#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 3.83 -0.05 -3.43 2.96 -1.26 -5.00 118.68 115.73 3b5m s LEU 1 Ca 0.00 0.68 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 3b5m s LEU 1 Cb 0.00 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.21 3b5m s LEU 1 CO 0.00 -1.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.17 3b5m s ILE 2 N 3.95 1.64 -0.14 6.68 1.01 -1.26 -0.80 121.20 132.28 3b5m s ILE 2 Ca 0.45 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3b5m s ILE 2 Cb -0.10 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 3b5m s ILE 2 CO 0.23 0.47 0.33 -0.22 0.00 0.00 0.00 174.94 175.75 3b5m s LEU 3 N 0.02 4.27 -0.61 2.97 2.96 -0.84 -4.99 118.68 122.46 3b5m s LEU 3 Ca -0.05 0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 54.20 3b5m s LEU 3 Cb -0.13 -2.44 0.04 0.00 0.50 0.00 0.00 46.19 44.17 3b5m s LEU 3 CO 0.03 0.11 1.06 -1.61 -1.32 0.00 0.00 176.35 174.61 3b5m s GLU 4 N 0.35 3.30 0.41 1.98 0.41 -1.26 -3.43 118.70 120.45 3b5m s GLU 4 Ca 0.19 -0.27 0.07 0.00 -0.41 0.00 0.00 54.97 54.55 3b5m s GLU 4 Cb -0.14 -4.10 -0.07 0.00 -1.78 0.00 0.00 34.13 28.05 3b5m s GLU 4 CO 0.06 -1.71 0.10 -1.54 -0.49 0.00 0.00 175.26 171.68 3b5m s SER 5 N 3.19 4.15 -0.07 -0.19 1.04 -0.30 -4.73 113.70 116.79 3b5m s SER 5 Ca 0.32 -1.22 0.01 0.00 0.48 0.00 0.00 55.95 55.54 3b5m s SER 5 Cb -0.12 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 3b5m s SER 5 CO 0.18 -0.50 -0.09 -0.76 0.98 0.00 0.00 173.24 173.05 3b5m s LEU 6 N -3.81 3.02 -0.11 2.42 1.43 -1.09 -2.02 118.68 118.52 3b5m s LEU 6 Ca 0.38 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3b5m s LEU 6 Cb 0.07 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3b5m s LEU 6 CO 0.20 0.33 -0.21 -0.69 0.23 0.00 0.00 176.35 176.22 3b5m s VAL 7 N -0.62 2.37 -0.05 -1.59 1.01 0.70 -0.64 120.40 121.58 3b5m s VAL 7 Ca 0.09 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3b5m s VAL 7 Cb -0.11 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3b5m s VAL 7 CO 0.02 0.55 0.20 0.42 0.00 0.00 0.00 175.10 176.28 3b5m s THR 8 N 0.30 5.42 0.12 3.92 -4.23 -0.45 -1.61 115.64 119.10 3b5m s THR 8 Ca -0.15 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3b5m s THR 8 Cb -0.17 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 3b5m s THR 8 CO 0.08 0.45 0.09 0.42 -0.54 0.00 0.00 174.62 175.12 3b5m s THR 9 N -1.20 0.12 -0.01 3.99 -4.23 -0.72 -1.31 115.64 112.28 3b5m s THR 9 Ca 0.23 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 3b5m s THR 9 Cb -0.13 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3b5m s THR 9 CO 0.12 -0.57 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.68 3b5m s LEU 10 N -2.99 2.46 0.00 4.79 1.43 -1.26 -0.68 118.68 122.42 3b5m s LEU 10 Ca 0.17 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3b5m s LEU 10 Cb 0.07 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.89 3b5m s LEU 10 CO -0.02 0.31 0.41 -0.90 0.23 0.00 0.00 176.35 176.37 3b5m n ASP 11 N 2.12 0.18 0.28 2.29 5.75 -0.50 -4.76 116.55 121.91 3b5m n ASP 11 Ca -0.17 -1.24 0.17 0.00 -0.01 0.00 0.00 54.79 53.54 3b5m n ASP 11 Cb 0.52 -0.30 0.81 0.00 -1.03 0.00 0.00 41.12 41.12 3b5m n ASP 11 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3b5m h GLU 12 N 0.00 0.00 -0.42 0.11 4.39 -1.97 -1.34 114.58 115.35 3b5m h GLU 12 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3b5m h GLU 12 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3b5m h GLU 12 CO 0.11 0.06 0.00 1.04 -1.16 0.00 0.00 179.01 179.06 3b5m n GLN 13 N -3.29 2.46 -0.77 2.33 6.02 -1.26 -4.95 117.38 117.93 3b5m n GLN 13 Ca -0.01 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 3b5m n GLN 13 Cb 0.24 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3b5m n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b5m n GLY 14 N 1.39 0.67 3.76 1.08 0.00 -0.51 -5.03 105.19 106.55 3b5m n GLY 14 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.23 4.48 -0.08 1.61 0.52 -1.26 -4.70 118.95 119.29 3b5m s ARG 15 Ca 0.00 2.01 -0.18 0.00 -0.52 0.00 0.00 55.73 57.04 3b5m s ARG 15 Cb 0.00 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 3b5m s ARG 15 CO 0.00 -0.05 0.49 0.42 0.02 0.00 0.00 175.30 176.18 3b5m s ILE 16 N -0.80 5.11 -0.03 1.52 1.01 -1.26 -1.41 121.20 125.34 3b5m s ILE 16 Ca 0.49 1.00 0.05 0.00 0.00 0.00 0.00 60.65 62.19 3b5m s ILE 16 Cb -0.36 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3b5m s ILE 16 CO 0.44 0.38 -0.16 0.21 0.00 0.00 0.00 174.94 175.81 3b5m s ASN 17 N 0.22 3.91 -0.11 3.58 2.47 0.14 -4.67 114.94 120.47 3b5m s ASN 17 Ca 0.27 -0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.30 3b5m s ASN 17 Cb -0.16 -0.76 0.02 0.00 -1.45 0.00 0.00 41.25 38.89 3b5m s ASN 17 CO 0.12 0.33 -0.15 -0.22 -3.72 0.00 0.00 177.10 173.46 3b5m s LEU 18 N -0.86 1.72 0.13 3.21 2.96 -1.26 -1.76 118.68 122.82 3b5m s LEU 18 Ca 0.12 -0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 53.45 3b5m s LEU 18 Cb -0.11 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.51 3b5m s LEU 18 CO 0.01 0.01 0.37 0.00 -1.32 0.00 0.00 176.35 175.42 3b5m s ALA 19 N 1.04 -0.74 0.60 5.97 0.00 -0.63 -4.75 121.76 123.26 3b5m s ALA 19 Ca -0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 3b5m s ALA 19 Cb -0.15 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3b5m s ALA 19 CO -0.03 -0.64 1.10 -2.14 0.00 0.00 0.00 175.76 174.05 3b5m s PRO 20 N -3.84 3.13 -0.06 0.00 0.02 -1.26 -0.22 135.00 132.78 3b5m s PRO 20 Ca 0.05 1.41 -0.18 0.00 0.02 0.00 0.00 61.00 62.30 3b5m s PRO 20 Cb 0.02 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3b5m s PRO 20 CO -0.10 -0.99 0.42 -1.17 -0.33 0.00 0.00 177.00 174.83 3b5m s LEU 21 N -4.39 0.41 -0.74 -5.54 2.96 -0.86 -4.77 118.68 105.75 3b5m s LEU 21 Ca 0.68 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.02 3b5m s LEU 21 Cb -0.20 1.59 0.26 0.00 0.50 0.00 0.00 46.19 48.34 3b5m s LEU 21 CO 0.35 -0.42 0.92 0.61 -1.32 0.00 0.00 176.35 176.49 3b5m n GLY 22 N 1.55 4.91 3.76 7.98 0.00 -1.26 -1.15 105.19 120.99 3b5m n GLY 22 Ca -0.19 -2.75 -0.37 0.00 0.00 0.00 0.00 46.02 42.70 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 -2.56 3.47 0.07 1.61 0.04 -1.22 -4.71 135.00 131.70 3b5m s PRO 23 Ca 0.38 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 3b5m s PRO 23 Cb 0.13 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3b5m s PRO 23 CO 0.02 -0.82 0.96 0.42 0.04 0.00 0.00 177.00 177.62 3b5m s ILE 24 N -1.51 4.62 -0.23 0.56 1.01 -0.44 -1.98 121.20 123.23 3b5m s ILE 24 Ca 0.68 2.05 -0.24 0.00 0.00 0.00 0.00 60.65 63.14 3b5m s ILE 24 Cb -0.31 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 3b5m s ILE 24 CO 0.37 0.27 0.82 -0.69 0.00 0.00 0.00 174.94 175.71 3b5m s VAL 25 N 0.31 4.85 0.22 2.92 1.01 0.02 -0.99 120.40 128.73 3b5m s VAL 25 Ca 0.48 1.56 0.05 0.00 0.00 0.00 0.00 61.98 64.07 3b5m s VAL 25 Cb -0.22 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3b5m s VAL 25 CO 0.29 -0.05 0.31 -0.76 0.00 0.00 0.00 175.10 174.89 3b5m s LEU 26 N 2.70 4.22 0.64 3.92 1.43 0.25 -4.74 118.68 127.10 3b5m s LEU 26 Ca 0.35 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 3b5m s LEU 26 Cb -0.15 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3b5m s LEU 26 CO 0.08 -0.04 0.90 -2.65 0.23 0.00 0.00 176.35 174.87 3b5m n PRO 27 N -1.17 0.71 -1.24 1.29 -0.02 -1.26 -2.68 135.00 130.63 3b5m n PRO 27 Ca -0.08 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 3b5m n PRO 27 Cb 0.56 -2.12 0.12 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.87 1.70 0.51 0.52 0.04 -1.26 -3.59 135.00 130.06 3b5m s PRO 28 Ca 0.75 0.96 0.30 0.00 0.04 0.00 0.00 61.00 63.05 3b5m s PRO 28 Cb -0.39 -1.85 1.18 0.00 0.04 0.00 0.00 34.50 33.47 3b5m s PRO 28 CO 0.49 -1.97 1.92 1.96 0.04 0.00 0.00 177.00 179.43 3b5m h GLN 29 N -1.36 0.00 -3.23 4.56 4.20 -1.91 -3.45 115.11 113.91 3b5m h GLN 29 Ca -0.47 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.11 3b5m h GLN 29 Cb 1.26 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.83 3b5m h GLN 29 CO 0.53 0.06 -0.38 -1.12 -0.67 0.00 0.00 178.83 177.26 3b5m s SER 30 N -5.87 -0.12 0.25 1.46 0.01 -1.26 -5.09 113.70 103.08 3b5m s SER 30 Ca 0.01 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 56.99 3b5m s SER 30 Cb 0.09 0.30 -0.13 0.00 0.21 0.00 0.00 66.02 66.49 3b5m s SER 30 CO 0.58 -0.37 1.44 -0.81 0.41 0.00 0.00 173.24 174.49 3b5m n PRO 31 N 1.58 2.15 -0.18 12.44 -0.04 -1.26 -1.07 135.00 148.62 3b5m n PRO 31 Ca -0.21 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3b5m n PRO 31 Cb 0.56 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 2.16 2.25 3.83 0.55 0.00 -1.26 -5.02 105.19 107.69 3b5m n GLY 32 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 1.65 0.55 -0.02 0.00 -0.23 -5.03 107.32 102.27 3b5m s GLY 33 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 3b5m s GLY 33 CO 0.00 -0.18 1.11 1.08 0.00 0.00 0.00 173.10 175.12 3b5m s LEU 34 N -6.04 3.72 0.74 0.66 1.43 -1.26 -4.74 118.68 113.18 3b5m s LEU 34 Ca 0.68 2.12 -0.14 0.00 -1.03 0.00 0.00 54.13 55.76 3b5m s LEU 34 Cb -0.10 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.59 3b5m s LEU 34 CO 0.53 -1.21 1.17 -2.16 0.23 0.00 0.00 176.35 174.92 3b5m s PRO 35 N -3.38 2.17 0.49 1.29 0.04 -1.26 -4.23 135.00 130.12 3b5m s PRO 35 Ca 0.71 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.47 3b5m s PRO 35 Cb -0.22 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.51 3b5m s PRO 35 CO 0.28 -1.78 0.68 -0.65 0.04 0.00 0.00 177.00 175.56 3b5m s GLN 36 N -4.07 2.58 0.01 4.56 -0.21 -1.09 -4.40 119.66 117.04 3b5m s GLN 36 Ca 0.71 -1.41 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3b5m s GLN 36 Cb -0.26 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.04 3b5m s GLN 36 CO 0.46 -0.56 -0.03 -0.06 -2.12 0.00 0.00 175.29 172.99 3b5m s PHE 37 N -2.51 0.26 -0.26 0.91 0.08 -0.42 -0.58 117.98 115.45 3b5m s PHE 37 Ca 0.58 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.32 3b5m s PHE 37 Cb -0.08 -0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.19 3b5m s PHE 37 CO 0.36 -0.07 0.06 -1.17 -0.10 0.00 0.00 175.22 174.29 3b5m s LEU 38 N -0.69 3.53 -0.19 -0.37 2.96 -0.16 -0.67 118.68 123.09 3b5m s LEU 38 Ca -0.06 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 3b5m s LEU 38 Cb -0.05 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 3b5m s LEU 38 CO -0.00 -0.10 0.13 -0.76 -1.32 0.00 0.00 176.35 174.29 3b5m s LEU 39 N 1.54 4.22 -0.53 -0.68 1.43 0.32 -1.33 118.68 123.65 3b5m s LEU 39 Ca 0.05 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 3b5m s LEU 39 Cb -0.16 -2.08 0.26 0.00 0.03 0.00 0.00 46.19 44.23 3b5m s LEU 39 CO 0.02 0.21 0.67 0.54 0.23 0.00 0.00 176.35 178.02 3b5m n ARG 40 N 3.32 1.83 -2.05 1.70 1.74 -1.26 -0.89 116.66 121.04 3b5m n ARG 40 Ca -0.17 -4.09 -0.34 0.00 -0.77 0.00 0.00 57.85 52.48 3b5m n ARG 40 Cb 0.52 -1.84 0.02 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.03 3.13 -0.05 5.56 0.04 -1.26 -4.93 135.00 135.46 3b5m s PRO 41 Ca 0.38 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 3b5m s PRO 41 Cb 0.17 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3b5m s PRO 41 CO -0.06 -1.01 0.86 -0.47 0.04 0.00 0.00 177.00 176.37 3b5m s TYR 42 N -2.04 3.60 0.20 0.56 5.04 -1.26 -4.52 117.35 118.94 3b5m s TYR 42 Ca 0.70 1.48 -0.33 0.00 -2.44 0.00 0.00 57.07 56.48 3b5m s TYR 42 Cb -0.22 -2.99 -0.13 0.00 0.35 0.00 0.00 41.96 38.96 3b5m s TYR 42 CO 0.33 -0.01 1.54 -1.91 -1.34 0.00 0.00 175.55 174.16 3b5m n GLU 43 N 4.05 2.20 0.00 4.97 4.07 -1.26 -1.46 120.64 133.21 3b5m n GLU 43 Ca 0.03 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 3b5m n GLU 43 Cb 0.51 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 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 2.96 2.12 3.80 8.31 0.00 -1.26 -5.04 105.19 116.07 3b5m n GLY 44 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.03 5.42 0.23 1.61 1.04 -0.53 -4.86 113.70 114.56 3b5m s SER 45 Ca 0.00 1.80 -0.07 0.00 0.48 0.00 0.00 55.95 58.16 3b5m s SER 45 Cb 0.00 -2.53 0.20 0.00 0.10 0.00 0.00 66.02 63.80 3b5m s SER 45 CO 0.00 -1.42 1.86 0.74 0.98 0.00 0.00 173.24 175.40 3b5m h THR 46 N -0.11 1.26 -0.46 2.02 2.02 -1.96 -0.41 112.91 115.27 3b5m h THR 46 Ca -0.46 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.15 3b5m h THR 46 Cb 1.22 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3b5m h THR 46 CO 0.56 0.28 0.19 0.74 0.37 0.00 0.00 175.52 177.67 3b5m h THR 47 N 1.24 0.89 -0.16 3.16 2.02 -1.92 0.04 112.91 118.19 3b5m h THR 47 Ca 0.31 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3b5m h THR 47 Cb 0.02 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3b5m h THR 47 CO -0.05 0.07 0.06 0.00 0.37 0.00 0.00 175.52 175.96 3b5m h ASP 49 N 0.09 0.44 0.16 0.00 3.32 -0.79 -0.40 116.42 119.24 3b5m h ASP 49 Ca 0.05 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 3b5m h ASP 49 Cb 0.20 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3b5m h ASP 49 CO -0.00 0.26 -0.62 0.78 -1.72 0.00 0.00 179.24 177.95 3b5m h ASN 50 N 0.58 0.51 -0.48 6.45 2.35 -0.80 -0.88 115.58 123.32 3b5m h ASN 50 Ca 0.32 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3b5m h ASN 50 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3b5m h ASN 50 CO -0.24 1.00 0.13 -0.07 -1.65 0.00 0.00 177.43 176.60 3b5m h LEU 51 N 0.33 0.72 -0.99 1.61 3.38 -0.63 0.04 115.31 119.76 3b5m h LEU 51 Ca -0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3b5m h LEU 51 Cb 1.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3b5m h LEU 51 CO 0.11 0.75 -0.37 -0.07 0.09 0.00 0.00 178.44 178.95 3b5m h LEU 52 N 0.65 0.00 0.12 1.67 3.38 -0.89 0.42 115.31 120.66 3b5m h LEU 52 Ca 0.15 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3b5m h LEU 52 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3b5m h LEU 52 CO -0.00 0.37 -0.84 0.00 0.09 0.00 0.00 178.44 178.06 3b5m h ALA 53 N 1.63 -0.02 0.00 1.53 0.00 -1.00 -3.41 119.26 117.98 3b5m h ALA 53 Ca -0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 3b5m h ALA 53 Cb 0.86 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3b5m h ALA 53 CO 0.05 0.42 -2.09 -1.13 0.00 0.00 0.00 179.25 176.50 3b5m n SER 54 N -4.16 0.74 0.00 0.00 3.41 -0.01 -5.00 113.62 108.60 3b5m n SER 54 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3b5m n SER 54 Cb 0.79 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 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 1.80 0.54 3.39 5.00 0.00 0.13 -4.98 105.19 111.07 3b5m n GLY 55 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.34 3.33 0.20 1.61 0.01 -1.26 -0.54 114.94 115.96 3b5m s ASN 56 Ca 0.00 -0.70 -0.23 0.00 -0.71 0.00 0.00 52.86 51.22 3b5m s ASN 56 Cb 0.00 -0.26 0.05 0.00 0.41 0.00 0.00 41.25 41.45 3b5m s ASN 56 CO 0.00 0.20 0.73 0.00 -1.51 0.00 0.00 177.10 176.52 3b5m s ALA 57 N -1.01 -1.44 -0.13 0.60 0.00 -1.01 -4.62 121.76 114.14 3b5m s ALA 57 Ca 0.14 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3b5m s ALA 57 Cb -0.10 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3b5m s ALA 57 CO 0.05 -0.93 -0.15 0.08 0.00 0.00 0.00 175.76 174.81 3b5m s VAL 58 N -3.72 1.57 -0.18 0.00 1.01 -0.42 -0.76 120.40 117.90 3b5m s VAL 58 Ca 0.08 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3b5m s VAL 58 Cb -0.03 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3b5m s VAL 58 CO -0.01 0.46 0.26 -0.63 0.00 0.00 0.00 175.10 175.17 3b5m s ILE 59 N 1.26 5.32 -0.07 2.22 1.01 -0.18 -1.34 121.20 129.42 3b5m s ILE 59 Ca -0.00 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.14 3b5m s ILE 59 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3b5m s ILE 59 CO -0.07 0.38 -0.20 -1.00 0.00 0.00 0.00 174.94 174.06 3b5m s HIS 60 N 0.57 2.59 -0.26 3.97 3.76 0.18 -0.68 115.29 125.42 3b5m s HIS 60 Ca 0.14 -0.55 -0.21 0.00 -0.15 0.00 0.00 55.06 54.29 3b5m s HIS 60 Cb -0.13 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 3b5m s HIS 60 CO 0.03 -0.11 0.65 0.08 -0.85 0.00 0.00 174.74 174.54 3b5m s VAL 61 N -0.21 4.97 0.06 -0.90 1.01 0.16 -2.69 120.40 122.81 3b5m s VAL 61 Ca -0.01 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3b5m s VAL 61 Cb -0.13 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3b5m s VAL 61 CO 0.03 0.00 -0.08 0.27 0.00 0.00 0.00 175.10 175.32 3b5m s ILE 62 N 2.54 0.67 -0.90 2.22 -0.00 -1.26 -0.95 121.20 123.51 3b5m s ILE 62 Ca 0.27 -1.38 0.17 0.00 -0.00 0.00 0.00 60.65 59.70 3b5m s ILE 62 Cb -0.15 -1.00 0.62 0.00 -0.00 0.00 0.00 42.46 41.92 3b5m s ILE 62 CO 0.09 -0.52 1.53 -0.90 -0.00 0.00 0.00 174.94 175.14 3b5m n ASP 63 N 0.96 4.32 -4.40 4.36 5.68 -1.26 -4.87 116.55 121.34 3b5m n ASP 63 Ca -0.19 -2.48 -0.45 0.00 -0.50 0.00 0.00 54.79 51.17 3b5m n ASP 63 Cb 0.56 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.11 6.94 0.35 -1.12 -1.08 -1.26 -4.85 116.67 114.55 3b5m s ASP 64 Ca 0.45 -2.81 0.08 0.00 -0.52 0.00 0.00 52.55 49.75 3b5m s ASP 64 Cb 0.30 -2.32 0.65 0.00 -1.46 0.00 0.00 42.92 40.09 3b5m s ASP 64 CO 0.20 -0.69 1.83 0.00 0.52 0.00 0.00 175.17 177.03 3b5m h ALA 65 N 7.63 1.35 -0.49 3.66 0.00 -1.91 -2.81 119.26 126.69 3b5m h ALA 65 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3b5m h ALA 65 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3b5m h ALA 65 CO 1.05 0.45 0.31 1.25 0.00 0.00 0.00 179.25 182.30 3b5m h LEU 66 N 0.23 0.52 -0.77 0.00 5.85 -1.89 -0.50 115.31 118.76 3b5m h LEU 66 Ca 0.04 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3b5m h LEU 66 Cb 0.54 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3b5m h LEU 66 CO 0.04 0.37 -0.44 0.25 -0.34 0.00 0.00 178.44 178.32 3b5m h LEU 67 N 0.63 0.42 -0.01 2.25 5.85 -1.91 0.16 115.31 122.70 3b5m h LEU 67 Ca 0.19 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3b5m h LEU 67 Cb -0.03 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3b5m h LEU 67 CO -0.06 0.81 -0.00 0.40 -0.34 0.00 0.00 178.44 179.24 3b5m h ILE 68 N 0.33 0.99 -0.41 4.05 2.04 -1.24 -1.57 117.51 121.70 3b5m h ILE 68 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3b5m h ILE 68 Cb 0.90 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3b5m h ILE 68 CO 0.08 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.38 3b5m h ALA 69 N 1.01 0.49 -0.69 1.87 0.00 -0.59 -0.40 119.26 120.94 3b5m h ALA 69 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3b5m h ALA 69 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3b5m h ALA 69 CO -0.01 -0.24 0.45 0.87 0.00 0.00 0.00 179.25 180.33 3b5m h LYS 70 N 0.32 0.92 0.00 0.00 1.57 -0.55 -2.31 116.57 116.52 3b5m h LYS 70 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3b5m h LYS 70 Cb 0.17 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3b5m h LYS 70 CO -0.19 0.62 -0.10 1.79 -0.57 0.00 0.00 179.45 181.00 3b5m h THR 71 N 0.94 0.00 -0.01 -0.16 1.35 -1.05 -1.85 112.91 112.14 3b5m h THR 71 Ca 0.25 -0.56 -0.19 0.00 -0.55 0.00 0.00 66.41 65.36 3b5m h THR 71 Cb -0.09 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3b5m h THR 71 CO -0.05 0.00 -0.84 0.00 -0.25 0.00 0.00 175.52 174.37 3b5m h ALA 72 N 2.44 0.55 0.00 6.62 0.00 -0.74 -3.36 119.26 124.77 3b5m h ALA 72 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 3b5m h ALA 72 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3b5m h ALA 72 CO 0.00 0.89 -1.73 0.44 0.00 0.00 0.00 179.25 178.85 3b5m n ILE 73 N -3.69 0.57 -3.53 0.00 -5.35 -0.90 -4.99 119.36 101.47 3b5m n ILE 73 Ca -0.04 -0.60 -0.02 0.00 -0.27 0.00 0.00 62.75 61.83 3b5m n ILE 73 Cb 0.78 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 3b5m n ILE 73 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b5m n GLY 74 N 1.34 1.17 3.74 3.28 0.00 -0.71 -5.10 105.19 108.91 3b5m n GLY 74 Ca -0.09 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 4.36 -0.14 1.61 1.02 -1.26 -4.21 119.74 119.10 3b5m s LYS 75 Ca 0.08 0.72 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 3b5m s LYS 75 Cb -0.01 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3b5m s LYS 75 CO 0.02 0.23 -0.12 0.08 -0.92 0.00 0.00 175.35 174.64 3b5m s VAL 76 N 0.29 3.06 -0.40 3.17 1.01 -1.26 -5.01 120.40 121.26 3b5m s VAL 76 Ca 0.32 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 3b5m s VAL 76 Cb -0.17 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3b5m s VAL 76 CO 0.16 0.52 1.58 -0.62 0.00 0.00 0.00 175.10 176.74 3b5m s ASP 77 N 0.44 6.11 0.00 3.32 -1.08 -1.26 -4.65 116.67 119.55 3b5m s ASP 77 Ca -0.09 0.97 0.23 0.00 -0.52 0.00 0.00 52.55 53.13 3b5m s ASP 77 Cb -0.16 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.17 3b5m s ASP 77 CO 0.05 -1.59 1.38 0.00 0.52 0.00 0.00 175.17 175.52 3b5m n ALA 78 N 9.58 2.41 -0.28 3.66 0.00 -1.26 -4.56 120.51 130.06 3b5m n ALA 78 Ca 0.19 -0.99 0.12 0.00 0.00 0.00 0.00 53.44 52.76 3b5m n ALA 78 Cb 0.48 -0.84 0.37 0.00 0.00 0.00 0.00 19.45 19.46 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 4.35 0.67 -0.16 0.00 0.02 -1.89 -0.20 113.55 116.34 3b5m h SER 79 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3b5m h SER 79 Cb 0.97 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3b5m h SER 79 CO 0.00 0.33 0.00 0.47 -1.14 0.00 0.00 176.83 176.49 3b5m n ASP 80 N -4.58 2.48 -0.46 3.07 8.00 -1.26 -4.12 116.55 119.68 3b5m n ASP 80 Ca 0.18 -1.82 0.12 0.00 0.71 0.00 0.00 54.79 53.98 3b5m n ASP 80 Cb 0.49 -0.09 0.16 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.89 1.75 -4.33 0.64 4.77 -0.09 -4.99 117.00 115.65 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 0.48 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3b5m n LEU 81 CO 0.15 0.32 -0.36 0.68 -1.33 0.00 0.00 177.39 176.85 3b5m s VAL 82 N -2.41 1.23 0.03 4.08 -7.23 -1.22 -0.82 120.40 114.07 3b5m s VAL 82 Ca 0.23 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3b5m s VAL 82 Cb 0.19 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3b5m s VAL 82 CO 0.52 -0.44 -0.09 0.68 -0.31 0.00 0.00 175.10 175.46 3b5m s VAL 83 N -3.29 0.71 0.45 1.32 -7.23 0.18 -4.81 120.40 107.74 3b5m s VAL 83 Ca 0.25 -0.87 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 3b5m s VAL 83 Cb 0.04 -0.69 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 3b5m s VAL 83 CO 0.07 -0.14 1.32 -2.84 -0.31 0.00 0.00 175.10 173.20 3b5m s PRO 84 N -1.12 3.70 -0.06 4.82 0.02 -1.26 -0.96 135.00 140.14 3b5m s PRO 84 Ca -0.03 2.17 -0.27 0.00 0.02 0.00 0.00 61.00 62.89 3b5m s PRO 84 Cb -0.07 -2.58 -0.03 0.00 0.02 0.00 0.00 34.50 31.84 3b5m s PRO 84 CO 0.01 -0.72 0.84 0.42 -0.33 0.00 0.00 177.00 177.22 3b5m s ILE 85 N -1.30 4.94 0.18 2.83 1.01 -0.69 -4.84 121.20 123.33 3b5m s ILE 85 Ca 0.62 1.74 -0.33 0.00 0.00 0.00 0.00 60.65 62.68 3b5m s ILE 85 Cb -0.38 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 37.77 3b5m s ILE 85 CO 0.48 0.17 1.43 -2.65 0.00 0.00 0.00 174.94 174.37 3b5m n PRO 86 N 4.14 1.84 0.00 2.79 -0.02 -1.26 -0.74 135.00 141.75 3b5m n PRO 86 Ca 0.03 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3b5m n PRO 86 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.64 2.30 1.67 -1.23 0.00 -1.26 -4.82 105.19 104.49 3b5m n GLY 87 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.83 0.22 0.99 4.77 0.08 -4.97 117.00 118.93 3b5m n LEU 88 Ca 0.00 -2.18 0.07 0.00 -0.03 0.00 0.00 56.01 53.87 3b5m n LEU 88 Cb 0.00 0.07 0.51 0.00 -2.33 0.00 0.00 43.42 41.67 3b5m n LEU 88 CO 0.00 0.70 0.84 -0.33 -1.33 0.00 0.00 177.39 177.28 3b5m h GLU 89 N 1.14 0.00 0.00 3.23 3.07 -1.68 -0.24 114.58 120.09 3b5m h GLU 89 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3b5m h GLU 89 Cb 1.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 3b5m h GLU 89 CO 0.07 0.24 -0.27 -0.25 -1.40 0.00 0.00 179.01 177.40 3b5m n ASP 90 N -3.95 0.31 0.00 1.42 8.00 -1.26 -4.38 116.55 116.70 3b5m n ASP 90 Ca -0.02 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3b5m n ASP 90 Cb 0.32 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3b5m n ASP 90 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3b5m n THR 91 N -1.58 0.00 -3.78 -3.53 -2.24 -0.50 -5.05 114.28 97.61 3b5m n THR 91 Ca 0.06 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 3b5m n THR 91 Cb 0.35 0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.39 -0.09 0.06 4.78 3.76 -0.22 -4.77 115.29 117.43 3b5m s HIS 92 Ca 0.00 0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.29 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 -0.11 -0.19 0.14 -0.85 0.00 0.00 174.74 173.73 3b5m s VAL 93 N 0.87 1.52 0.19 -0.90 -7.23 -1.26 -1.70 120.40 111.88 3b5m s VAL 93 Ca -0.07 -1.27 0.11 0.00 -1.81 0.00 0.00 61.98 58.94 3b5m s VAL 93 Cb -0.09 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 3b5m s VAL 93 CO -0.04 0.04 -0.23 0.00 -0.31 0.00 0.00 175.10 174.56 3b5m s ARG 94 N -1.44 1.48 0.34 4.82 1.70 -0.14 -4.71 118.95 121.00 3b5m s ARG 94 Ca 0.05 -1.51 -0.29 0.00 -0.47 0.00 0.00 55.73 53.52 3b5m s ARG 94 Cb -0.09 -1.77 -0.11 0.00 -0.57 0.00 0.00 34.95 32.40 3b5m s ARG 94 CO 0.02 0.38 1.53 -0.51 -1.08 0.00 0.00 175.30 175.65 3b5m s LEU 95 N -2.66 4.33 0.24 -1.89 1.43 -1.26 -0.65 118.68 118.22 3b5m s LEU 95 Ca 0.20 3.00 -0.07 0.00 -1.03 0.00 0.00 54.13 56.24 3b5m s LEU 95 Cb -0.08 -3.65 0.23 0.00 0.03 0.00 0.00 46.19 42.72 3b5m s LEU 95 CO 0.09 -0.89 1.88 0.11 0.23 0.00 0.00 176.35 177.78 3b5m h LYS 96 N 3.83 1.29 -4.75 1.70 1.57 -1.29 -3.38 116.57 115.53 3b5m h LYS 96 Ca -0.49 -0.13 -0.69 0.00 -1.87 0.00 0.00 60.65 57.48 3b5m h LYS 96 Cb 1.23 -0.27 -0.29 0.00 0.08 0.00 0.00 32.23 32.98 3b5m h LYS 96 CO 0.71 0.91 -0.65 1.03 -0.57 0.00 0.00 179.45 180.88 3b5m s ARG 97 N -5.93 2.70 0.18 3.15 1.81 -1.26 -4.92 118.95 114.67 3b5m s ARG 97 Ca -0.13 -1.11 -0.24 0.00 -1.72 0.00 0.00 55.73 52.53 3b5m s ARG 97 Cb 0.17 -3.32 0.05 0.00 -0.45 0.00 0.00 34.95 31.41 3b5m s ARG 97 CO 0.83 -0.58 0.84 0.00 -0.68 0.00 0.00 175.30 175.71 3b5m h HIS 99 N 2.00 0.14 -3.23 0.00 2.76 -1.21 0.32 115.15 115.92 3b5m h HIS 99 Ca -0.23 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 57.71 3b5m h HIS 99 Cb 1.25 -0.01 -0.20 0.00 1.55 0.00 0.00 27.41 30.00 3b5m h HIS 99 CO 0.37 1.25 -0.37 0.50 -1.30 0.00 0.00 177.93 178.38 3b5m s ARG 100 N -2.32 0.59 0.04 5.26 3.52 -1.04 -0.81 118.95 124.18 3b5m s ARG 100 Ca -0.21 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3b5m s ARG 100 Cb 0.01 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 3b5m s ARG 100 CO 0.69 -0.15 -0.11 1.67 -0.81 0.00 0.00 175.30 176.60 3b5m s TRP 101 N -1.33 0.92 -0.20 5.12 1.48 -0.41 -0.66 118.94 123.87 3b5m s TRP 101 Ca -0.14 -0.40 -0.00 0.00 -1.06 0.00 0.00 56.10 54.50 3b5m s TRP 101 Cb -0.06 -0.54 0.05 0.00 -1.16 0.00 0.00 33.47 31.75 3b5m s TRP 101 CO 0.03 -0.01 -0.05 -0.06 -4.06 0.00 0.00 176.95 172.80 3b5m s PHE 102 N -1.05 2.01 -0.37 1.66 0.08 0.14 -1.57 117.98 118.88 3b5m s PHE 102 Ca -0.03 -1.39 -0.22 0.00 0.12 0.00 0.00 56.93 55.41 3b5m s PHE 102 Cb -0.08 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3b5m s PHE 102 CO 0.01 -0.69 0.75 0.00 -0.10 0.00 0.00 175.22 175.18 3b5m s ALA 103 N 1.53 3.42 0.26 5.36 0.00 0.10 -1.01 121.76 131.42 3b5m s ALA 103 Ca -0.02 -0.75 0.11 0.00 0.00 0.00 0.00 51.96 51.30 3b5m s ALA 103 Cb -0.17 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3b5m s ALA 103 CO -0.07 -1.50 -0.12 0.14 0.00 0.00 0.00 175.76 174.21 3b5m s VAL 104 N 3.02 2.88 -0.01 0.00 -7.23 0.06 -0.01 120.40 119.11 3b5m s VAL 104 Ca 0.29 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 3b5m s VAL 104 Cb -0.13 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.31 3b5m s VAL 104 CO 0.17 -0.33 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.00 3b5m s ARG 105 N -3.41 0.28 0.17 4.82 3.52 -0.34 -2.41 118.95 121.58 3b5m s ARG 105 Ca 0.29 -0.06 -0.32 0.00 -0.13 0.00 0.00 55.73 55.51 3b5m s ARG 105 Cb -0.06 -0.32 -0.10 0.00 -1.56 0.00 0.00 34.95 32.90 3b5m s ARG 105 CO 0.16 0.01 1.61 0.08 -0.81 0.00 0.00 175.30 176.35 3b5m s VAL 106 N 0.24 2.50 -0.03 7.11 1.01 0.30 -1.49 120.40 130.05 3b5m s VAL 106 Ca -0.02 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.38 3b5m s VAL 106 Cb -0.05 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 3b5m s VAL 106 CO -0.01 0.03 0.13 0.35 0.00 0.00 0.00 175.10 175.60 3b5m n THR 107 N 4.01 0.17 -3.77 3.92 -2.24 0.80 -4.92 114.28 112.25 3b5m n THR 107 Ca 0.14 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 3b5m n THR 107 Cb 0.38 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.43 0.70 0.00 -0.78 -0.21 -1.13 -4.98 119.66 110.83 3b5m s GLN 108 Ca -0.03 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.03 3b5m s GLN 108 Cb 0.04 0.30 -0.01 0.00 1.00 0.00 0.00 33.01 34.35 3b5m s GLN 108 CO 0.33 -0.20 -0.03 -0.98 -2.12 0.00 0.00 175.29 172.28 3b5m s ARG 109 N -1.76 0.25 0.14 2.91 3.03 -1.26 -0.82 118.95 121.44 3b5m s ARG 109 Ca -0.11 -0.21 -0.05 0.00 2.03 0.00 0.00 55.73 57.39 3b5m s ARG 109 Cb -0.04 -0.18 0.02 0.00 -1.03 0.00 0.00 34.95 33.72 3b5m s ARG 109 CO 0.01 0.04 0.28 0.00 -1.13 0.00 0.00 175.30 174.51 3b5m n ALA 110 N 2.72 -0.61 0.00 7.88 0.00 -0.12 -5.02 120.51 125.37 3b5m n ALA 110 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3b5m n ALA 110 Cb 0.58 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.19 3.38 3.63 0.00 0.00 -1.26 -1.25 105.19 109.50 3b5m n GLY 111 Ca -0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.09 4.98 0.18 2.61 2.01 -1.24 -4.85 115.64 118.23 3b5m s THR 112 Ca 0.00 1.18 -0.33 0.00 0.31 0.00 0.00 61.69 62.85 3b5m s THR 112 Cb 0.00 -3.95 -0.15 0.00 0.01 0.00 0.00 72.50 68.41 3b5m s THR 112 CO 0.00 0.04 1.20 -2.65 -0.69 0.00 0.00 174.62 172.51 3b5m n PRO 113 N 5.60 1.28 -0.33 4.92 -0.02 -1.26 -0.45 135.00 144.74 3b5m n PRO 113 Ca -0.00 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3b5m n PRO 113 Cb 0.49 -1.98 0.21 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.80 2.45 -2.81 0.52 -0.04 -1.26 -5.11 135.00 130.55 3b5m n PRO 114 Ca 0.15 -1.72 -0.34 0.00 -0.04 0.00 0.00 63.50 61.54 3b5m n PRO 114 Cb 0.25 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 3b5m n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3b5m s ARG 115 N -1.60 4.34 -0.03 0.54 0.52 0.41 -4.42 118.95 118.70 3b5m s ARG 115 Ca 0.31 1.18 0.03 0.00 -0.52 0.00 0.00 55.73 56.74 3b5m s ARG 115 Cb 0.19 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 33.29 3b5m s ARG 115 CO 0.17 0.07 -0.13 -1.01 0.02 0.00 0.00 175.30 174.42 3b5m s HIS 116 N -2.01 1.30 -0.25 -0.53 3.76 -1.26 -3.74 115.29 112.56 3b5m s HIS 116 Ca 0.58 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.14 3b5m s HIS 116 Cb -0.12 -0.89 0.08 0.00 1.11 0.00 0.00 32.58 32.76 3b5m s HIS 116 CO 0.16 -0.12 0.05 -1.21 -0.85 0.00 0.00 174.74 172.77 3b5m s GLU 117 N 0.08 0.85 -0.23 1.40 2.02 -0.38 -4.26 118.70 118.18 3b5m s GLU 117 Ca -0.03 -0.82 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 3b5m s GLU 117 Cb -0.09 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 3b5m s GLU 117 CO 0.01 -0.79 -0.03 -0.51 0.02 0.00 0.00 175.26 173.96 3b5m s LEU 118 N 1.67 3.03 0.11 1.80 1.43 -0.07 -0.94 118.68 125.71 3b5m s LEU 118 Ca 0.03 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 3b5m s LEU 118 Cb -0.17 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 3b5m s LEU 118 CO -0.15 -0.05 0.74 -0.89 0.23 0.00 0.00 176.35 176.22 3b5m s THR 119 N 1.46 4.54 0.02 5.49 2.01 0.00 -0.52 115.64 128.64 3b5m s THR 119 Ca 0.05 1.60 0.03 0.00 0.31 0.00 0.00 61.69 63.68 3b5m s THR 119 Cb -0.15 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3b5m s THR 119 CO -0.03 0.48 -0.09 0.00 -0.69 0.00 0.00 174.62 174.30 3b5m s ALA 120 N -0.81 0.69 0.17 7.40 0.00 0.16 -0.14 121.76 129.23 3b5m s ALA 120 Ca 0.35 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.85 3b5m s ALA 120 Cb -0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3b5m s ALA 120 CO 0.24 0.10 -0.19 -0.98 0.00 0.00 0.00 175.76 174.93 3b5m s ARG 121 N -0.87 1.70 0.02 0.00 1.70 -0.56 -1.30 118.95 119.65 3b5m s ARG 121 Ca -0.02 -1.39 -0.30 0.00 -0.47 0.00 0.00 55.73 53.55 3b5m s ARG 121 Cb -0.06 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 3b5m s ARG 121 CO 0.00 0.43 1.07 0.00 -1.08 0.00 0.00 175.30 175.72 3b5m h LEU 123 N 6.88 0.00 -7.03 0.00 3.38 -0.77 -3.48 115.31 114.28 3b5m h LEU 123 Ca -0.41 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.61 3b5m h LEU 123 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 3b5m h LEU 123 CO 0.78 0.76 0.36 0.00 0.09 0.00 0.00 178.44 180.43 3b5m s ALA 124 N -2.79 -1.70 0.12 1.53 0.00 -1.17 -5.02 121.76 112.73 3b5m s ALA 124 Ca -0.02 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 3b5m s ALA 124 Cb 0.08 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.88 3b5m s ALA 124 CO 0.81 -0.74 0.36 0.45 0.00 0.00 0.00 175.76 176.64 3b5m s SER 125 N -2.62 -0.14 0.06 0.00 0.15 -1.26 -0.72 113.70 109.16 3b5m s SER 125 Ca 0.03 -0.43 -0.27 0.00 0.70 0.00 0.00 55.95 55.98 3b5m s SER 125 Cb -0.01 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 3b5m s SER 125 CO -0.10 -0.84 0.69 -0.83 1.20 0.00 0.00 173.24 173.35 3b5m s GLY 126 N -2.83 -0.57 -0.09 9.45 0.00 -0.61 -4.99 107.32 107.69 3b5m s GLY 126 Ca 0.05 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 3b5m s GLY 126 CO -0.10 0.47 0.07 1.08 0.00 0.00 0.00 173.10 174.62 3b5m s LEU 127 N -2.16 3.97 0.00 0.66 1.43 -1.26 -1.28 118.68 120.04 3b5m s LEU 127 Ca -0.02 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3b5m s LEU 127 Cb -0.01 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3b5m s LEU 127 CO -0.05 0.38 0.00 0.52 0.23 0.00 0.00 176.35 177.43 3b5m n VAL 128 N 1.96 0.00 -3.49 -1.59 0.31 0.01 -4.99 118.33 110.54 3b5m n VAL 128 Ca -0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.87 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 6.41 0.71 4.52 1.01 0.10 -4.99 116.67 125.43 3b5m s ASP 129 Ca 0.00 0.56 -0.16 0.00 0.71 0.00 0.00 52.55 53.67 3b5m s ASP 129 Cb 0.00 -2.08 0.03 0.00 1.01 0.00 0.00 42.92 41.88 3b5m s ASP 129 CO 0.00 -0.14 1.22 -2.84 0.21 0.00 0.00 175.17 173.62 3b5m s PRO 130 N -3.51 2.23 -0.05 8.23 0.02 -1.26 -4.17 135.00 136.49 3b5m s PRO 130 Ca 0.41 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 63.04 3b5m s PRO 130 Cb -0.11 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 3b5m s PRO 130 CO 0.30 -1.78 0.55 0.12 -0.33 0.00 0.00 177.00 175.87 3b5m s PHE 131 N -1.88 3.62 0.15 6.54 5.36 -1.26 -4.80 117.98 125.71 3b5m s PHE 131 Ca 0.76 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 57.64 3b5m s PHE 131 Cb -0.30 -2.59 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 3b5m s PHE 131 CO 0.44 0.28 1.69 0.35 -1.46 0.00 0.00 175.22 176.52 3b5m h PHE 132 N 6.05 -0.11 0.00 10.12 3.57 -1.94 -3.48 116.94 131.14 3b5m h PHE 132 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3b5m h PHE 132 Cb 1.19 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3b5m h PHE 132 CO 0.65 -0.11 0.00 0.41 -2.23 0.00 0.00 178.31 177.03 3b5m n GLY 133 N -1.25 0.77 3.73 2.40 0.00 -1.26 -5.04 105.19 104.54 3b5m n GLY 133 Ca 0.00 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 3b5m n GLY 133 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3b5m n PHE 134 N -0.31 2.77 -3.67 1.61 3.72 -1.26 -4.99 117.46 115.33 3b5m n PHE 134 Ca 0.00 0.13 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 3b5m n PHE 134 Cb 0.00 -2.64 -0.13 0.00 -0.94 0.00 0.00 39.48 35.77 3b5m n PHE 134 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3b5m s ASN 135 N 0.89 0.32 0.36 4.37 3.84 -1.26 -5.05 114.94 118.41 3b5m s ASN 135 Ca 0.71 0.57 0.10 0.00 0.21 0.00 0.00 52.86 54.45 3b5m s ASN 135 Cb -0.51 0.65 0.68 0.00 -0.55 0.00 0.00 41.25 41.52 3b5m s ASN 135 CO 0.39 -0.23 1.82 0.03 -2.79 0.00 0.00 177.10 176.32 3b5m h ARG 136 N 8.19 0.13 -0.29 0.43 3.08 -1.91 -1.64 114.38 122.38 3b5m h ARG 136 Ca -0.16 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3b5m h ARG 136 Cb 1.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3b5m h ARG 136 CO 0.16 0.43 0.07 0.00 -1.07 0.00 0.00 179.97 179.56 3b5m h ALA 137 N 1.57 0.38 -0.85 0.04 0.00 -1.83 -1.17 119.26 117.40 3b5m h ALA 137 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3b5m h ALA 137 Cb 0.61 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3b5m h ALA 137 CO 0.04 0.04 0.46 0.87 0.00 0.00 0.00 179.25 180.67 3b5m h LYS 138 N 0.30 1.19 -0.60 0.00 1.57 -1.81 -0.44 116.57 116.79 3b5m h LYS 138 Ca 0.09 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3b5m h LYS 138 Cb 0.29 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3b5m h LYS 138 CO 0.00 0.88 0.27 0.45 -0.57 0.00 0.00 179.45 180.48 3b5m h HIS 139 N 1.19 0.89 -0.18 -1.35 3.86 -1.14 -1.96 115.15 116.47 3b5m h HIS 139 Ca 0.30 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.33 3b5m h HIS 139 Cb 0.04 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3b5m h HIS 139 CO 0.01 0.69 -0.44 0.00 0.86 0.00 0.00 177.93 179.05 3b5m h ALA 140 N 1.11 0.92 -0.64 2.45 0.00 -0.80 -2.14 119.26 120.17 3b5m h ALA 140 Ca 0.20 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3b5m h ALA 140 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3b5m h ALA 140 CO -0.02 0.64 0.39 0.28 0.00 0.00 0.00 179.25 180.53 3b5m h VAL 141 N 0.35 1.06 -0.48 0.00 2.07 -0.72 -0.64 116.25 117.89 3b5m h VAL 141 Ca 0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3b5m h VAL 141 Cb 0.91 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3b5m h VAL 141 CO 0.08 0.14 0.28 0.40 0.02 0.00 0.00 177.57 178.49 3b5m h ILE 142 N 0.75 1.15 -0.76 4.57 2.04 -1.08 0.82 117.51 125.01 3b5m h ILE 142 Ca 0.26 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3b5m h ILE 142 Cb 0.04 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3b5m h ILE 142 CO -0.11 0.15 0.40 -0.33 0.00 0.00 0.00 178.15 178.26 3b5m h GLU 143 N 0.64 1.08 -0.48 2.37 4.39 -1.06 -0.69 114.58 120.82 3b5m h GLU 143 Ca 0.17 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3b5m h GLU 143 Cb 0.00 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3b5m h GLU 143 CO -0.03 0.81 0.04 0.00 -1.16 0.00 0.00 179.01 178.67 3b5m h ALA 144 N 1.21 0.64 -0.69 3.43 0.00 -0.79 -1.55 119.26 121.51 3b5m h ALA 144 Ca 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3b5m h ALA 144 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3b5m h ALA 144 CO -0.04 0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.83 3b5m h ALA 145 N 0.94 0.90 -0.36 0.00 0.00 -0.52 -1.09 119.26 119.14 3b5m h ALA 145 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3b5m h ALA 145 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3b5m h ALA 145 CO 0.02 0.58 0.17 0.28 0.00 0.00 0.00 179.25 180.30 3b5m h VAL 146 N 1.01 1.17 -0.89 0.00 2.07 -1.05 -2.71 116.25 115.85 3b5m h VAL 146 Ca 0.22 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3b5m h VAL 146 Cb 0.30 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3b5m h VAL 146 CO -0.01 0.18 0.55 0.00 0.02 0.00 0.00 177.57 178.31 3b5m h ALA 147 N 1.02 1.29 0.00 1.67 0.00 -0.97 -2.50 119.26 119.78 3b5m h ALA 147 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3b5m h ALA 147 Cb 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3b5m h ALA 147 CO -0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3b5m n ALA 148 N -2.40 2.21 -0.38 0.00 0.00 -0.44 -3.64 120.51 115.87 3b5m n ALA 148 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.51 3b5m n ALA 148 Cb 0.05 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.92 1.03 -1.68 0.00 -2.24 -0.97 -4.85 114.28 103.65 3b5m n THR 149 Ca 0.06 -1.10 -0.40 0.00 -2.27 0.00 0.00 64.05 60.34 3b5m n THR 149 Cb 0.36 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3b5m n THR 149 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3b5m n ARG 150 N -0.61 1.54 -0.27 -0.78 5.12 -1.00 -4.92 116.66 115.73 3b5m n ARG 150 Ca 0.03 0.56 -0.02 0.00 -1.93 0.00 0.00 57.85 56.50 3b5m n ARG 150 Cb 0.37 -2.34 0.10 0.00 -1.16 0.00 0.00 32.46 29.43 3b5m n ARG 150 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3b5m h LEU 151 N 1.44 0.75 -8.62 0.55 5.85 -1.95 -3.39 115.31 109.95 3b5m h LEU 151 Ca -0.48 0.01 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 3b5m h LEU 151 Cb 1.32 -0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.96 3b5m h LEU 151 CO 0.56 0.50 -0.67 -1.00 -0.34 0.00 0.00 178.44 177.49 3b5m s HIS 152 N -6.09 3.02 0.30 1.25 3.76 -1.26 -5.07 115.29 111.20 3b5m s HIS 152 Ca -0.13 -0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 3b5m s HIS 152 Cb 0.17 -2.11 -0.11 0.00 1.11 0.00 0.00 32.58 31.64 3b5m s HIS 152 CO 0.78 -0.33 1.56 -0.51 -0.85 0.00 0.00 174.74 175.39 3b5m s LEU 153 N 1.19 4.35 0.69 0.89 2.01 -1.26 -5.00 118.68 121.54 3b5m s LEU 153 Ca 0.03 2.93 -0.11 0.00 0.01 0.00 0.00 54.13 56.99 3b5m s LEU 153 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.42 3b5m s LEU 153 CO 0.01 -0.88 1.06 -0.76 1.01 0.00 0.00 176.35 176.78 3b5m s LEU 154 N -0.70 3.14 0.39 1.79 1.43 -1.26 -5.00 118.68 118.47 3b5m s LEU 154 Ca 0.61 1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 3b5m s LEU 154 Cb -0.47 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.15 3b5m s LEU 154 CO 0.49 -1.37 1.42 -2.65 0.23 0.00 0.00 176.35 174.47 3b5m n PRO 155 N -3.08 2.41 -0.34 1.29 -0.02 -1.26 -4.75 135.00 129.25 3b5m n PRO 155 Ca 0.07 0.85 0.20 0.00 -2.02 0.00 0.00 63.50 62.60 3b5m n PRO 155 Cb 0.54 -2.57 0.44 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.64 0.47 -0.05 0.52 0.11 -2.00 0.18 132.00 133.88 3b5m h PRO 156 Ca -0.50 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 3b5m h PRO 156 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3b5m h PRO 156 CO 0.63 0.31 -0.49 0.93 -0.21 0.00 0.00 178.00 179.17 3b5m h GLU 157 N 0.49 0.12 -0.10 1.05 3.07 -1.99 -1.47 114.58 115.75 3b5m h GLU 157 Ca 0.64 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.28 3b5m h GLU 157 Cb 1.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.31 3b5m h GLU 157 CO -0.43 0.59 -0.56 1.49 -1.40 0.00 0.00 179.01 178.71 3b5m h GLU 158 N 0.10 0.56 -0.77 2.33 4.81 -1.02 -1.18 114.58 119.40 3b5m h GLU 158 Ca 0.00 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3b5m h GLU 158 Cb 0.91 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3b5m h GLU 158 CO 0.07 1.09 0.29 -0.84 -0.73 0.00 0.00 179.01 178.89 3b5m h ILE 159 N 0.18 1.26 -0.63 2.32 -0.00 -1.32 -2.57 117.51 116.75 3b5m h ILE 159 Ca -0.04 -0.85 -0.03 0.00 -0.00 0.00 0.00 64.86 63.94 3b5m h ILE 159 Cb 1.20 0.37 -0.03 0.00 -0.00 0.00 0.00 36.82 38.36 3b5m h ILE 159 CO 0.11 0.34 0.27 -0.33 -0.00 0.00 0.00 178.15 178.55 3b5m h GLU 160 N 1.13 0.91 -0.68 0.16 4.39 -1.18 -1.10 114.58 118.21 3b5m h GLU 160 Ca 0.25 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.87 3b5m h GLU 160 Cb 0.25 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 3b5m h GLU 160 CO -0.02 0.73 0.40 1.49 -1.16 0.00 0.00 179.01 180.45 3b5m h GLU 161 N 0.90 0.72 -0.51 2.33 4.57 -0.94 0.13 114.58 121.78 3b5m h GLU 161 Ca 0.21 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 3b5m h GLU 161 Cb 0.15 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3b5m h GLU 161 CO -0.02 0.48 -0.01 0.93 -1.18 0.00 0.00 179.01 179.21 3b5m h GLU 162 N 0.74 0.87 -0.20 1.92 4.39 -1.01 -1.04 114.58 120.25 3b5m h GLU 162 Ca 0.30 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3b5m h GLU 162 Cb 0.14 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3b5m h GLU 162 CO -0.16 0.87 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.11 3b5m h LEU 163 N 0.80 0.48 -0.24 1.33 3.38 -0.65 -1.78 115.31 118.63 3b5m h LEU 163 Ca 0.15 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 3b5m h LEU 163 Cb 0.49 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3b5m h LEU 163 CO 0.02 0.82 -0.73 -0.08 0.09 0.00 0.00 178.44 178.56 3b5m h GLU 164 N 0.38 0.72 -0.87 1.13 4.57 -0.55 0.19 114.58 120.16 3b5m h GLU 164 Ca 0.04 -0.56 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3b5m h GLU 164 Cb 0.84 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.50 3b5m h GLU 164 CO 0.07 1.18 0.58 0.00 -1.18 0.00 0.00 179.01 179.66 3b5m h ARG 165 N 0.50 1.14 -0.45 1.92 3.08 -1.12 -1.75 114.38 117.71 3b5m h ARG 165 Ca -0.04 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3b5m h ARG 165 Cb 1.34 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 3b5m h ARG 165 CO 0.15 0.75 0.13 0.00 -1.07 0.00 0.00 179.97 179.93 3b5m h ALA 166 N 1.32 0.59 -0.51 0.04 0.00 -1.08 -1.60 119.26 118.02 3b5m h ALA 166 Ca 0.32 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3b5m h ALA 166 Cb -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3b5m h ALA 166 CO -0.08 0.25 0.14 -0.09 0.00 0.00 0.00 179.25 179.47 3b5m h ARG 167 N 0.59 0.28 -0.34 0.00 2.43 -0.37 0.39 114.38 117.36 3b5m h ARG 167 Ca 0.14 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3b5m h ARG 167 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3b5m h ARG 167 CO -0.00 0.19 -0.01 0.82 -1.51 0.00 0.00 179.97 179.45 3b5m h ILE 168 N 0.29 1.26 -0.52 1.20 2.04 -1.25 -0.93 117.51 119.60 3b5m h ILE 168 Ca 0.25 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3b5m h ILE 168 Cb 0.32 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3b5m h ILE 168 CO -0.30 0.33 0.13 0.00 0.00 0.00 0.00 178.15 178.30 3b5m h ALA 169 N 0.85 1.25 -0.40 1.87 0.00 -0.84 -1.36 119.26 120.62 3b5m h ALA 169 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3b5m h ALA 169 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3b5m h ALA 169 CO 0.02 0.52 -0.07 0.82 0.00 0.00 0.00 179.25 180.55 3b5m h ILE 170 N 0.77 1.27 -0.67 0.00 2.04 -0.73 -0.08 117.51 120.11 3b5m h ILE 170 Ca 0.17 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 3b5m h ILE 170 Cb 0.28 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3b5m h ILE 170 CO -0.00 0.38 0.23 -0.33 0.00 0.00 0.00 178.15 178.43 3b5m h GLU 171 N 0.56 1.01 0.07 2.37 3.07 -0.84 -0.71 114.58 120.12 3b5m h GLU 171 Ca 0.10 -0.19 -0.25 0.00 -0.50 0.00 0.00 59.36 58.52 3b5m h GLU 171 Cb 0.58 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3b5m h GLU 171 CO 0.03 0.85 -1.11 0.87 -1.40 0.00 0.00 179.01 178.26 3b5m h LYS 172 N 0.98 0.31 0.00 2.33 1.57 -1.07 -3.41 116.57 117.27 3b5m h LYS 172 Ca 0.22 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3b5m h LYS 172 Cb 0.25 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3b5m h LYS 172 CO -0.01 1.16 0.00 0.25 -0.57 0.00 0.00 179.45 180.27 3b5m n THR 173 N -3.62 0.00 -3.68 -0.16 -2.24 -0.06 -5.10 114.28 99.42 3b5m n THR 173 Ca -0.07 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3b5m n THR 173 Cb 0.94 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.60 3b5m n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b5m n GLY 174 N 0.11 2.84 1.30 3.38 0.00 -0.28 -4.66 105.19 107.89 3b5m n GLY 174 Ca 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 3b5m n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b5m n GLY 175 N 1.36 3.85 0.29 -0.02 0.00 -1.26 -4.90 105.19 104.51 3b5m n GLY 175 Ca -0.01 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.95 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 0.66 -0.93 1.61 4.57 -1.99 -1.55 114.58 116.96 3b5m h GLU 176 Ca -0.13 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3b5m h GLU 176 Cb 0.46 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 3b5m h GLU 176 CO 0.22 0.43 0.59 -1.35 -1.18 0.00 0.00 179.01 177.72 3b5m h PRO 177 N 0.68 1.06 -0.39 0.92 0.11 -1.99 0.12 132.00 132.51 3b5m h PRO 177 Ca 0.39 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 3b5m h PRO 177 Cb 0.41 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3b5m h PRO 177 CO -0.28 0.70 -0.36 0.93 -0.21 0.00 0.00 178.00 178.78 3b5m h GLU 178 N 1.09 0.94 -0.44 1.05 3.07 -1.84 -0.52 114.58 117.93 3b5m h GLU 178 Ca 0.39 -0.48 0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3b5m h GLU 178 Cb 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3b5m h GLU 178 CO -0.16 1.14 0.21 0.00 -1.40 0.00 0.00 179.01 178.80 3b5m h ARG 179 N 0.76 0.40 -0.66 2.33 3.08 -0.82 -1.74 114.38 117.72 3b5m h ARG 179 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3b5m h ARG 179 Cb 0.96 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 3b5m h ARG 179 CO 0.09 0.26 0.35 1.49 -1.07 0.00 0.00 179.97 181.10 3b5m h GLU 180 N 0.41 0.93 -0.46 0.04 4.81 -0.61 -2.26 114.58 117.45 3b5m h GLU 180 Ca 0.20 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3b5m h GLU 180 Cb 0.13 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3b5m h GLU 180 CO -0.16 0.71 0.24 0.00 -0.73 0.00 0.00 179.01 179.08 3b5m h ALA 181 N 1.17 0.58 -0.61 2.92 0.00 -0.76 -1.13 119.26 121.43 3b5m h ALA 181 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3b5m h ALA 181 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3b5m h ALA 181 CO -0.04 -0.10 0.21 1.25 0.00 0.00 0.00 179.25 180.57 3b5m h LEU 182 N 0.48 0.84 -0.66 0.00 5.85 -1.13 -0.70 115.31 119.99 3b5m h LEU 182 Ca 0.20 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3b5m h LEU 182 Cb 0.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3b5m h LEU 182 CO -0.13 0.78 0.42 1.56 -0.34 0.00 0.00 178.44 180.73 3b5m h GLN 183 N 0.88 0.80 -0.27 1.25 4.20 -0.88 0.40 115.11 121.49 3b5m h GLN 183 Ca 0.20 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3b5m h GLN 183 Cb 0.23 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3b5m h GLN 183 CO -0.01 0.53 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.22 3b5m h LEU 184 N 0.83 0.67 -0.20 1.46 3.38 -0.73 -2.15 115.31 118.57 3b5m h LEU 184 Ca 0.26 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3b5m h LEU 184 Cb -0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3b5m h LEU 184 CO -0.09 0.99 -0.15 0.40 0.09 0.00 0.00 178.44 179.67 3b5m h ILE 185 N 0.53 1.32 -0.75 1.22 2.04 -0.79 -2.09 117.51 118.98 3b5m h ILE 185 Ca 0.05 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 64.73 3b5m h ILE 185 Cb 0.90 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.63 3b5m h ILE 185 CO 0.08 0.39 0.40 0.03 0.00 0.00 0.00 178.15 179.04 3b5m h ARG 186 N 0.13 0.65 -0.37 2.37 3.08 -0.86 -1.29 114.38 118.09 3b5m h ARG 186 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3b5m h ARG 186 Cb 0.67 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3b5m h ARG 186 CO 0.04 0.43 0.20 -0.09 -1.07 0.00 0.00 179.97 179.49 3b5m h ARG 187 N 0.67 0.51 -0.85 0.04 2.43 -1.22 -2.08 114.38 113.89 3b5m h ARG 187 Ca 0.37 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3b5m h ARG 187 Cb 0.37 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3b5m h ARG 187 CO -0.26 0.41 0.54 1.25 -1.51 0.00 0.00 179.97 180.40 3b5m h HIS 188 N 0.47 1.02 -0.47 2.20 2.76 -0.73 -2.01 115.15 118.38 3b5m h HIS 188 Ca 0.13 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3b5m h HIS 188 Cb 0.05 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3b5m h HIS 188 CO -0.03 0.58 0.12 0.28 -1.30 0.00 0.00 177.93 177.59 3b5m h VAL 189 N 1.05 1.23 -0.99 5.26 2.07 -1.02 -2.93 116.25 120.92 3b5m h VAL 189 Ca 0.34 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3b5m h VAL 189 Cb 0.01 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3b5m h VAL 189 CO -0.12 0.29 0.65 0.03 0.02 0.00 0.00 177.57 178.44 3b5m h ARG 190 N 0.63 1.25 0.00 1.57 3.08 -1.08 -3.52 114.38 116.31 3b5m h ARG 190 Ca 0.15 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3b5m h ARG 190 Cb 0.31 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3b5m h ARG 190 CO -0.00 0.83 0.00 0.39 -1.07 0.00 0.00 179.97 180.12