#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 3.59 -0.12 -3.43 2.96 -1.26 -5.01 118.68 115.40 3b5m s LEU 1 Ca 0.00 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3b5m s LEU 1 Cb 0.00 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 3b5m s LEU 1 CO 0.00 -1.45 -0.15 -0.63 -1.32 0.00 0.00 176.35 172.80 3b5m s ILE 2 N 4.78 2.88 -0.15 6.68 1.01 -1.26 -0.93 121.20 134.21 3b5m s ILE 2 Ca 0.39 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3b5m s ILE 2 Cb -0.09 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3b5m s ILE 2 CO 0.23 0.53 0.46 -0.22 0.00 0.00 0.00 174.94 175.94 3b5m s LEU 3 N 0.35 4.23 -0.65 2.97 2.96 -0.62 -4.99 118.68 122.93 3b5m s LEU 3 Ca -0.12 0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 54.26 3b5m s LEU 3 Cb -0.16 -2.65 0.04 0.00 0.50 0.00 0.00 46.19 43.92 3b5m s LEU 3 CO 0.06 -0.04 1.11 -1.61 -1.32 0.00 0.00 176.35 174.55 3b5m s GLU 4 N 0.90 3.26 0.42 1.98 0.41 -1.26 -3.27 118.70 121.14 3b5m s GLU 4 Ca 0.24 -0.31 0.07 0.00 -0.41 0.00 0.00 54.97 54.56 3b5m s GLU 4 Cb -0.15 -4.13 -0.05 0.00 -1.78 0.00 0.00 34.13 28.01 3b5m s GLU 4 CO 0.09 -1.83 0.14 -1.54 -0.49 0.00 0.00 175.26 171.63 3b5m s SER 5 N 3.38 4.29 -0.08 -0.19 1.04 -0.09 -4.71 113.70 117.33 3b5m s SER 5 Ca 0.32 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3b5m s SER 5 Cb -0.11 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.59 3b5m s SER 5 CO 0.17 -0.55 -0.07 -0.76 0.98 0.00 0.00 173.24 173.00 3b5m s LEU 6 N -3.87 3.14 -0.08 2.42 1.43 -1.04 -1.96 118.68 118.72 3b5m s LEU 6 Ca 0.38 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3b5m s LEU 6 Cb 0.05 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3b5m s LEU 6 CO 0.21 0.32 -0.24 0.54 0.23 0.00 0.00 176.35 177.41 3b5m s VAL 7 N -0.57 2.01 -0.05 -1.59 0.11 0.60 -0.46 120.40 120.46 3b5m s VAL 7 Ca 0.08 -1.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.09 3b5m s VAL 7 Cb -0.12 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 3b5m s VAL 7 CO 0.02 0.55 0.09 0.42 -3.33 0.00 0.00 175.10 172.86 3b5m s THR 8 N 0.08 4.93 0.16 5.04 -4.23 -0.39 -1.52 115.64 119.70 3b5m s THR 8 Ca -0.11 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.16 3b5m s THR 8 Cb -0.16 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 3b5m s THR 8 CO 0.06 0.47 0.20 0.42 -0.54 0.00 0.00 174.62 175.23 3b5m s THR 9 N -1.11 0.07 0.03 3.99 -4.23 -0.71 -1.34 115.64 112.34 3b5m s THR 9 Ca 0.20 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.16 3b5m s THR 9 Cb -0.12 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 3b5m s THR 9 CO 0.10 -0.30 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.86 3b5m s LEU 10 N -3.02 2.13 0.00 4.79 1.43 -1.26 -0.82 118.68 121.94 3b5m s LEU 10 Ca 0.22 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3b5m s LEU 10 Cb 0.05 -1.24 0.10 0.00 0.03 0.00 0.00 46.19 45.12 3b5m s LEU 10 CO 0.02 0.26 0.61 -0.90 0.23 0.00 0.00 176.35 176.58 3b5m n ASP 11 N 1.98 0.24 0.25 2.29 5.68 -0.40 -4.76 116.55 121.83 3b5m n ASP 11 Ca -0.17 -1.34 0.13 0.00 -0.50 0.00 0.00 54.79 52.92 3b5m n ASP 11 Cb 0.52 -0.45 0.62 0.00 -1.14 0.00 0.00 41.12 40.67 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 -0.44 0.11 5.08 -1.97 -0.60 114.58 116.76 3b5m h GLU 12 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3b5m h GLU 12 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3b5m h GLU 12 CO 0.16 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 3b5m n GLN 13 N -3.37 2.24 -0.86 2.33 3.00 -1.26 -4.95 117.38 114.51 3b5m n GLN 13 Ca -0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 3b5m n GLN 13 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.13 3b5m n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3b5m n GLY 14 N 1.37 0.72 3.73 1.08 0.00 -0.23 -5.03 105.19 106.84 3b5m n GLY 14 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 4.33 -0.02 1.61 0.52 -1.26 -4.68 118.95 119.32 3b5m s ARG 15 Ca 0.00 2.15 -0.22 0.00 -0.52 0.00 0.00 55.73 57.13 3b5m s ARG 15 Cb 0.00 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 3b5m s ARG 15 CO 0.00 -0.37 0.67 0.42 0.02 0.00 0.00 175.30 176.04 3b5m s ILE 16 N 0.41 4.92 -0.03 1.52 1.01 -1.26 -1.27 121.20 126.50 3b5m s ILE 16 Ca 0.60 1.39 0.07 0.00 0.00 0.00 0.00 60.65 62.71 3b5m s ILE 16 Cb -0.39 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 3b5m s ILE 16 CO 0.37 0.35 -0.22 0.21 0.00 0.00 0.00 174.94 175.65 3b5m s ASN 17 N 0.18 3.41 -0.12 3.58 2.47 -0.00 -4.76 114.94 119.70 3b5m s ASN 17 Ca 0.35 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 53.26 3b5m s ASN 17 Cb -0.18 -0.52 0.02 0.00 -1.45 0.00 0.00 41.25 39.11 3b5m s ASN 17 CO 0.19 0.32 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.54 3b5m s LEU 18 N -0.70 1.58 0.12 3.21 2.96 -1.26 -1.74 118.68 122.84 3b5m s LEU 18 Ca 0.11 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 3b5m s LEU 18 Cb -0.10 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.56 3b5m s LEU 18 CO -0.00 -0.04 0.31 0.00 -1.32 0.00 0.00 176.35 175.30 3b5m s ALA 19 N 1.31 -0.57 0.54 5.97 0.00 -0.58 -4.73 121.76 123.70 3b5m s ALA 19 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 3b5m s ALA 19 Cb -0.14 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 3b5m s ALA 19 CO -0.06 -0.59 1.17 -2.14 0.00 0.00 0.00 175.76 174.13 3b5m s PRO 20 N -3.84 3.32 -0.06 0.00 0.02 -1.26 -0.29 135.00 132.89 3b5m s PRO 20 Ca 0.05 1.72 -0.13 0.00 0.02 0.00 0.00 61.00 62.66 3b5m s PRO 20 Cb 0.03 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.51 3b5m s PRO 20 CO -0.10 -0.90 0.32 -1.17 -0.33 0.00 0.00 177.00 174.82 3b5m s LEU 21 N -3.72 0.80 -0.76 -5.54 2.96 -0.83 -4.79 118.68 106.81 3b5m s LEU 21 Ca 0.72 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 3b5m s LEU 21 Cb -0.27 1.22 0.26 0.00 0.50 0.00 0.00 46.19 47.89 3b5m s LEU 21 CO 0.31 -0.30 0.90 0.61 -1.32 0.00 0.00 176.35 176.54 3b5m n GLY 22 N 1.97 4.81 3.77 7.98 0.00 -1.26 -0.91 105.19 121.56 3b5m n GLY 22 Ca -0.18 -2.73 -0.37 0.00 0.00 0.00 0.00 46.02 42.74 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 -2.43 3.67 0.05 1.61 0.04 -1.20 -4.70 135.00 132.04 3b5m s PRO 23 Ca 0.36 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 3b5m s PRO 23 Cb 0.10 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3b5m s PRO 23 CO -0.00 -0.61 1.05 0.42 0.04 0.00 0.00 177.00 177.90 3b5m s ILE 24 N -1.59 4.47 -0.38 0.56 1.01 -0.56 -1.59 121.20 123.12 3b5m s ILE 24 Ca 0.65 1.84 -0.17 0.00 0.00 0.00 0.00 60.65 62.97 3b5m s ILE 24 Cb -0.28 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.02 3b5m s ILE 24 CO 0.33 0.18 0.43 -0.69 0.00 0.00 0.00 174.94 175.19 3b5m s VAL 25 N 0.75 5.10 -0.23 2.92 1.01 -0.11 -1.05 120.40 128.79 3b5m s VAL 25 Ca 0.53 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3b5m s VAL 25 Cb -0.25 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3b5m s VAL 25 CO 0.29 -0.26 0.43 -0.76 0.00 0.00 0.00 175.10 174.81 3b5m s LEU 26 N 2.16 4.10 0.69 3.92 1.43 0.39 -4.80 118.68 126.56 3b5m s LEU 26 Ca 0.13 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 3b5m s LEU 26 Cb -0.16 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.52 3b5m s LEU 26 CO 0.13 -0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.50 3b5m s PRO 27 N 1.79 2.63 0.81 1.29 0.04 -1.26 -1.36 135.00 138.95 3b5m s PRO 27 Ca 0.19 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 3b5m s PRO 27 Cb -0.15 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.54 3b5m s PRO 27 CO 0.09 -1.39 1.09 -1.25 0.04 0.00 0.00 177.00 175.58 3b5m s PRO 28 N -4.21 1.93 0.29 0.56 0.04 -1.26 -4.67 135.00 127.67 3b5m s PRO 28 Ca 0.67 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3b5m s PRO 28 Cb -0.21 -1.88 0.45 0.00 0.04 0.00 0.00 34.50 32.91 3b5m s PRO 28 CO 0.44 -1.80 1.80 1.96 0.04 0.00 0.00 177.00 179.43 3b5m h GLN 29 N -1.23 0.62 -6.45 4.56 1.08 -1.95 -3.43 115.11 108.31 3b5m h GLN 29 Ca -0.46 -0.17 -0.70 0.00 -1.45 0.00 0.00 58.65 55.87 3b5m h GLN 29 Cb 1.25 -0.07 -0.29 0.00 -0.05 0.00 0.00 27.48 28.32 3b5m h GLN 29 CO 0.54 0.68 -0.87 -1.12 -0.95 0.00 0.00 178.83 177.11 3b5m s SER 30 N -6.72 3.19 0.26 1.46 0.01 -1.26 -5.09 113.70 105.56 3b5m s SER 30 Ca -0.08 -0.44 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 3b5m s SER 30 Cb 0.15 -0.51 -0.12 0.00 0.21 0.00 0.00 66.02 65.74 3b5m s SER 30 CO 0.79 0.31 1.55 -0.81 0.41 0.00 0.00 173.24 175.49 3b5m n PRO 31 N 2.53 2.48 0.00 12.44 -0.04 -1.26 -1.49 135.00 149.66 3b5m n PRO 31 Ca -0.16 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3b5m n PRO 31 Cb 0.51 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.38 1.61 3.75 0.55 0.00 -1.26 -5.06 105.19 107.17 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 -2.04 1.58 0.27 -0.02 0.00 -0.56 -5.03 107.32 101.53 3b5m s GLY 33 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.06 3b5m s GLY 33 CO 0.00 0.16 0.91 1.08 0.00 0.00 0.00 173.10 175.24 3b5m s LEU 34 N -6.12 4.48 0.91 0.66 1.43 -1.26 -4.68 118.68 114.09 3b5m s LEU 34 Ca 0.64 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 55.44 3b5m s LEU 34 Cb -0.16 -3.75 0.14 0.00 0.03 0.00 0.00 46.19 42.44 3b5m s LEU 34 CO 0.55 0.06 1.16 -2.16 0.23 0.00 0.00 176.35 176.18 3b5m s PRO 35 N -1.62 1.17 0.49 1.29 0.04 -1.26 -4.27 135.00 130.83 3b5m s PRO 35 Ca 0.45 0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.75 3b5m s PRO 35 Cb -0.22 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3b5m s PRO 35 CO 0.27 -2.16 0.38 -0.65 0.04 0.00 0.00 177.00 174.89 3b5m s GLN 36 N -5.38 2.35 0.02 4.56 -0.21 -0.46 -4.30 119.66 116.23 3b5m s GLN 36 Ca 0.64 -1.82 0.01 0.00 0.02 0.00 0.00 55.36 54.22 3b5m s GLN 36 Cb -0.13 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 3b5m s GLN 36 CO 0.53 -0.42 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.17 3b5m s PHE 37 N -2.64 0.36 -0.29 0.91 0.08 -0.39 -0.46 117.98 115.55 3b5m s PHE 37 Ca 0.41 -0.29 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 3b5m s PHE 37 Cb -0.02 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.21 3b5m s PHE 37 CO 0.24 -0.07 0.08 -1.17 -0.10 0.00 0.00 175.22 174.20 3b5m s LEU 38 N -0.83 3.77 -0.14 -0.37 2.96 -0.21 -0.63 118.68 123.23 3b5m s LEU 38 Ca -0.06 -0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 3b5m s LEU 38 Cb -0.06 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3b5m s LEU 38 CO -0.00 -0.17 0.16 -0.76 -1.32 0.00 0.00 176.35 174.26 3b5m s LEU 39 N 1.51 4.33 -0.48 -0.68 1.43 0.91 -1.50 118.68 124.21 3b5m s LEU 39 Ca 0.03 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3b5m s LEU 39 Cb -0.17 -2.13 0.27 0.00 0.03 0.00 0.00 46.19 44.19 3b5m s LEU 39 CO 0.02 0.31 0.65 0.54 0.23 0.00 0.00 176.35 178.11 3b5m n ARG 40 N 2.55 1.51 -2.15 1.70 1.74 -1.26 -0.52 116.66 120.24 3b5m n ARG 40 Ca -0.18 -3.83 -0.33 0.00 -0.77 0.00 0.00 57.85 52.74 3b5m n ARG 40 Cb 0.54 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.92 3.37 -0.06 5.56 0.04 -1.26 -4.95 135.00 135.79 3b5m s PRO 41 Ca 0.38 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 3b5m s PRO 41 Cb 0.19 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3b5m s PRO 41 CO -0.08 -0.78 0.97 -0.47 0.04 0.00 0.00 177.00 176.69 3b5m s TYR 42 N -2.26 3.58 0.14 0.56 5.04 -1.26 -4.41 117.35 118.74 3b5m s TYR 42 Ca 0.66 1.61 -0.34 0.00 -2.44 0.00 0.00 57.07 56.56 3b5m s TYR 42 Cb -0.17 -3.13 -0.15 0.00 0.35 0.00 0.00 41.96 38.85 3b5m s TYR 42 CO 0.33 -0.11 1.37 -1.91 -1.34 0.00 0.00 175.55 173.88 3b5m n GLU 43 N 4.45 1.50 0.00 4.97 4.07 -1.26 -2.06 120.64 132.30 3b5m n GLU 43 Ca 0.07 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.71 3b5m n GLU 43 Cb 0.50 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 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 2.57 1.75 3.78 8.31 0.00 -1.26 -5.05 105.19 115.30 3b5m n GLY 44 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.62 5.32 0.21 1.61 1.04 -0.87 -4.89 113.70 113.50 3b5m s SER 45 Ca 0.00 1.92 -0.09 0.00 0.48 0.00 0.00 55.95 58.26 3b5m s SER 45 Cb 0.00 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.80 3b5m s SER 45 CO 0.00 -1.48 1.83 0.74 0.98 0.00 0.00 173.24 175.31 3b5m h THR 46 N 0.10 1.03 -0.47 2.02 2.02 -1.96 -1.03 112.91 114.62 3b5m h THR 46 Ca -0.47 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 66.50 3b5m h THR 46 Cb 1.24 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3b5m h THR 46 CO 0.55 0.14 0.20 0.74 0.37 0.00 0.00 175.52 177.53 3b5m h THR 47 N 0.78 0.91 -0.43 3.16 2.02 -1.92 -0.54 112.91 116.89 3b5m h THR 47 Ca 0.30 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 3b5m h THR 47 Cb 0.11 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3b5m h THR 47 CO -0.15 0.07 0.05 0.00 0.37 0.00 0.00 175.52 175.87 3b5m h ASP 49 N 0.57 0.24 -0.35 0.00 3.32 -0.93 -1.14 116.42 118.13 3b5m h ASP 49 Ca 0.13 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3b5m h ASP 49 Cb 0.41 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3b5m h ASP 49 CO 0.01 0.18 -0.22 0.78 -1.72 0.00 0.00 179.24 178.26 3b5m h ASN 50 N 0.37 0.86 -0.63 6.45 2.35 -0.90 -1.64 115.58 122.43 3b5m h ASN 50 Ca 0.18 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 3b5m h ASN 50 Cb 0.12 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3b5m h ASN 50 CO -0.15 1.05 0.18 -0.07 -1.65 0.00 0.00 177.43 176.79 3b5m h LEU 51 N 0.73 0.93 -0.63 1.61 3.38 -0.73 -0.33 115.31 120.26 3b5m h LEU 51 Ca 0.10 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3b5m h LEU 51 Cb 0.76 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3b5m h LEU 51 CO 0.06 0.90 -0.43 -0.07 0.09 0.00 0.00 178.44 178.99 3b5m h LEU 52 N 0.91 0.62 -0.03 1.67 3.38 -1.10 0.32 115.31 121.07 3b5m h LEU 52 Ca 0.20 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3b5m h LEU 52 Cb 0.31 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3b5m h LEU 52 CO -0.00 0.97 -0.40 0.00 0.09 0.00 0.00 178.44 179.10 3b5m h ALA 53 N 1.06 0.09 0.00 1.53 0.00 -1.18 -3.40 119.26 117.36 3b5m h ALA 53 Ca 0.04 -0.49 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 3b5m h ALA 53 Cb 0.94 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3b5m h ALA 53 CO 0.08 0.22 -2.17 -1.13 0.00 0.00 0.00 179.25 176.25 3b5m n SER 54 N -4.37 0.61 -0.00 0.00 3.41 -0.14 -5.00 113.62 108.12 3b5m n SER 54 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3b5m n SER 54 Cb 0.56 1.08 -0.00 0.00 -0.26 0.00 0.00 64.21 65.59 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 1.83 0.34 3.44 5.00 0.00 0.10 -4.95 105.19 110.95 3b5m n GLY 55 Ca -0.25 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 3.65 0.20 1.61 0.01 -1.26 -0.11 114.94 117.03 3b5m s ASN 56 Ca 0.00 -0.53 -0.23 0.00 -0.71 0.00 0.00 52.86 51.40 3b5m s ASN 56 Cb 0.00 -0.49 0.05 0.00 0.41 0.00 0.00 41.25 41.22 3b5m s ASN 56 CO 0.00 0.23 0.68 0.00 -1.51 0.00 0.00 177.10 176.50 3b5m s ALA 57 N -0.97 -1.47 -0.14 0.60 0.00 -1.04 -4.65 121.76 114.08 3b5m s ALA 57 Ca 0.15 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3b5m s ALA 57 Cb -0.10 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3b5m s ALA 57 CO 0.06 -0.88 -0.18 0.08 0.00 0.00 0.00 175.76 174.84 3b5m s VAL 58 N -3.76 1.79 -0.18 0.00 1.01 -0.45 -0.51 120.40 118.29 3b5m s VAL 58 Ca 0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3b5m s VAL 58 Cb -0.03 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3b5m s VAL 58 CO -0.05 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.09 3b5m s ILE 59 N 1.07 5.39 -0.07 2.22 1.01 0.06 -1.27 121.20 129.61 3b5m s ILE 59 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.96 3b5m s ILE 59 Cb -0.14 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3b5m s ILE 59 CO -0.05 0.44 -0.25 -1.00 0.00 0.00 0.00 174.94 174.08 3b5m s HIS 60 N 0.28 2.48 -0.24 3.97 3.76 0.39 -0.65 115.29 125.27 3b5m s HIS 60 Ca 0.11 -0.82 -0.24 0.00 -0.15 0.00 0.00 55.06 53.95 3b5m s HIS 60 Cb -0.12 -1.63 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 3b5m s HIS 60 CO -0.00 -0.28 0.82 0.08 -0.85 0.00 0.00 174.74 174.51 3b5m s VAL 61 N -0.01 4.85 0.06 -0.90 1.01 0.55 -2.49 120.40 123.46 3b5m s VAL 61 Ca -0.08 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.47 3b5m s VAL 61 Cb -0.15 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3b5m s VAL 61 CO 0.05 -0.07 -0.10 0.27 0.00 0.00 0.00 175.10 175.26 3b5m s ILE 62 N 2.82 0.76 -0.96 2.22 -0.00 -1.26 -0.86 121.20 123.91 3b5m s ILE 62 Ca 0.34 -1.28 0.17 0.00 -0.00 0.00 0.00 60.65 59.88 3b5m s ILE 62 Cb -0.15 -0.91 0.62 0.00 -0.00 0.00 0.00 42.46 42.02 3b5m s ILE 62 CO 0.07 -0.40 1.53 -0.90 -0.00 0.00 0.00 174.94 175.25 3b5m n ASP 63 N 1.18 4.30 -4.39 4.36 5.68 -1.26 -4.87 116.55 121.56 3b5m n ASP 63 Ca -0.21 -2.45 -0.45 0.00 -0.50 0.00 0.00 54.79 51.18 3b5m n ASP 63 Cb 0.55 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.09 6.94 0.36 -1.12 -1.08 -1.26 -4.83 116.67 114.59 3b5m s ASP 64 Ca 0.45 -2.84 0.11 0.00 -0.52 0.00 0.00 52.55 49.75 3b5m s ASP 64 Cb 0.29 -2.29 0.70 0.00 -1.46 0.00 0.00 42.92 40.16 3b5m s ASP 64 CO 0.21 -0.65 1.83 0.00 0.52 0.00 0.00 175.17 177.08 3b5m h ALA 65 N 7.62 1.38 -0.54 3.66 0.00 -1.90 -2.58 119.26 126.89 3b5m h ALA 65 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b5m h ALA 65 Cb 0.96 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3b5m h ALA 65 CO 1.00 0.45 0.32 1.25 0.00 0.00 0.00 179.25 182.27 3b5m h LEU 66 N 0.10 0.65 -0.67 0.00 5.85 -1.88 -0.29 115.31 119.07 3b5m h LEU 66 Ca 0.01 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 3b5m h LEU 66 Cb 0.60 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3b5m h LEU 66 CO 0.04 0.52 -0.41 0.25 -0.34 0.00 0.00 178.44 178.51 3b5m h LEU 67 N 0.72 0.59 -0.24 2.25 5.85 -1.90 0.45 115.31 123.04 3b5m h LEU 67 Ca 0.19 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3b5m h LEU 67 Cb -0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3b5m h LEU 67 CO -0.04 0.93 0.10 0.40 -0.34 0.00 0.00 178.44 179.50 3b5m h ILE 68 N 0.46 0.97 -0.30 4.05 2.04 -1.22 -1.54 117.51 121.97 3b5m h ILE 68 Ca 0.04 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3b5m h ILE 68 Cb 0.91 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3b5m h ILE 68 CO 0.08 0.04 0.19 0.00 0.00 0.00 0.00 178.15 178.46 3b5m h ALA 69 N 1.13 0.38 -0.46 1.87 0.00 -0.52 0.24 119.26 121.91 3b5m h ALA 69 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3b5m h ALA 69 Cb 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3b5m h ALA 69 CO -0.08 -0.16 0.21 0.87 0.00 0.00 0.00 179.25 180.08 3b5m h LYS 70 N 0.39 0.40 0.00 0.00 1.57 -0.79 -2.10 116.57 116.04 3b5m h LYS 70 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3b5m h LYS 70 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3b5m h LYS 70 CO -0.04 0.26 -0.04 1.79 -0.57 0.00 0.00 179.45 180.86 3b5m h THR 71 N 0.41 0.00 -0.05 -0.16 1.35 -1.00 -2.13 112.91 111.33 3b5m h THR 71 Ca 0.21 -0.65 -0.21 0.00 -0.55 0.00 0.00 66.41 65.20 3b5m h THR 71 Cb 0.15 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3b5m h THR 71 CO -0.17 0.00 -0.85 0.00 -0.25 0.00 0.00 175.52 174.25 3b5m h ALA 72 N 2.35 0.42 0.00 6.62 0.00 -0.45 -3.36 119.26 124.84 3b5m h ALA 72 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3b5m h ALA 72 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3b5m h ALA 72 CO 0.00 0.77 -0.97 0.44 0.00 0.00 0.00 179.25 179.49 3b5m n ILE 73 N -3.82 0.08 -3.85 0.00 -5.35 -0.84 -4.92 119.36 100.67 3b5m n ILE 73 Ca -0.06 -0.14 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 3b5m n ILE 73 Cb 0.78 0.42 0.01 0.00 -1.74 0.00 0.00 39.64 39.11 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 1.42 0.62 3.73 3.28 0.00 -0.81 -5.09 105.19 108.34 3b5m n GLY 74 Ca 0.03 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 3b5m n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3b5m s LYS 75 N -2.03 4.41 -0.12 1.61 2.36 -1.26 -4.19 119.74 120.52 3b5m s LYS 75 Ca 0.20 0.84 -0.01 0.00 -2.55 0.00 0.00 55.97 54.44 3b5m s LYS 75 Cb -0.02 -3.41 -0.02 0.00 -1.05 0.00 0.00 37.83 33.33 3b5m s LYS 75 CO 0.03 0.16 -0.09 0.08 1.55 0.00 0.00 175.35 177.08 3b5m s VAL 76 N 0.48 3.44 -0.42 4.02 1.01 -1.26 -5.01 120.40 122.66 3b5m s VAL 76 Ca 0.35 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3b5m s VAL 76 Cb -0.18 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3b5m s VAL 76 CO 0.18 0.53 1.36 -0.62 0.00 0.00 0.00 175.10 176.55 3b5m s ASP 77 N 0.11 6.40 0.00 3.32 2.15 -1.26 -4.67 116.67 122.72 3b5m s ASP 77 Ca -0.04 0.80 0.21 0.00 0.43 0.00 0.00 52.55 53.95 3b5m s ASP 77 Cb -0.14 -2.54 0.54 0.00 -0.30 0.00 0.00 42.92 40.48 3b5m s ASP 77 CO 0.04 -1.38 1.46 0.00 -0.17 0.00 0.00 175.17 175.11 3b5m n ALA 78 N 8.59 2.41 -0.28 3.66 0.00 -1.26 -4.56 120.51 129.08 3b5m n ALA 78 Ca 0.16 -1.04 0.06 0.00 0.00 0.00 0.00 53.44 52.62 3b5m n ALA 78 Cb 0.48 -0.94 0.20 0.00 0.00 0.00 0.00 19.45 19.19 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 3.81 0.41 -0.22 0.00 0.02 -1.92 -0.29 113.55 115.36 3b5m h SER 79 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3b5m h SER 79 Cb 0.86 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3b5m h SER 79 CO 0.00 0.17 0.00 -0.67 -1.14 0.00 0.00 176.83 175.19 3b5m n ASP 80 N -4.93 2.10 -0.00 3.07 -0.08 -1.26 -3.97 116.55 111.47 3b5m n ASP 80 Ca 0.16 -1.79 0.10 0.00 -1.51 0.00 0.00 54.79 51.75 3b5m n ASP 80 Cb 0.42 -0.14 -0.14 0.00 2.34 0.00 0.00 41.12 43.60 3b5m n ASP 80 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3b5m n LEU 81 N 0.61 0.62 -4.32 -2.67 4.77 -0.13 -5.01 117.00 110.88 3b5m n LEU 81 Ca 0.17 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.67 3b5m n LEU 81 Cb 0.39 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3b5m n LEU 81 CO 0.13 0.16 -0.38 0.68 -1.33 0.00 0.00 177.39 176.65 3b5m s VAL 82 N -3.19 1.28 0.00 4.08 -7.23 -1.14 -1.44 120.40 112.76 3b5m s VAL 82 Ca 0.02 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3b5m s VAL 82 Cb 0.15 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.96 3b5m s VAL 82 CO 0.88 -0.52 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.44 3b5m s VAL 83 N -3.26 0.21 0.51 1.32 1.01 -0.12 -4.90 120.40 115.17 3b5m s VAL 83 Ca 0.23 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3b5m s VAL 83 Cb 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 3b5m s VAL 83 CO 0.06 -0.02 1.26 -2.65 0.00 0.00 0.00 175.10 173.75 3b5m n PRO 84 N 2.80 1.65 -3.04 2.72 -0.02 -1.26 -1.14 135.00 136.72 3b5m n PRO 84 Ca -0.14 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3b5m n PRO 84 Cb 0.59 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3b5m n PRO 84 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3b5m s ILE 85 N -1.29 4.92 0.22 4.25 1.01 -0.77 -4.85 121.20 124.69 3b5m s ILE 85 Ca 0.68 1.22 -0.32 0.00 0.00 0.00 0.00 60.65 62.23 3b5m s ILE 85 Cb -0.45 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 37.88 3b5m s ILE 85 CO 0.52 -0.04 1.47 -2.65 0.00 0.00 0.00 174.94 174.24 3b5m n PRO 86 N 5.85 2.09 0.00 2.79 -0.02 -1.26 -0.29 135.00 144.17 3b5m n PRO 86 Ca 0.01 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3b5m n PRO 86 Cb 0.48 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.54 3.26 1.07 -1.23 0.00 -1.26 -4.76 105.19 104.81 3b5m n GLY 87 Ca 0.13 0.00 0.04 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 1.30 0.21 0.99 4.77 0.61 -4.94 117.00 119.93 3b5m n LEU 88 Ca 0.00 -2.33 0.15 0.00 -0.03 0.00 0.00 56.01 53.80 3b5m n LEU 88 Cb 0.00 -0.14 0.59 0.00 -2.33 0.00 0.00 43.42 41.54 3b5m n LEU 88 CO 0.00 0.67 0.93 1.05 -1.33 0.00 0.00 177.39 178.71 3b5m h GLU 89 N 0.79 0.00 -0.00 3.23 9.09 -1.42 -0.73 114.58 125.54 3b5m h GLU 89 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 3b5m h GLU 89 Cb 1.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.68 3b5m h GLU 89 CO 0.06 0.00 -0.61 -0.25 0.05 0.00 0.00 179.01 178.26 3b5m n ASP 90 N -2.71 0.71 0.00 3.06 8.00 -1.26 -4.59 116.55 119.76 3b5m n ASP 90 Ca 0.01 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3b5m n ASP 90 Cb 0.28 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.40 0.00 -3.87 -3.53 -2.24 -0.41 -5.05 114.28 97.78 3b5m n THR 91 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 3b5m n THR 91 Cb 0.34 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.31 0.04 0.04 4.78 3.76 -0.47 -4.75 115.29 117.38 3b5m s HIS 92 Ca 0.00 0.02 0.06 0.00 -0.15 0.00 0.00 55.06 54.98 3b5m s HIS 92 Cb 0.00 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 3b5m s HIS 92 CO 0.00 -0.02 -0.16 0.14 -0.85 0.00 0.00 174.74 173.85 3b5m s VAL 93 N 0.22 1.27 0.17 -0.90 -7.23 -1.26 -1.84 120.40 110.82 3b5m s VAL 93 Ca -0.02 -1.04 0.10 0.00 -1.81 0.00 0.00 61.98 59.21 3b5m s VAL 93 Cb -0.03 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3b5m s VAL 93 CO -0.01 0.07 -0.21 0.00 -0.31 0.00 0.00 175.10 174.65 3b5m s ARG 94 N -1.11 1.36 0.31 4.82 1.70 -0.29 -4.66 118.95 121.07 3b5m s ARG 94 Ca 0.03 -1.43 -0.29 0.00 -0.47 0.00 0.00 55.73 53.58 3b5m s ARG 94 Cb -0.08 -1.55 -0.10 0.00 -0.57 0.00 0.00 34.95 32.64 3b5m s ARG 94 CO 0.01 0.33 1.43 -0.51 -1.08 0.00 0.00 175.30 175.48 3b5m s LEU 95 N -2.57 4.38 0.23 -1.89 1.43 -1.26 -0.95 118.68 118.06 3b5m s LEU 95 Ca 0.17 2.80 -0.02 0.00 -1.03 0.00 0.00 54.13 56.04 3b5m s LEU 95 Cb -0.07 -3.64 0.26 0.00 0.03 0.00 0.00 46.19 42.76 3b5m s LEU 95 CO 0.08 -0.72 1.66 0.11 0.23 0.00 0.00 176.35 177.71 3b5m h LYS 96 N 4.03 0.70 -4.71 1.70 1.57 -1.59 -3.41 116.57 114.86 3b5m h LYS 96 Ca -0.48 -0.27 -0.69 0.00 -1.87 0.00 0.00 60.65 57.34 3b5m h LYS 96 Cb 1.23 -0.04 -0.29 0.00 0.08 0.00 0.00 32.23 33.21 3b5m h LYS 96 CO 0.71 0.86 -0.62 1.03 -0.57 0.00 0.00 179.45 180.85 3b5m s ARG 97 N -4.61 2.66 0.19 3.15 1.81 -1.26 -4.93 118.95 115.97 3b5m s ARG 97 Ca -0.09 -1.14 -0.24 0.00 -1.72 0.00 0.00 55.73 52.54 3b5m s ARG 97 Cb 0.13 -3.41 0.05 0.00 -0.45 0.00 0.00 34.95 31.28 3b5m s ARG 97 CO 0.82 -0.63 0.88 0.00 -0.68 0.00 0.00 175.30 175.69 3b5m h HIS 99 N 2.00 0.27 -3.15 0.00 2.76 -1.17 -0.30 115.15 115.56 3b5m h HIS 99 Ca -0.23 -0.19 -0.12 0.00 -2.20 0.00 0.00 60.37 57.63 3b5m h HIS 99 Cb 1.24 -0.01 -0.20 0.00 1.55 0.00 0.00 27.41 29.99 3b5m h HIS 99 CO 0.39 1.41 -0.31 0.50 -1.30 0.00 0.00 177.93 178.62 3b5m s ARG 100 N -2.40 0.65 0.04 5.26 3.52 -1.04 -0.78 118.95 124.20 3b5m s ARG 100 Ca -0.21 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 3b5m s ARG 100 Cb 0.03 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3b5m s ARG 100 CO 0.72 -0.18 -0.07 1.67 -0.81 0.00 0.00 175.30 176.63 3b5m s TRP 101 N -1.48 0.57 -0.17 5.12 1.48 -0.45 -0.33 118.94 123.68 3b5m s TRP 101 Ca -0.13 -0.52 -0.02 0.00 -1.06 0.00 0.00 56.10 54.38 3b5m s TRP 101 Cb -0.05 -0.35 0.05 0.00 -1.16 0.00 0.00 33.47 31.96 3b5m s TRP 101 CO 0.03 -0.11 0.01 -0.06 -4.06 0.00 0.00 176.95 172.76 3b5m s PHE 102 N -1.45 1.11 -0.18 1.66 0.08 0.18 -1.82 117.98 117.56 3b5m s PHE 102 Ca -0.11 -0.79 -0.24 0.00 0.12 0.00 0.00 56.93 55.91 3b5m s PHE 102 Cb -0.10 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3b5m s PHE 102 CO -0.00 -0.56 0.77 0.00 -0.10 0.00 0.00 175.22 175.33 3b5m s ALA 103 N 1.83 3.53 0.26 5.36 0.00 0.29 -0.76 121.76 132.26 3b5m s ALA 103 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3b5m s ALA 103 Cb -0.16 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3b5m s ALA 103 CO -0.07 -0.63 -0.11 0.14 0.00 0.00 0.00 175.76 175.09 3b5m s VAL 104 N 2.10 1.83 -0.04 0.00 -7.23 0.33 0.05 120.40 117.44 3b5m s VAL 104 Ca 0.35 -2.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3b5m s VAL 104 Cb -0.16 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3b5m s VAL 104 CO 0.12 -0.41 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.87 3b5m s ARG 105 N -3.66 0.59 0.11 4.82 3.52 -0.38 -2.50 118.95 121.45 3b5m s ARG 105 Ca 0.27 -0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.53 3b5m s ARG 105 Cb 0.01 -0.66 -0.08 0.00 -1.56 0.00 0.00 34.95 32.66 3b5m s ARG 105 CO 0.11 -0.09 1.43 0.08 -0.81 0.00 0.00 175.30 176.02 3b5m s VAL 106 N 0.89 3.22 -0.10 7.11 1.01 0.85 -1.26 120.40 132.12 3b5m s VAL 106 Ca -0.11 0.85 0.12 0.00 0.00 0.00 0.00 61.98 62.84 3b5m s VAL 106 Cb -0.14 -3.54 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 3b5m s VAL 106 CO -0.01 0.06 0.10 0.35 0.00 0.00 0.00 175.10 175.60 3b5m n THR 107 N 4.06 0.66 -3.81 3.92 -2.24 0.87 -4.93 114.28 112.81 3b5m n THR 107 Ca 0.12 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3b5m n THR 107 Cb 0.42 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.04 3b5m n THR 107 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3b5m s GLN 108 N -2.45 0.06 -0.20 -0.78 0.74 -1.18 -5.00 119.66 110.85 3b5m s GLN 108 Ca -0.06 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.54 3b5m s GLN 108 Cb 0.05 -0.06 0.03 0.00 1.10 0.00 0.00 33.01 34.13 3b5m s GLN 108 CO 0.53 -0.07 -0.17 1.03 -0.55 0.00 0.00 175.29 176.06 3b5m s ARG 109 N 0.47 2.67 0.00 1.67 0.52 -1.26 -1.00 118.95 122.02 3b5m s ARG 109 Ca -0.04 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 3b5m s ARG 109 Cb -0.05 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3b5m s ARG 109 CO -0.02 -0.32 0.00 0.00 0.02 0.00 0.00 175.30 174.99 3b5m n ALA 110 N 4.59 0.00 0.00 2.13 0.00 0.13 -5.01 120.51 122.36 3b5m n ALA 110 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3b5m n ALA 110 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.45 0.28 3.76 0.00 0.00 -1.26 -1.12 105.19 107.30 3b5m n GLY 111 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.80 2.87 0.49 2.61 2.01 -1.26 -4.85 115.64 114.71 3b5m s THR 112 Ca 0.00 0.84 0.20 0.00 0.31 0.00 0.00 61.69 63.04 3b5m s THR 112 Cb 0.00 -3.53 0.25 0.00 0.01 0.00 0.00 72.50 69.23 3b5m s THR 112 CO 0.00 0.18 2.09 -0.65 -0.69 0.00 0.00 174.62 175.56 3b5m h PRO 113 N 3.87 0.00 -0.72 4.92 0.11 -2.03 0.79 132.00 138.94 3b5m h PRO 113 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3b5m h PRO 113 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3b5m h PRO 113 CO 0.68 0.10 0.40 -1.35 -0.21 0.00 0.00 178.00 177.62 3b5m h PRO 114 N 0.00 0.99 -6.18 1.05 0.11 -2.00 -3.43 132.00 122.54 3b5m h PRO 114 Ca -0.00 -0.10 -0.51 0.00 0.11 0.00 0.00 66.00 65.50 3b5m h PRO 114 Cb 0.19 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 3b5m h PRO 114 CO 0.01 0.71 -0.51 -0.98 -0.21 0.00 0.00 178.00 177.03 3b5m s ARG 115 N -5.68 2.68 -0.01 1.05 1.70 0.27 -4.59 118.95 114.36 3b5m s ARG 115 Ca -0.11 -1.28 0.05 0.00 -0.47 0.00 0.00 55.73 53.92 3b5m s ARG 115 Cb 0.17 -2.42 -0.01 0.00 -0.57 0.00 0.00 34.95 32.12 3b5m s ARG 115 CO 0.79 0.21 -0.17 -1.01 -1.08 0.00 0.00 175.30 174.04 3b5m s HIS 116 N -2.28 1.55 -0.27 5.89 3.76 -1.26 -4.00 115.29 118.68 3b5m s HIS 116 Ca 0.37 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 3b5m s HIS 116 Cb -0.06 -1.00 0.08 0.00 1.11 0.00 0.00 32.58 32.71 3b5m s HIS 116 CO 0.25 -0.03 0.03 -1.21 -0.85 0.00 0.00 174.74 172.93 3b5m s GLU 117 N -0.39 1.10 -0.21 1.40 2.02 -0.27 -4.24 118.70 118.12 3b5m s GLU 117 Ca 0.06 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 53.95 3b5m s GLU 117 Cb -0.07 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 3b5m s GLU 117 CO -0.01 -0.80 -0.04 -0.51 0.02 0.00 0.00 175.26 173.92 3b5m s LEU 118 N 1.48 2.99 0.01 1.80 1.43 0.33 -0.69 118.68 126.03 3b5m s LEU 118 Ca 0.03 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 3b5m s LEU 118 Cb -0.18 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3b5m s LEU 118 CO -0.14 0.02 0.71 -0.89 0.23 0.00 0.00 176.35 176.28 3b5m s THR 119 N 1.23 4.83 -0.00 5.49 2.01 -0.17 -0.06 115.64 128.97 3b5m s THR 119 Ca 0.03 1.49 0.04 0.00 0.31 0.00 0.00 61.69 63.56 3b5m s THR 119 Cb -0.14 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3b5m s THR 119 CO -0.01 0.36 -0.11 0.00 -0.69 0.00 0.00 174.62 174.17 3b5m s ALA 120 N 0.06 0.95 0.25 7.40 0.00 0.19 -0.09 121.76 130.51 3b5m s ALA 120 Ca 0.36 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.90 3b5m s ALA 120 Cb -0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3b5m s ALA 120 CO 0.21 0.22 -0.10 -0.98 0.00 0.00 0.00 175.76 175.11 3b5m s ARG 121 N -0.40 2.01 -0.01 0.00 1.70 -0.39 -1.26 118.95 120.61 3b5m s ARG 121 Ca 0.04 -1.51 -0.27 0.00 -0.47 0.00 0.00 55.73 53.51 3b5m s ARG 121 Cb -0.05 -2.02 -0.04 0.00 -0.57 0.00 0.00 34.95 32.28 3b5m s ARG 121 CO -0.00 0.37 0.85 0.00 -1.08 0.00 0.00 175.30 175.44 3b5m n LEU 123 N 3.61 0.72 -3.50 0.00 4.77 0.11 -4.96 117.00 117.76 3b5m n LEU 123 Ca 0.02 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 3b5m n LEU 123 Cb 0.51 0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 3b5m n LEU 123 CO 0.50 0.43 0.63 0.00 -1.33 0.00 0.00 177.39 177.62 3b5m s ALA 124 N -2.57 -1.79 0.15 -1.18 0.00 -1.18 -5.01 121.76 110.18 3b5m s ALA 124 Ca -0.07 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3b5m s ALA 124 Cb 0.07 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.56 3b5m s ALA 124 CO 0.82 -0.63 0.50 0.45 0.00 0.00 0.00 175.76 176.90 3b5m s SER 125 N -2.25 -0.36 0.03 0.00 0.15 -1.26 -0.54 113.70 109.47 3b5m s SER 125 Ca 0.02 -0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 3b5m s SER 125 Cb -0.01 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 64.94 3b5m s SER 125 CO -0.07 -0.94 0.95 -0.83 1.20 0.00 0.00 173.24 173.54 3b5m s GLY 126 N -2.80 -0.38 0.02 9.45 0.00 -0.76 -4.99 107.32 107.85 3b5m s GLY 126 Ca 0.04 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.51 3b5m s GLY 126 CO -0.10 0.24 0.17 1.08 0.00 0.00 0.00 173.10 174.48 3b5m s LEU 127 N -2.63 4.25 0.00 0.66 1.43 -1.26 -1.33 118.68 119.79 3b5m s LEU 127 Ca 0.08 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3b5m s LEU 127 Cb -0.01 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3b5m s LEU 127 CO -0.05 0.23 0.00 0.52 0.23 0.00 0.00 176.35 177.28 3b5m n VAL 128 N 0.74 0.00 -3.70 -1.59 0.31 0.04 -4.97 118.33 109.15 3b5m n VAL 128 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.97 3b5m n VAL 128 Cb 0.52 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 33.38 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 6.38 0.72 4.52 1.01 -0.12 -4.99 116.67 125.17 3b5m s ASP 129 Ca 0.00 0.38 -0.16 0.00 0.71 0.00 0.00 52.55 53.48 3b5m s ASP 129 Cb 0.00 -2.00 0.03 0.00 1.01 0.00 0.00 42.92 41.96 3b5m s ASP 129 CO 0.00 -0.05 1.23 -2.84 0.21 0.00 0.00 175.17 173.72 3b5m s PRO 130 N -3.40 2.19 -0.02 8.23 0.02 -1.26 -4.19 135.00 136.57 3b5m s PRO 130 Ca 0.38 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 63.07 3b5m s PRO 130 Cb -0.11 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 3b5m s PRO 130 CO 0.29 -1.82 0.53 0.12 -0.33 0.00 0.00 177.00 175.79 3b5m s PHE 131 N -1.82 3.67 0.14 6.54 5.36 -1.26 -4.82 117.98 125.79 3b5m s PHE 131 Ca 0.77 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 57.65 3b5m s PHE 131 Cb -0.32 -2.51 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 3b5m s PHE 131 CO 0.44 0.40 1.71 0.35 -1.46 0.00 0.00 175.22 176.66 3b5m h PHE 132 N 5.55 -0.03 0.00 10.12 3.57 -1.94 -3.49 116.94 130.73 3b5m h PHE 132 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3b5m h PHE 132 Cb 1.20 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3b5m h PHE 132 CO 0.66 -0.05 0.00 0.41 -2.23 0.00 0.00 178.31 177.10 3b5m n GLY 133 N -1.22 0.78 3.73 2.40 0.00 -1.26 -5.03 105.19 104.59 3b5m n GLY 133 Ca -0.01 -2.22 -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 -0.25 2.81 -3.68 1.61 3.72 -1.26 -4.99 117.46 115.42 3b5m n PHE 134 Ca 0.00 0.10 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 3b5m n PHE 134 Cb 0.00 -2.66 -0.14 0.00 -0.94 0.00 0.00 39.48 35.74 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 0.98 0.42 0.36 4.37 3.84 -1.26 -5.05 114.94 118.60 3b5m s ASN 135 Ca 0.72 0.45 0.09 0.00 0.21 0.00 0.00 52.86 54.32 3b5m s ASN 135 Cb -0.50 0.44 0.70 0.00 -0.55 0.00 0.00 41.25 41.34 3b5m s ASN 135 CO 0.37 -0.23 1.85 0.03 -2.79 0.00 0.00 177.10 176.34 3b5m h ARG 136 N 8.11 0.22 -0.16 0.43 3.08 -1.89 -1.71 114.38 122.45 3b5m h ARG 136 Ca -0.19 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3b5m h ARG 136 Cb 1.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3b5m h ARG 136 CO 0.19 0.44 0.03 0.00 -1.07 0.00 0.00 179.97 179.55 3b5m h ALA 137 N 1.58 0.22 -0.79 0.04 0.00 -1.83 -1.27 119.26 117.21 3b5m h ALA 137 Ca 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3b5m h ALA 137 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3b5m h ALA 137 CO 0.03 -0.12 0.48 0.87 0.00 0.00 0.00 179.25 180.51 3b5m h LYS 138 N 0.05 0.86 -0.74 0.00 1.57 -1.81 -0.29 116.57 116.21 3b5m h LYS 138 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3b5m h LYS 138 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3b5m h LYS 138 CO 0.00 0.57 0.32 0.45 -0.57 0.00 0.00 179.45 180.22 3b5m h HIS 139 N 0.88 1.11 -0.01 -1.35 3.86 -1.14 -2.03 115.15 116.47 3b5m h HIS 139 Ca 0.34 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 3b5m h HIS 139 Cb 0.15 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3b5m h HIS 139 CO -0.05 0.84 -0.64 0.00 0.86 0.00 0.00 177.93 178.94 3b5m h ALA 140 N 1.16 0.92 -0.66 2.45 0.00 -0.72 -2.36 119.26 120.04 3b5m h ALA 140 Ca 0.25 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3b5m h ALA 140 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3b5m h ALA 140 CO -0.02 0.78 0.36 0.28 0.00 0.00 0.00 179.25 180.65 3b5m h VAL 141 N 0.04 1.21 -0.48 0.00 2.07 -0.69 -0.33 116.25 118.07 3b5m h VAL 141 Ca -0.01 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3b5m h VAL 141 Cb 1.13 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3b5m h VAL 141 CO 0.09 0.23 0.30 0.40 0.02 0.00 0.00 177.57 178.60 3b5m h ILE 142 N 0.90 1.08 -0.63 4.57 2.04 -1.11 0.52 117.51 124.88 3b5m h ILE 142 Ca 0.23 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3b5m h ILE 142 Cb 0.04 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3b5m h ILE 142 CO -0.04 0.11 0.13 -0.33 0.00 0.00 0.00 178.15 178.02 3b5m h GLU 143 N 0.60 1.00 -0.57 2.37 4.39 -1.09 -0.99 114.58 120.30 3b5m h GLU 143 Ca 0.18 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3b5m h GLU 143 Cb -0.02 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3b5m h GLU 143 CO -0.07 0.91 -0.05 0.00 -1.16 0.00 0.00 179.01 178.64 3b5m h ALA 144 N 1.18 0.82 -0.58 3.43 0.00 -0.74 -1.90 119.26 121.48 3b5m h ALA 144 Ca 0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3b5m h ALA 144 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3b5m h ALA 144 CO 0.00 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.95 3b5m h ALA 145 N 0.99 0.77 -0.39 0.00 0.00 -0.50 -1.09 119.26 119.04 3b5m h ALA 145 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3b5m h ALA 145 Cb 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3b5m h ALA 145 CO 0.04 0.59 0.20 0.28 0.00 0.00 0.00 179.25 180.35 3b5m h VAL 146 N 0.89 0.98 -0.63 0.00 2.07 -1.08 -2.40 116.25 116.09 3b5m h VAL 146 Ca 0.17 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 3b5m h VAL 146 Cb 0.52 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3b5m h VAL 146 CO 0.02 0.07 0.15 0.00 0.02 0.00 0.00 177.57 177.84 3b5m h ALA 147 N 1.20 1.08 0.00 1.67 0.00 -1.09 -2.31 119.26 119.81 3b5m h ALA 147 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3b5m h ALA 147 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3b5m h ALA 147 CO -0.11 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3b5m h ALA 148 N 1.22 1.00 -0.01 0.00 0.00 -0.96 -0.61 119.26 119.90 3b5m h ALA 148 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3b5m h ALA 148 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3b5m h ALA 148 CO 0.00 0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.48 3b5m n THR 149 N -2.57 0.00 -1.63 0.00 -2.24 -0.88 -4.09 114.28 102.88 3b5m n THR 149 Ca 0.02 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 3b5m n THR 149 Cb 0.32 0.21 0.19 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.25 1.79 0.18 -0.78 1.74 -0.24 -4.81 116.66 114.30 3b5m n ARG 150 Ca 0.19 -3.39 0.06 0.00 -0.77 0.00 0.00 57.85 53.95 3b5m n ARG 150 Cb 0.29 -1.69 0.53 0.00 -1.02 0.00 0.00 32.46 30.56 3b5m n ARG 150 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3b5m h LEU 151 N 1.11 0.12 -0.02 0.55 3.38 -1.71 -0.17 115.31 118.57 3b5m h LEU 151 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b5m h LEU 151 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3b5m h LEU 151 CO 0.09 0.17 -0.04 0.00 0.09 0.00 0.00 178.44 178.75 3b5m n HIS 152 N -4.43 0.00 -0.02 1.13 1.44 -1.26 -4.23 115.22 107.85 3b5m n HIS 152 Ca -0.01 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.67 3b5m n HIS 152 Cb 0.16 -0.38 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 3b5m n HIS 152 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3b5m n LEU 153 N -1.37 2.03 -4.82 2.39 0.00 -0.51 -5.04 117.00 109.67 3b5m n LEU 153 Ca 0.10 -0.02 -0.32 0.00 0.00 0.00 0.00 56.01 55.77 3b5m n LEU 153 Cb 0.30 -0.09 -0.06 0.00 0.00 0.00 0.00 43.42 43.57 3b5m n LEU 153 CO 0.26 0.43 -0.23 -0.76 0.00 0.00 0.00 177.39 177.09 3b5m s LEU 154 N -4.96 4.00 0.36 -1.96 1.43 -0.19 -5.08 118.68 112.28 3b5m s LEU 154 Ca -0.05 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 3b5m s LEU 154 Cb 0.02 -2.49 -0.11 0.00 0.03 0.00 0.00 46.19 43.63 3b5m s LEU 154 CO 0.13 0.22 1.46 -2.16 0.23 0.00 0.00 176.35 176.23 3b5m s PRO 155 N -2.09 4.16 0.37 1.29 0.04 -1.26 -4.84 135.00 132.66 3b5m s PRO 155 Ca 0.27 2.50 0.15 0.00 0.04 0.00 0.00 61.00 63.97 3b5m s PRO 155 Cb -0.12 -2.99 1.00 0.00 0.04 0.00 0.00 34.50 32.43 3b5m s PRO 155 CO 0.19 -0.48 1.78 -1.00 0.04 0.00 0.00 177.00 177.53 3b5m h PRO 156 N 3.26 0.48 -0.04 0.56 0.13 -1.98 -0.55 132.00 133.86 3b5m h PRO 156 Ca -0.50 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3b5m h PRO 156 Cb 1.23 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3b5m h PRO 156 CO 0.66 0.32 -0.14 1.05 -0.23 0.00 0.00 178.00 179.65 3b5m h GLU 157 N 0.49 0.06 -0.05 0.86 9.09 -1.99 -1.41 114.58 121.62 3b5m h GLU 157 Ca 0.58 -0.01 -0.23 0.00 0.05 0.00 0.00 59.36 59.75 3b5m h GLU 157 Cb 1.31 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.41 3b5m h GLU 157 CO -0.32 0.20 -0.89 1.49 0.05 0.00 0.00 179.01 179.54 3b5m h GLU 158 N 0.05 0.59 0.06 1.06 4.81 -1.46 -1.40 114.58 118.28 3b5m h GLU 158 Ca 0.01 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3b5m h GLU 158 Cb 0.29 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3b5m h GLU 158 CO 0.02 1.18 -0.03 0.82 -0.73 0.00 0.00 179.01 180.27 3b5m h ILE 159 N 0.36 1.01 -0.83 2.32 1.08 -1.29 -2.18 117.51 117.99 3b5m h ILE 159 Ca -0.08 -0.21 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 3b5m h ILE 159 Cb 1.52 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 3b5m h ILE 159 CO 0.17 0.05 0.54 -0.08 -0.69 0.00 0.00 178.15 178.14 3b5m h GLU 160 N -0.17 0.92 -0.44 2.37 4.57 -1.18 -1.23 114.58 119.42 3b5m h GLU 160 Ca -0.01 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 3b5m h GLU 160 Cb 0.14 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3b5m h GLU 160 CO 0.01 0.61 -0.14 0.93 -1.18 0.00 0.00 179.01 179.23 3b5m h GLU 161 N 0.94 0.82 -0.57 1.92 4.39 -1.02 -0.79 114.58 120.27 3b5m h GLU 161 Ca 0.35 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3b5m h GLU 161 Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3b5m h GLU 161 CO -0.12 0.92 0.01 0.93 -1.16 0.00 0.00 179.01 179.59 3b5m h GLU 162 N 0.73 0.98 -0.53 2.33 4.39 -0.65 -0.43 114.58 121.41 3b5m h GLU 162 Ca 0.12 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3b5m h GLU 162 Cb 0.65 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3b5m h GLU 162 CO 0.05 0.96 0.01 -0.07 -1.16 0.00 0.00 179.01 178.79 3b5m h LEU 163 N 0.90 0.86 -0.43 1.33 3.38 -1.03 -1.59 115.31 118.72 3b5m h LEU 163 Ca 0.17 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3b5m h LEU 163 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3b5m h LEU 163 CO 0.03 0.91 -0.38 -0.08 0.09 0.00 0.00 178.44 179.01 3b5m h GLU 164 N 0.82 0.90 -0.83 1.13 4.57 -0.85 -0.43 114.58 119.90 3b5m h GLU 164 Ca 0.16 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 3b5m h GLU 164 Cb 0.48 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3b5m h GLU 164 CO 0.02 1.12 0.54 0.00 -1.18 0.00 0.00 179.01 179.51 3b5m h ARG 165 N 0.74 1.09 -0.50 1.92 3.08 -0.90 -1.92 114.38 117.88 3b5m h ARG 165 Ca 0.06 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3b5m h ARG 165 Cb 0.96 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3b5m h ARG 165 CO 0.09 0.73 -0.06 0.00 -1.07 0.00 0.00 179.97 179.66 3b5m h ALA 166 N 1.48 0.68 -0.44 0.04 0.00 -0.94 -1.79 119.26 118.29 3b5m h ALA 166 Ca 0.30 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3b5m h ALA 166 Cb -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3b5m h ALA 166 CO -0.06 0.54 0.18 -0.09 0.00 0.00 0.00 179.25 179.82 3b5m h ARG 167 N 0.78 0.35 -0.11 0.00 2.43 -0.51 0.10 114.38 117.42 3b5m h ARG 167 Ca 0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3b5m h ARG 167 Cb 0.60 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3b5m h ARG 167 CO 0.04 0.23 0.06 0.82 -1.51 0.00 0.00 179.97 179.61 3b5m h ILE 168 N 0.36 1.10 -0.73 1.20 2.04 -1.22 -1.08 117.51 119.17 3b5m h ILE 168 Ca 0.20 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3b5m h ILE 168 Cb 0.17 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3b5m h ILE 168 CO -0.19 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.34 3b5m h ALA 169 N 0.95 1.12 -0.29 1.87 0.00 -1.05 -1.58 119.26 120.28 3b5m h ALA 169 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3b5m h ALA 169 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3b5m h ALA 169 CO -0.01 0.63 -0.22 0.82 0.00 0.00 0.00 179.25 180.47 3b5m h ILE 170 N 1.06 1.30 -0.70 0.00 2.04 -0.82 -0.50 117.51 119.89 3b5m h ILE 170 Ca 0.24 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.79 3b5m h ILE 170 Cb 0.21 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3b5m h ILE 170 CO -0.02 0.44 0.41 -0.08 0.00 0.00 0.00 178.15 178.90 3b5m h GLU 171 N 0.41 0.75 -0.07 2.37 4.57 -1.02 0.12 114.58 121.71 3b5m h GLU 171 Ca 0.05 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.96 3b5m h GLU 171 Cb 0.77 -0.17 0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3b5m h GLU 171 CO 0.06 0.50 -0.87 0.87 -1.18 0.00 0.00 179.01 178.39 3b5m h LYS 172 N 0.77 0.71 0.00 1.92 1.57 -1.14 -3.41 116.57 116.99 3b5m h LYS 172 Ca 0.30 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3b5m h LYS 172 Cb 0.13 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3b5m h LYS 172 CO -0.16 1.27 0.00 0.25 -0.57 0.00 0.00 179.45 180.24 3b5m n THR 173 N -3.94 0.00 -2.55 -0.16 -2.24 -0.21 -5.11 114.28 100.07 3b5m n THR 173 Ca -0.09 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.28 3b5m n THR 173 Cb 0.79 1.24 0.04 0.00 -2.10 0.00 0.00 70.33 70.31 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 -0.22 1.72 0.13 3.38 0.00 0.02 -4.65 107.32 107.70 3b5m s GLY 174 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3b5m s GLY 174 CO 0.00 -0.80 0.03 0.61 0.00 0.00 0.00 173.10 172.93 3b5m n GLY 175 N -2.48 3.74 0.36 0.20 0.00 -1.26 -4.94 105.19 100.81 3b5m n GLY 175 Ca 0.07 -2.24 0.03 0.00 0.00 0.00 0.00 46.02 43.88 3b5m n GLY 175 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3b5m h GLU 176 N 0.00 1.08 -0.52 1.61 4.39 -1.99 -1.69 114.58 117.46 3b5m h GLU 176 Ca -0.10 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 3b5m h GLU 176 Cb 0.32 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3b5m h GLU 176 CO 0.16 0.71 0.19 -1.35 -1.16 0.00 0.00 179.01 177.56 3b5m h PRO 177 N 1.11 0.75 -0.01 2.33 0.11 -1.99 -0.70 132.00 133.60 3b5m h PRO 177 Ca 0.44 -0.12 -0.21 0.00 0.11 0.00 0.00 66.00 66.23 3b5m h PRO 177 Cb 0.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3b5m h PRO 177 CO -0.19 0.64 -0.87 0.93 -0.21 0.00 0.00 178.00 178.29 3b5m h GLU 178 N 0.74 0.33 -0.30 1.05 3.07 -1.81 -0.38 114.58 117.28 3b5m h GLU 178 Ca 0.18 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3b5m h GLU 178 Cb 0.18 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3b5m h GLU 178 CO -0.01 1.02 0.14 0.00 -1.40 0.00 0.00 179.01 178.76 3b5m h ARG 179 N 0.19 0.43 -0.74 2.33 3.08 -1.00 -2.02 114.38 116.66 3b5m h ARG 179 Ca -0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3b5m h ARG 179 Cb 1.49 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 3b5m h ARG 179 CO 0.14 0.42 0.42 1.49 -1.07 0.00 0.00 179.97 181.37 3b5m h GLU 180 N 0.35 1.02 -0.66 0.04 4.81 -1.03 -2.41 114.58 116.69 3b5m h GLU 180 Ca 0.10 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3b5m h GLU 180 Cb 0.13 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3b5m h GLU 180 CO -0.01 0.74 0.42 0.00 -0.73 0.00 0.00 179.01 179.43 3b5m h ALA 181 N 1.22 0.85 -0.48 2.92 0.00 -0.71 -1.21 119.26 121.84 3b5m h ALA 181 Ca 0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3b5m h ALA 181 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3b5m h ALA 181 CO -0.04 0.21 -0.05 1.25 0.00 0.00 0.00 179.25 180.62 3b5m h LEU 182 N 0.84 0.80 -0.64 0.00 5.85 -1.15 -0.87 115.31 120.14 3b5m h LEU 182 Ca 0.25 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3b5m h LEU 182 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3b5m h LEU 182 CO -0.08 0.89 0.37 1.56 -0.34 0.00 0.00 178.44 180.84 3b5m h GLN 183 N 0.75 0.67 -0.50 1.25 4.20 -0.90 0.25 115.11 120.83 3b5m h GLN 183 Ca 0.14 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 3b5m h GLN 183 Cb 0.52 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3b5m h GLN 183 CO 0.03 0.45 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.45 3b5m h LEU 184 N 0.69 0.93 -0.30 1.46 3.38 -0.74 -1.67 115.31 119.07 3b5m h LEU 184 Ca 0.27 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3b5m h LEU 184 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3b5m h LEU 184 CO -0.15 1.05 -0.07 0.40 0.09 0.00 0.00 178.44 179.76 3b5m h ILE 185 N 0.83 1.28 -0.96 1.22 2.04 -0.89 -1.76 117.51 119.28 3b5m h ILE 185 Ca 0.13 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3b5m h ILE 185 Cb 0.65 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3b5m h ILE 185 CO 0.05 0.35 0.64 0.03 0.00 0.00 0.00 178.15 179.22 3b5m h ARG 186 N 0.34 1.25 -0.64 2.37 3.08 -0.81 -1.18 114.38 118.79 3b5m h ARG 186 Ca 0.08 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3b5m h ARG 186 Cb 0.56 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3b5m h ARG 186 CO 0.03 0.83 0.35 -0.09 -1.07 0.00 0.00 179.97 180.02 3b5m h ARG 187 N 1.29 0.89 -0.70 0.04 2.43 -1.13 -0.96 114.38 116.24 3b5m h ARG 187 Ca 0.36 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3b5m h ARG 187 Cb -0.13 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 3b5m h ARG 187 CO -0.08 0.67 0.36 1.25 -1.51 0.00 0.00 179.97 180.66 3b5m h HIS 188 N 0.87 0.99 -0.56 2.20 2.76 -0.83 -0.78 115.15 119.80 3b5m h HIS 188 Ca 0.22 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 3b5m h HIS 188 Cb 0.04 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 3b5m h HIS 188 CO -0.01 0.72 -0.09 0.28 -1.30 0.00 0.00 177.93 177.53 3b5m h VAL 189 N 0.97 1.27 -0.03 5.26 2.07 -0.96 -2.08 116.25 122.74 3b5m h VAL 189 Ca 0.24 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3b5m h VAL 189 Cb 0.08 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3b5m h VAL 189 CO -0.03 0.45 0.00 0.03 0.02 0.00 0.00 177.57 178.04 3b5m h ARG 190 N 0.93 0.05 0.00 1.57 3.08 -0.94 -2.89 114.38 116.18 3b5m h ARG 190 Ca 0.15 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3b5m h ARG 190 Cb 0.66 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3b5m h ARG 190 CO 0.05 0.29 -0.11 0.93 -1.07 0.00 0.00 179.97 180.06 3b5m h GLU 191 N -0.20 0.00 0.00 0.04 5.08 -1.07 -2.18 114.58 116.24 3b5m h GLU 191 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3b5m h GLU 191 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3b5m h GLU 191 CO 0.00 0.11 -0.27 0.77 -1.00 0.00 0.00 179.01 178.62 3b5m h SER 192 N 0.00 0.00 0.22 1.42 0.02 -1.30 -3.19 113.55 110.73 3b5m h SER 192 Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3b5m h SER 192 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3b5m h SER 192 CO 0.01 0.26 -0.83 -1.28 -1.14 0.00 0.00 176.83 173.86 3b5m h SER 193 N 0.00 0.59 -0.02 3.07 0.87 -1.18 -3.52 113.55 113.36 3b5m h SER 193 Ca -0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3b5m h SER 193 Cb 1.20 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3b5m h SER 193 CO 0.03 1.19 0.00 2.30 -0.53 0.00 0.00 176.83 179.83