.03 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 3b5m h GLU 180 CO -0.02 0.45 0.14 0.00 -0.73 0.00 0.00 179.01 178.85 3b5m h ALA 181 N 1.21 0.49 -0.78 2.92 0.00 -0.77 -1.29 119.26 121.04 3b5m h ALA 181 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3b5m h ALA 181 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3b5m h ALA 181 CO -0.06 -0.25 0.33 1.25 0.00 0.00 0.00 179.25 180.52 3b5m h LEU 182 N 0.31 1.06 -0.84 0.00 5.85 -1.05 -0.84 115.31 119.80 3b5m h LEU 182 Ca 0.19 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3b5m h LEU 182 Cb 0.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3b5m h LEU 182 CO -0.20 0.93 0.56 1.56 -0.34 0.00 0.00 178.44 180.95 3b5m h GLN 183 N 1.12 1.10 -0.66 1.25 1.08 -1.02 0.79 115.11 118.77 3b5m h GLN 183 Ca 0.26 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 3b5m h GLN 183 Cb 0.19 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3b5m h GLN 183 CO -0.02 0.73 0.15 -0.07 -0.95 0.00 0.00 178.83 178.66 3b5m h LEU 184 N 1.13 1.00 -0.30 1.46 3.38 -0.77 -1.63 115.31 119.57 3b5m h LEU 184 Ca 0.31 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3b5m h LEU 184 Cb -0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 3b5m h LEU 184 CO -0.07 0.97 -0.16 0.40 0.09 0.00 0.00 178.44 179.67 3b5m h ILE 185 N 1.00 1.29 -0.97 1.22 2.04 -0.69 -1.61 117.51 119.80 3b5m h ILE 185 Ca 0.21 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.87 3b5m h ILE 185 Cb 0.37 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 3b5m h ILE 185 CO 0.00 0.41 0.62 0.03 0.00 0.00 0.00 178.15 179.21 3b5m h ARG 186 N 0.40 1.05 -0.33 2.37 3.08 -0.70 -0.83 114.38 119.42 3b5m h ARG 186 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3b5m h ARG 186 Cb 0.69 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3b5m h ARG 186 CO 0.05 0.69 0.12 -0.09 -1.07 0.00 0.00 179.97 179.67 3b5m h ARG 187 N 1.08 0.50 -0.78 0.04 2.43 -1.06 -1.02 114.38 115.56 3b5m h ARG 187 Ca 0.44 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 3b5m h ARG 187 Cb 0.25 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3b5m h ARG 187 CO -0.20 0.52 0.52 1.25 -1.51 0.00 0.00 179.97 180.54 3b5m h HIS 188 N 0.38 0.98 -0.55 2.20 2.76 -0.53 -0.68 115.15 119.70 3b5m h HIS 188 Ca 0.11 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3b5m h HIS 188 Cb 0.21 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3b5m h HIS 188 CO 0.00 0.60 0.24 0.28 -1.30 0.00 0.00 177.93 177.76 3b5m h VAL 189 N 1.04 1.21 -0.52 5.26 2.07 -0.92 -1.92 116.25 122.48 3b5m h VAL 189 Ca 0.29 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3b5m h VAL 189 Cb -0.10 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3b5m h VAL 189 CO -0.07 0.25 0.20 0.03 0.02 0.00 0.00 177.57 178.00 3b5m h ARG 190 N 0.75 0.77 0.00 1.57 3.08 -0.76 -2.74 114.38 117.05 3b5m h ARG 190 Ca 0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3b5m h ARG 190 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3b5m h ARG 190 CO -0.02 0.68 0.00 0.93 -1.07 0.00 0.00 179.97 180.49 3b5m h GLU 191 N 0.69 0.00 -0.01 0.04 5.08 -1.03 -3.06 114.58 116.30 3b5m h GLU 191 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3b5m h GLU 191 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3b5m h GLU 191 CO -0.01 0.00 -0.20 0.43 -1.00 0.00 0.00 179.01 178.23 3b5m n SER 192 N -2.60 1.23 0.00 1.42 7.64 -0.73 -5.09 113.62 115.48 3b5m n SER 192 Ca 0.02 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.81 3b5m n SER 192 Cb 0.32 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3b5m n SER 192 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49