#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 3.91 -0.19 -3.43 1.43 -1.26 -4.81 118.68 114.32 3b5m s LEU 1 Ca 0.00 1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 54.86 3b5m s LEU 1 Cb 0.00 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 3b5m s LEU 1 CO 0.00 -0.62 0.13 -0.63 0.23 0.00 0.00 176.35 175.47 3b5m s ILE 2 N -2.01 5.42 -0.15 -0.59 1.01 -1.26 -1.44 121.20 122.18 3b5m s ILE 2 Ca 0.65 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 3b5m s ILE 2 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3b5m s ILE 2 CO 0.18 0.45 0.39 -0.22 0.00 0.00 0.00 174.94 175.75 3b5m s LEU 3 N 0.25 4.24 -0.66 2.97 2.96 -0.62 -4.99 118.68 122.84 3b5m s LEU 3 Ca 0.09 0.65 -0.26 0.00 -0.22 0.00 0.00 54.13 54.39 3b5m s LEU 3 Cb -0.11 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.08 3b5m s LEU 3 CO -0.01 0.02 1.13 -1.61 -1.32 0.00 0.00 176.35 174.56 3b5m s GLU 4 N 0.69 3.26 0.44 1.98 0.41 -1.26 -3.28 118.70 120.93 3b5m s GLU 4 Ca 0.21 -0.29 0.06 0.00 -0.41 0.00 0.00 54.97 54.54 3b5m s GLU 4 Cb -0.14 -4.14 -0.04 0.00 -1.78 0.00 0.00 34.13 28.03 3b5m s GLU 4 CO 0.07 -1.87 0.16 -1.54 -0.49 0.00 0.00 175.26 171.59 3b5m s SER 5 N 3.43 4.33 -0.09 -0.19 1.04 -0.02 -4.71 113.70 117.48 3b5m s SER 5 Ca 0.33 -1.22 0.01 0.00 0.48 0.00 0.00 55.95 55.54 3b5m s SER 5 Cb -0.11 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 3b5m s SER 5 CO 0.17 -0.64 -0.09 -0.76 0.98 0.00 0.00 173.24 172.89 3b5m s LEU 6 N -3.92 2.98 -0.10 2.42 1.43 -1.03 -1.89 118.68 118.58 3b5m s LEU 6 Ca 0.35 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3b5m s LEU 6 Cb 0.04 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3b5m s LEU 6 CO 0.19 0.29 -0.22 -0.69 0.23 0.00 0.00 176.35 176.15 3b5m s VAL 7 N -0.36 1.88 -0.10 -1.59 1.01 0.41 -0.60 120.40 121.04 3b5m s VAL 7 Ca 0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 3b5m s VAL 7 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3b5m s VAL 7 CO 0.02 0.52 0.15 0.42 0.00 0.00 0.00 175.10 176.21 3b5m s THR 8 N 0.43 5.49 0.16 3.92 -4.23 -0.41 -1.91 115.64 119.08 3b5m s THR 8 Ca -0.17 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 3b5m s THR 8 Cb -0.17 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 3b5m s THR 8 CO 0.07 0.58 0.13 0.42 -0.54 0.00 0.00 174.62 175.29 3b5m s THR 9 N -1.07 0.07 0.01 3.99 -4.23 -0.65 -1.35 115.64 112.41 3b5m s THR 9 Ca 0.17 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 3b5m s THR 9 Cb -0.12 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 3b5m s THR 9 CO 0.06 -0.32 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.83 3b5m s LEU 10 N -3.06 2.09 0.00 4.79 1.43 -1.26 -0.69 118.68 121.98 3b5m s LEU 10 Ca 0.26 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3b5m s LEU 10 Cb 0.06 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 45.15 3b5m s LEU 10 CO 0.04 0.26 0.27 -0.90 0.23 0.00 0.00 176.35 176.25 3b5m n ASP 11 N 2.24 0.16 0.26 2.29 5.68 -0.34 -4.77 116.55 122.07 3b5m n ASP 11 Ca -0.16 -1.18 0.14 0.00 -0.50 0.00 0.00 54.79 53.08 3b5m n ASP 11 Cb 0.52 -0.19 0.67 0.00 -1.14 0.00 0.00 41.12 40.98 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 -0.51 0.11 4.39 -1.97 -1.24 114.58 115.35 3b5m h GLU 12 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3b5m h GLU 12 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3b5m h GLU 12 CO 0.08 0.12 0.00 1.04 -1.16 0.00 0.00 179.01 179.08 3b5m n GLN 13 N -3.39 2.53 -0.79 2.33 3.00 -1.26 -4.95 117.38 114.85 3b5m n GLN 13 Ca -0.01 -2.34 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3b5m n GLN 13 Cb 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.02 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 1.54 0.79 3.74 1.08 0.00 -0.47 -5.03 105.19 106.84 3b5m n GLY 14 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 4.30 -0.03 1.61 0.52 -1.26 -4.67 118.95 119.21 3b5m s ARG 15 Ca 0.00 2.21 -0.23 0.00 -0.52 0.00 0.00 55.73 57.19 3b5m s ARG 15 Cb 0.00 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 3b5m s ARG 15 CO 0.00 -0.39 0.70 0.42 0.02 0.00 0.00 175.30 176.05 3b5m s ILE 16 N 0.25 4.96 -0.03 1.52 1.01 -1.26 -1.20 121.20 126.45 3b5m s ILE 16 Ca 0.60 1.46 0.06 0.00 0.00 0.00 0.00 60.65 62.77 3b5m s ILE 16 Cb -0.40 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 3b5m s ILE 16 CO 0.39 0.30 -0.20 0.21 0.00 0.00 0.00 174.94 175.64 3b5m s ASN 17 N 0.47 3.58 -0.12 3.58 2.47 0.13 -4.76 114.94 120.29 3b5m s ASN 17 Ca 0.37 -0.34 0.01 0.00 0.42 0.00 0.00 52.86 53.32 3b5m s ASN 17 Cb -0.18 -0.60 0.02 0.00 -1.45 0.00 0.00 41.25 39.03 3b5m s ASN 17 CO 0.19 0.33 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.55 3b5m s LEU 18 N -0.75 1.56 0.13 3.21 2.96 -1.26 -1.63 118.68 122.91 3b5m s LEU 18 Ca 0.11 -0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 3b5m s LEU 18 Cb -0.10 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.57 3b5m s LEU 18 CO 0.00 -0.04 0.39 0.00 -1.32 0.00 0.00 176.35 175.38 3b5m s ALA 19 N 1.33 -0.79 0.52 5.97 0.00 -0.80 -4.73 121.76 123.26 3b5m s ALA 19 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 3b5m s ALA 19 Cb -0.14 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 3b5m s ALA 19 CO -0.06 -0.65 1.18 -2.14 0.00 0.00 0.00 175.76 174.08 3b5m s PRO 20 N -3.83 3.41 -0.05 0.00 0.02 -1.26 -0.44 135.00 132.84 3b5m s PRO 20 Ca 0.05 1.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.72 3b5m s PRO 20 Cb 0.02 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3b5m s PRO 20 CO -0.10 -0.84 0.30 -1.17 -0.33 0.00 0.00 177.00 174.86 3b5m s LEU 21 N -3.54 0.89 -0.77 -5.54 2.96 -0.79 -4.80 118.68 107.09 3b5m s LEU 21 Ca 0.70 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 3b5m s LEU 21 Cb -0.28 1.15 0.23 0.00 0.50 0.00 0.00 46.19 47.79 3b5m s LEU 21 CO 0.33 -0.32 0.80 0.61 -1.32 0.00 0.00 176.35 176.45 3b5m n GLY 22 N 1.89 4.54 3.78 7.98 0.00 -1.26 -0.84 105.19 121.28 3b5m n GLY 22 Ca -0.19 -2.68 -0.36 0.00 0.00 0.00 0.00 46.02 42.79 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 -2.07 3.84 0.00 1.61 0.04 -1.21 -4.71 135.00 132.51 3b5m s PRO 23 Ca 0.33 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 3b5m s PRO 23 Cb 0.05 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3b5m s PRO 23 CO -0.06 -0.44 1.07 0.42 0.04 0.00 0.00 177.00 178.03 3b5m s ILE 24 N -1.71 4.56 -0.42 0.56 1.01 -0.47 -1.59 121.20 123.14 3b5m s ILE 24 Ca 0.64 1.84 -0.20 0.00 0.00 0.00 0.00 60.65 62.93 3b5m s ILE 24 Cb -0.23 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.08 3b5m s ILE 24 CO 0.28 0.12 0.59 -0.69 0.00 0.00 0.00 174.94 175.23 3b5m s VAL 25 N 1.24 4.90 -0.25 2.92 1.01 -0.52 -1.03 120.40 128.67 3b5m s VAL 25 Ca 0.54 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 3b5m s VAL 25 Cb -0.24 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3b5m s VAL 25 CO 0.27 -0.52 0.50 -0.76 0.00 0.00 0.00 175.10 174.59 3b5m s LEU 26 N 2.63 4.07 0.68 3.92 1.43 0.67 -4.20 118.68 127.88 3b5m s LEU 26 Ca 0.20 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 3b5m s LEU 26 Cb -0.15 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3b5m s LEU 26 CO 0.17 -0.26 1.19 -2.84 0.23 0.00 0.00 176.35 174.85 3b5m s PRO 27 N 2.15 2.51 0.82 1.29 0.02 -1.26 -1.34 135.00 139.18 3b5m s PRO 27 Ca 0.21 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 3b5m s PRO 27 Cb -0.16 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.57 3b5m s PRO 27 CO 0.09 -1.54 1.09 -1.25 -0.33 0.00 0.00 177.00 175.06 3b5m s PRO 28 N -3.76 1.85 0.31 5.54 0.04 -1.26 -4.66 135.00 133.05 3b5m s PRO 28 Ca 0.74 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3b5m s PRO 28 Cb -0.28 -1.87 0.50 0.00 0.04 0.00 0.00 34.50 32.89 3b5m s PRO 28 CO 0.41 -1.85 1.82 1.96 0.04 0.00 0.00 177.00 179.38 3b5m h GLN 29 N -1.27 0.60 -5.95 4.56 1.08 -1.94 -3.43 115.11 108.77 3b5m h GLN 29 Ca -0.47 -0.15 -0.69 0.00 -1.45 0.00 0.00 58.65 55.90 3b5m h GLN 29 Cb 1.26 -0.08 -0.30 0.00 -0.05 0.00 0.00 27.48 28.31 3b5m h GLN 29 CO 0.55 0.64 -0.85 -1.12 -0.95 0.00 0.00 178.83 177.10 3b5m s SER 30 N -6.71 3.32 0.06 1.46 0.01 -1.26 -5.10 113.70 105.48 3b5m s SER 30 Ca -0.08 -0.45 -0.36 0.00 1.31 0.00 0.00 55.95 56.37 3b5m s SER 30 Cb 0.15 -0.96 -0.16 0.00 0.21 0.00 0.00 66.02 65.27 3b5m s SER 30 CO 0.78 0.25 1.46 -2.65 0.41 0.00 0.00 173.24 173.49 3b5m n PRO 31 N 2.95 1.44 0.00 12.44 -0.02 -1.26 -1.28 135.00 149.28 3b5m n PRO 31 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3b5m n PRO 31 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3b5m n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b5m n GLY 32 N 2.99 1.39 3.78 -1.23 0.00 -1.26 -5.07 105.19 105.80 3b5m n GLY 32 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.22 1.62 0.31 -0.02 0.00 -0.40 -5.03 107.32 101.58 3b5m s GLY 33 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 3b5m s GLY 33 CO 0.00 0.26 1.01 1.08 0.00 0.00 0.00 173.10 175.45 3b5m s LEU 34 N -5.90 4.43 0.86 0.66 1.43 -1.26 -4.65 118.68 114.25 3b5m s LEU 34 Ca 0.62 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.62 3b5m s LEU 34 Cb -0.15 -3.84 0.11 0.00 0.03 0.00 0.00 46.19 42.34 3b5m s LEU 34 CO 0.55 -0.12 1.18 -2.16 0.23 0.00 0.00 176.35 176.02 3b5m s PRO 35 N -1.76 1.53 0.41 1.29 0.04 -1.26 -4.32 135.00 130.93 3b5m s PRO 35 Ca 0.48 0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.70 3b5m s PRO 35 Cb -0.25 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3b5m s PRO 35 CO 0.32 -1.90 0.31 -0.65 0.04 0.00 0.00 177.00 175.12 3b5m s GLN 36 N -5.52 2.43 0.05 4.56 -0.21 -0.45 -4.29 119.66 116.22 3b5m s GLN 36 Ca 0.64 -1.64 0.04 0.00 0.02 0.00 0.00 55.36 54.42 3b5m s GLN 36 Cb -0.11 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 3b5m s GLN 36 CO 0.51 -0.17 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.33 3b5m s PHE 37 N -2.51 1.09 -0.25 0.91 0.08 -0.36 -0.23 117.98 116.69 3b5m s PHE 37 Ca 0.46 -0.39 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 3b5m s PHE 37 Cb -0.01 -0.64 -0.00 0.00 -0.57 0.00 0.00 43.02 41.80 3b5m s PHE 37 CO 0.26 0.02 0.02 -1.17 -0.10 0.00 0.00 175.22 174.25 3b5m s LEU 38 N -1.30 3.32 -0.19 -0.37 2.96 -0.19 -0.79 118.68 122.13 3b5m s LEU 38 Ca -0.01 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 3b5m s LEU 38 Cb -0.08 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3b5m s LEU 38 CO 0.01 -0.08 0.12 -0.76 -1.32 0.00 0.00 176.35 174.32 3b5m s LEU 39 N 1.50 4.15 -0.56 -0.68 1.43 0.13 -1.36 118.68 123.28 3b5m s LEU 39 Ca 0.04 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3b5m s LEU 39 Cb -0.15 -2.06 0.27 0.00 0.03 0.00 0.00 46.19 44.27 3b5m s LEU 39 CO -0.00 0.21 0.72 0.54 0.23 0.00 0.00 176.35 178.04 3b5m n ARG 40 N 3.33 2.11 -1.36 1.70 1.74 -1.26 -0.18 116.66 122.74 3b5m n ARG 40 Ca -0.17 -4.29 -0.31 0.00 -0.77 0.00 0.00 57.85 52.32 3b5m n ARG 40 Cb 0.52 -1.98 0.09 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.29 2.19 -0.23 5.56 0.04 -1.26 -4.92 135.00 134.08 3b5m s PRO 41 Ca 0.40 0.97 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 3b5m s PRO 41 Cb 0.18 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 3b5m s PRO 41 CO -0.05 -1.63 0.78 -0.47 0.04 0.00 0.00 177.00 175.67 3b5m s TYR 42 N -2.98 3.33 0.09 0.56 5.04 -1.26 -4.37 117.35 117.75 3b5m s TYR 42 Ca 0.61 1.09 -0.36 0.00 -2.44 0.00 0.00 57.07 55.96 3b5m s TYR 42 Cb -0.16 -2.99 -0.16 0.00 0.35 0.00 0.00 41.96 38.99 3b5m s TYR 42 CO 0.56 -0.35 1.41 -1.91 -1.34 0.00 0.00 175.55 173.92 3b5m n GLU 43 N 5.78 1.38 0.00 4.97 4.07 -1.24 -1.64 120.64 133.96 3b5m n GLU 43 Ca 0.04 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 3b5m n GLU 43 Cb 0.48 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 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 2.80 1.90 3.77 8.31 0.00 -1.26 -5.05 105.19 115.66 3b5m n GLY 44 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.29 5.05 0.19 1.61 1.04 -0.65 -4.86 113.70 113.78 3b5m s SER 45 Ca 0.00 1.95 -0.12 0.00 0.48 0.00 0.00 55.95 58.26 3b5m s SER 45 Cb 0.00 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.72 3b5m s SER 45 CO 0.00 -1.67 1.83 0.74 0.98 0.00 0.00 173.24 175.12 3b5m h THR 46 N -0.18 1.08 -0.28 2.02 2.02 -1.96 -0.08 112.91 115.53 3b5m h THR 46 Ca -0.46 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 66.51 3b5m h THR 46 Cb 1.24 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3b5m h THR 46 CO 0.54 0.14 0.03 0.74 0.37 0.00 0.00 175.52 177.33 3b5m h THR 47 N 0.74 0.83 -0.33 3.16 2.02 -1.92 -0.40 112.91 117.01 3b5m h THR 47 Ca 0.24 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3b5m h THR 47 Cb 0.01 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3b5m h THR 47 CO -0.10 0.02 0.17 0.00 0.37 0.00 0.00 175.52 175.99 3b5m h ASP 49 N 0.41 0.10 -0.26 0.00 3.32 -0.77 -1.24 116.42 117.98 3b5m h ASP 49 Ca 0.12 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 3b5m h ASP 49 Cb 0.09 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3b5m h ASP 49 CO -0.02 0.08 -0.46 0.78 -1.72 0.00 0.00 179.24 177.91 3b5m h ASN 50 N 0.30 0.90 -0.55 6.45 2.35 -0.83 -1.83 115.58 122.36 3b5m h ASN 50 Ca 0.25 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3b5m h ASN 50 Cb 0.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3b5m h ASN 50 CO -0.29 1.21 0.29 -0.07 -1.65 0.00 0.00 177.43 176.92 3b5m h LEU 51 N 0.66 0.70 -0.73 1.61 3.38 -0.74 -0.10 115.31 120.09 3b5m h LEU 51 Ca 0.04 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3b5m h LEU 51 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3b5m h LEU 51 CO 0.10 0.61 -0.36 -0.07 0.09 0.00 0.00 178.44 178.82 3b5m h LEU 52 N 0.74 0.58 -0.00 1.67 3.38 -1.15 0.20 115.31 120.73 3b5m h LEU 52 Ca 0.19 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3b5m h LEU 52 Cb 0.08 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3b5m h LEU 52 CO -0.03 0.89 -0.64 0.00 0.09 0.00 0.00 178.44 178.75 3b5m h ALA 53 N 1.14 0.08 0.00 1.53 0.00 -1.20 -3.40 119.26 117.41 3b5m h ALA 53 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 3b5m h ALA 53 Cb 0.84 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3b5m h ALA 53 CO 0.07 0.38 -2.23 -1.13 0.00 0.00 0.00 179.25 176.34 3b5m n SER 54 N -4.19 0.80 0.00 0.00 3.41 -0.06 -5.00 113.62 108.58 3b5m n SER 54 Ca -0.10 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3b5m n SER 54 Cb 0.69 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 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 1.96 0.56 3.44 5.00 0.00 0.06 -4.95 105.19 111.26 3b5m n GLY 55 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.29 3.68 0.23 1.61 0.01 -1.26 -0.02 114.94 116.90 3b5m s ASN 56 Ca 0.00 -0.51 -0.22 0.00 -0.71 0.00 0.00 52.86 51.41 3b5m s ASN 56 Cb 0.00 -0.51 0.04 0.00 0.41 0.00 0.00 41.25 41.19 3b5m s ASN 56 CO 0.00 0.23 0.74 0.00 -1.51 0.00 0.00 177.10 176.56 3b5m s ALA 57 N -0.97 -1.37 -0.12 0.60 0.00 -1.05 -4.67 121.76 114.18 3b5m s ALA 57 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3b5m s ALA 57 Cb -0.10 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3b5m s ALA 57 CO 0.06 -0.98 -0.14 0.08 0.00 0.00 0.00 175.76 174.78 3b5m s VAL 58 N -3.77 1.47 -0.17 0.00 1.01 -0.46 -0.50 120.40 117.98 3b5m s VAL 58 Ca 0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3b5m s VAL 58 Cb -0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3b5m s VAL 58 CO 0.02 0.44 0.20 -0.63 0.00 0.00 0.00 175.10 175.12 3b5m s ILE 59 N 1.19 5.38 -0.07 2.22 1.01 -0.00 -1.29 121.20 129.63 3b5m s ILE 59 Ca -0.02 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.01 3b5m s ILE 59 Cb -0.14 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 3b5m s ILE 59 CO -0.05 0.46 -0.23 -1.00 0.00 0.00 0.00 174.94 174.12 3b5m s HIS 60 N 0.13 2.32 -0.26 3.97 3.76 0.23 -0.69 115.29 124.76 3b5m s HIS 60 Ca 0.12 -0.80 -0.24 0.00 -0.15 0.00 0.00 55.06 53.99 3b5m s HIS 60 Cb -0.12 -1.55 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 3b5m s HIS 60 CO 0.01 -0.29 0.82 0.08 -0.85 0.00 0.00 174.74 174.51 3b5m s VAL 61 N 0.10 4.83 0.07 -0.90 1.01 0.29 -2.47 120.40 123.33 3b5m s VAL 61 Ca -0.10 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.39 3b5m s VAL 61 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3b5m s VAL 61 CO 0.05 -0.11 -0.10 0.27 0.00 0.00 0.00 175.10 175.22 3b5m s ILE 62 N 2.86 0.82 -1.08 2.22 -0.00 -1.26 -0.93 121.20 123.83 3b5m s ILE 62 Ca 0.34 -1.38 0.17 0.00 -0.00 0.00 0.00 60.65 59.78 3b5m s ILE 62 Cb -0.15 -1.04 0.59 0.00 -0.00 0.00 0.00 42.46 41.86 3b5m s ILE 62 CO 0.08 -0.44 1.51 -0.90 -0.00 0.00 0.00 174.94 175.19 3b5m n ASP 63 N 1.01 4.12 -4.39 4.36 5.68 -1.26 -4.87 116.55 121.19 3b5m n ASP 63 Ca -0.19 -2.35 -0.45 0.00 -0.50 0.00 0.00 54.79 51.29 3b5m n ASP 63 Cb 0.56 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 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 -1.08 7.00 0.38 -1.12 -1.08 -1.26 -4.83 116.67 114.68 3b5m s ASP 64 Ca 0.43 -2.94 0.12 0.00 -0.52 0.00 0.00 52.55 49.64 3b5m s ASP 64 Cb 0.27 -2.30 0.77 0.00 -1.46 0.00 0.00 42.92 40.20 3b5m s ASP 64 CO 0.22 -0.63 1.87 0.00 0.52 0.00 0.00 175.17 177.15 3b5m h ALA 65 N 7.46 1.45 -0.49 3.66 0.00 -1.90 -2.61 119.26 126.83 3b5m h ALA 65 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3b5m h ALA 65 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3b5m h ALA 65 CO 1.04 0.40 0.33 1.25 0.00 0.00 0.00 179.25 182.26 3b5m h LEU 66 N 0.07 0.57 -0.56 0.00 5.85 -1.88 -0.30 115.31 119.07 3b5m h LEU 66 Ca 0.01 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 3b5m h LEU 66 Cb 0.53 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3b5m h LEU 66 CO 0.04 0.41 -0.46 0.25 -0.34 0.00 0.00 178.44 178.35 3b5m h LEU 67 N 0.67 0.69 -0.19 2.25 5.85 -1.90 0.20 115.31 122.88 3b5m h LEU 67 Ca 0.18 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3b5m h LEU 67 Cb -0.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3b5m h LEU 67 CO -0.04 1.05 -0.07 0.40 -0.34 0.00 0.00 178.44 179.44 3b5m h ILE 68 N 0.51 0.76 -0.36 4.05 2.04 -1.28 -1.37 117.51 121.87 3b5m h ILE 68 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3b5m h ILE 68 Cb 0.99 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3b5m h ILE 68 CO 0.09 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.42 3b5m h ALA 69 N 1.15 0.44 -0.59 1.87 0.00 -0.53 -0.15 119.26 121.45 3b5m h ALA 69 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3b5m h ALA 69 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3b5m h ALA 69 CO -0.22 -0.20 0.37 0.87 0.00 0.00 0.00 179.25 180.07 3b5m h LYS 70 N 0.36 0.78 0.00 0.00 1.57 -0.81 -2.11 116.57 116.36 3b5m h LYS 70 Ca 0.15 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3b5m h LYS 70 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3b5m h LYS 70 CO -0.11 0.55 -0.05 1.79 -0.57 0.00 0.00 179.45 181.06 3b5m h THR 71 N 0.79 0.00 -0.09 -0.16 1.35 -1.01 -2.03 112.91 111.77 3b5m h THR 71 Ca 0.21 -0.60 -0.19 0.00 -0.55 0.00 0.00 66.41 65.28 3b5m h THR 71 Cb -0.05 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3b5m h THR 71 CO -0.04 0.00 -0.75 0.00 -0.25 0.00 0.00 175.52 174.48 3b5m h ALA 72 N 2.40 0.53 0.00 6.62 0.00 -0.59 -3.36 119.26 124.87 3b5m h ALA 72 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3b5m h ALA 72 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3b5m h ALA 72 CO 0.00 0.75 -0.99 0.44 0.00 0.00 0.00 179.25 179.44 3b5m n ILE 73 N -3.86 0.00 -3.79 0.00 -5.35 -0.83 -4.88 119.36 100.65 3b5m n ILE 73 Ca -0.05 -0.02 -0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3b5m n ILE 73 Cb 0.72 0.91 0.01 0.00 -1.74 0.00 0.00 39.64 39.54 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 1.49 0.70 3.73 3.28 0.00 -0.78 -5.09 105.19 108.51 3b5m n GLY 74 Ca 0.04 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.02 4.44 -0.14 1.61 2.20 -1.26 -4.21 119.74 120.36 3b5m s LYS 75 Ca 0.14 0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 56.64 3b5m s LYS 75 Cb -0.01 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3b5m s LYS 75 CO 0.02 0.13 -0.07 0.08 -0.36 0.00 0.00 175.35 175.15 3b5m s VAL 76 N 0.56 3.66 -0.43 4.02 1.01 -1.26 -5.01 120.40 122.95 3b5m s VAL 76 Ca 0.37 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 3b5m s VAL 76 Cb -0.18 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3b5m s VAL 76 CO 0.19 0.52 1.52 -0.62 0.00 0.00 0.00 175.10 176.71 3b5m s ASP 77 N 0.19 6.14 0.00 3.32 -1.08 -1.26 -4.68 116.67 119.31 3b5m s ASP 77 Ca -0.04 0.82 0.19 0.00 -0.52 0.00 0.00 52.55 53.00 3b5m s ASP 77 Cb -0.14 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 3b5m s ASP 77 CO 0.03 -1.59 1.45 0.00 0.52 0.00 0.00 175.17 175.58 3b5m n ALA 78 N 9.49 2.41 -0.24 3.66 0.00 -1.26 -4.56 120.51 130.01 3b5m n ALA 78 Ca 0.17 -1.03 0.04 0.00 0.00 0.00 0.00 53.44 52.62 3b5m n ALA 78 Cb 0.48 -0.95 0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 3.61 0.17 -0.29 0.00 0.02 -1.92 -0.32 113.55 114.83 3b5m h SER 79 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3b5m h SER 79 Cb 0.82 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3b5m h SER 79 CO 0.00 0.06 0.00 -0.67 -1.14 0.00 0.00 176.83 175.08 3b5m n ASP 80 N -5.05 2.32 -0.01 3.07 2.03 -1.26 -3.92 116.55 113.74 3b5m n ASP 80 Ca 0.13 -1.85 0.11 0.00 0.52 0.00 0.00 54.79 53.69 3b5m n ASP 80 Cb 0.39 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.45 3b5m n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3b5m n LEU 81 N 0.76 0.40 -4.33 -2.67 4.77 -0.14 -5.01 117.00 110.77 3b5m n LEU 81 Ca 0.17 -0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 3b5m n LEU 81 Cb 0.42 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3b5m n LEU 81 CO 0.13 0.10 -0.39 0.68 -1.33 0.00 0.00 177.39 176.58 3b5m s VAL 82 N -3.31 1.39 0.01 4.08 -7.23 -1.13 -1.31 120.40 112.90 3b5m s VAL 82 Ca -0.02 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.06 3b5m s VAL 82 Cb 0.15 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 3b5m s VAL 82 CO 0.89 -0.50 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.44 3b5m s VAL 83 N -3.19 0.36 0.52 1.32 1.01 -0.03 -4.90 120.40 115.50 3b5m s VAL 83 Ca 0.24 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 3b5m s VAL 83 Cb 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 3b5m s VAL 83 CO 0.07 -0.05 1.29 -2.65 0.00 0.00 0.00 175.10 173.77 3b5m n PRO 84 N 2.56 1.66 -3.08 2.72 -0.02 -1.26 -1.05 135.00 136.53 3b5m n PRO 84 Ca -0.16 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 3b5m n PRO 84 Cb 0.57 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.96 0.26 4.25 1.01 -0.80 -4.85 121.20 124.73 3b5m s ILE 85 Ca 0.70 1.19 -0.31 0.00 0.00 0.00 0.00 60.65 62.23 3b5m s ILE 85 Cb -0.44 -3.96 -0.13 0.00 0.01 0.00 0.00 42.46 37.94 3b5m s ILE 85 CO 0.51 0.01 1.48 -2.65 0.00 0.00 0.00 174.94 174.28 3b5m n PRO 86 N 5.76 2.27 0.00 2.79 -0.02 -1.26 -0.18 135.00 144.36 3b5m n PRO 86 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3b5m n PRO 86 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.20 3.28 0.93 -1.23 0.00 -1.26 -4.76 105.19 104.36 3b5m n GLY 87 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 1.17 0.22 0.99 4.77 0.74 -4.94 117.00 119.95 3b5m n LEU 88 Ca 0.00 -2.18 0.15 0.00 -0.03 0.00 0.00 56.01 53.95 3b5m n LEU 88 Cb 0.00 -0.14 0.62 0.00 -2.33 0.00 0.00 43.42 41.58 3b5m n LEU 88 CO 0.00 0.61 0.94 1.05 -1.33 0.00 0.00 177.39 178.66 3b5m h GLU 89 N 0.63 0.00 -0.00 3.23 9.09 -1.42 -0.88 114.58 125.23 3b5m h GLU 89 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 3b5m h GLU 89 Cb 1.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 3b5m h GLU 89 CO 0.05 0.00 -0.49 -0.25 0.05 0.00 0.00 179.01 178.37 3b5m n ASP 90 N -2.71 0.90 0.00 3.06 8.00 -1.26 -4.58 116.55 119.96 3b5m n ASP 90 Ca 0.01 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3b5m n ASP 90 Cb 0.26 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.07 0.00 -4.07 -3.53 -2.24 -0.45 -5.06 114.28 97.85 3b5m n THR 91 Ca 0.08 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.70 3b5m n THR 91 Cb 0.35 0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.38 0.03 4.78 3.76 -0.54 -4.76 115.29 117.54 3b5m s HIS 92 Ca 0.00 -0.07 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 3b5m s HIS 92 Cb 0.00 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 3b5m s HIS 92 CO 0.00 -0.04 -0.17 0.14 -0.85 0.00 0.00 174.74 173.82 3b5m s VAL 93 N 0.15 1.34 0.16 -0.90 -7.23 -1.26 -1.91 120.40 110.76 3b5m s VAL 93 Ca -0.01 -0.98 0.11 0.00 -1.81 0.00 0.00 61.98 59.29 3b5m s VAL 93 Cb -0.04 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3b5m s VAL 93 CO -0.00 0.17 -0.24 0.00 -0.31 0.00 0.00 175.10 174.71 3b5m s ARG 94 N -0.94 1.43 0.31 4.82 1.70 -0.21 -4.66 118.95 121.39 3b5m s ARG 94 Ca 0.05 -1.43 -0.29 0.00 -0.47 0.00 0.00 55.73 53.58 3b5m s ARG 94 Cb -0.08 -1.79 -0.11 0.00 -0.57 0.00 0.00 34.95 32.41 3b5m s ARG 94 CO 0.01 0.40 1.55 -0.51 -1.08 0.00 0.00 175.30 175.66 3b5m s LEU 95 N -2.42 4.34 0.23 -1.89 1.43 -1.26 -0.85 118.68 118.26 3b5m s LEU 95 Ca 0.17 2.94 -0.02 0.00 -1.03 0.00 0.00 54.13 56.20 3b5m s LEU 95 Cb -0.09 -3.64 0.25 0.00 0.03 0.00 0.00 46.19 42.74 3b5m s LEU 95 CO 0.08 -0.88 1.64 0.11 0.23 0.00 0.00 176.35 177.53 3b5m h LYS 96 N 4.37 0.63 -4.73 1.70 1.57 -1.55 -3.41 116.57 115.15 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 1.22 -0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.23 3b5m h LYS 96 CO 0.75 0.85 -0.63 1.03 -0.57 0.00 0.00 179.45 180.88 3b5m s ARG 97 N -4.45 2.69 0.16 3.15 1.81 -1.26 -4.93 118.95 116.12 3b5m s ARG 97 Ca -0.08 -1.12 -0.25 0.00 -1.72 0.00 0.00 55.73 52.56 3b5m s ARG 97 Cb 0.13 -3.38 0.06 0.00 -0.45 0.00 0.00 34.95 31.31 3b5m s ARG 97 CO 0.82 -0.60 0.91 0.00 -0.68 0.00 0.00 175.30 175.75 3b5m h HIS 99 N 2.00 0.20 -3.03 0.00 2.76 -1.20 -0.24 115.15 115.64 3b5m h HIS 99 Ca -0.23 -0.15 -0.12 0.00 -2.20 0.00 0.00 60.37 57.67 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 0.38 1.31 -0.27 0.50 -1.30 0.00 0.00 177.93 178.54 3b5m s ARG 100 N -2.35 0.67 0.04 5.26 3.52 -1.05 -0.75 118.95 124.29 3b5m s ARG 100 Ca -0.21 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 3b5m s ARG 100 Cb 0.02 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3b5m s ARG 100 CO 0.71 -0.18 -0.07 1.67 -0.81 0.00 0.00 175.30 176.62 3b5m s TRP 101 N -1.32 0.58 -0.17 5.12 1.48 -0.46 -0.54 118.94 123.63 3b5m s TRP 101 Ca -0.14 -0.53 -0.02 0.00 -1.06 0.00 0.00 56.10 54.35 3b5m s TRP 101 Cb -0.05 -0.36 0.05 0.00 -1.16 0.00 0.00 33.47 31.95 3b5m s TRP 101 CO 0.04 -0.12 0.01 -0.06 -4.06 0.00 0.00 176.95 172.77 3b5m s PHE 102 N -1.52 1.08 -0.14 1.66 0.08 0.14 -1.83 117.98 117.45 3b5m s PHE 102 Ca -0.10 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 55.93 3b5m s PHE 102 Cb -0.09 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 3b5m s PHE 102 CO -0.00 -0.56 0.81 0.00 -0.10 0.00 0.00 175.22 175.37 3b5m s ALA 103 N 1.84 3.46 0.27 5.36 0.00 0.30 -0.82 121.76 132.16 3b5m s ALA 103 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.11 3b5m s ALA 103 Cb -0.16 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3b5m s ALA 103 CO -0.07 -0.52 -0.08 0.14 0.00 0.00 0.00 175.76 175.23 3b5m s VAL 104 N 1.82 1.71 -0.02 0.00 -7.23 0.34 0.10 120.40 117.12 3b5m s VAL 104 Ca 0.39 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3b5m s VAL 104 Cb -0.17 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.43 3b5m s VAL 104 CO 0.14 -0.36 0.03 -0.60 -0.31 0.00 0.00 175.10 174.00 3b5m s ARG 105 N -3.70 -0.03 0.11 4.82 3.52 -0.21 -2.52 118.95 120.95 3b5m s ARG 105 Ca 0.28 0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 55.76 3b5m s ARG 105 Cb 0.02 -0.26 -0.08 0.00 -1.56 0.00 0.00 34.95 33.07 3b5m s ARG 105 CO 0.11 -0.17 1.51 0.08 -0.81 0.00 0.00 175.30 176.02 3b5m s VAL 106 N 1.09 3.06 -0.08 7.11 1.01 0.96 -1.26 120.40 132.30 3b5m s VAL 106 Ca -0.09 0.69 0.15 0.00 0.00 0.00 0.00 61.98 62.72 3b5m s VAL 106 Cb -0.13 -3.44 -0.22 0.00 0.00 0.00 0.00 36.38 32.59 3b5m s VAL 106 CO -0.03 0.03 0.34 0.35 0.00 0.00 0.00 175.10 175.80 3b5m n THR 107 N 4.21 0.00 -3.74 3.92 -2.24 0.71 -4.92 114.28 112.22 3b5m n THR 107 Ca 0.13 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 3b5m n THR 107 Cb 0.41 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.95 0.36 -0.14 -0.78 0.74 -1.16 -4.99 119.66 110.74 3b5m s GLN 108 Ca -0.04 0.55 -0.02 0.00 0.05 0.00 0.00 55.36 55.89 3b5m s GLN 108 Cb 0.09 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 3b5m s GLN 108 CO 0.60 -0.09 -0.08 1.03 -0.55 0.00 0.00 175.29 176.20 3b5m s ARG 109 N 0.61 3.52 0.16 1.67 1.81 -1.26 -1.13 118.95 124.32 3b5m s ARG 109 Ca -0.04 -0.60 -0.00 0.00 -1.72 0.00 0.00 55.73 53.37 3b5m s ARG 109 Cb -0.05 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 3b5m s ARG 109 CO -0.04 0.24 0.21 0.00 -0.68 0.00 0.00 175.30 175.03 3b5m n ALA 110 N 3.50 -0.12 0.00 2.13 0.00 -0.01 -5.02 120.51 120.99 3b5m n ALA 110 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3b5m n ALA 110 Cb 0.53 0.59 0.00 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.26 -0.30 3.52 0.00 0.00 -1.26 -0.69 105.19 106.20 3b5m n GLY 111 Ca 0.01 -1.65 -0.36 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 -3.00 4.52 0.23 2.61 2.01 -1.12 -4.83 115.64 116.06 3b5m s THR 112 Ca 0.00 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 3b5m s THR 112 Cb 0.00 -3.08 -0.14 0.00 0.01 0.00 0.00 72.50 69.29 3b5m s THR 112 CO 0.00 0.38 1.32 -2.65 -0.69 0.00 0.00 174.62 172.99 3b5m n PRO 113 N 4.37 1.81 -0.12 4.92 -0.02 -1.26 -0.58 135.00 144.12 3b5m n PRO 113 Ca -0.16 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 3b5m n PRO 113 Cb 0.52 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.61 -3.50 0.52 -0.04 -1.26 -5.04 135.00 129.09 3b5m n PRO 114 Ca 0.12 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.22 3b5m n PRO 114 Cb 0.30 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.70 2.97 0.25 0.54 1.81 0.25 -3.72 118.95 119.35 3b5m s ARG 115 Ca 0.22 -2.25 -0.22 0.00 -1.72 0.00 0.00 55.73 51.76 3b5m s ARG 115 Cb 0.12 -4.09 -0.09 0.00 -0.45 0.00 0.00 34.95 30.44 3b5m s ARG 115 CO 0.16 -1.24 0.80 -1.01 -0.68 0.00 0.00 175.30 173.33 3b5m s HIS 116 N 0.51 3.69 -0.25 -0.53 3.76 -1.26 -2.78 115.29 118.44 3b5m s HIS 116 Ca 0.13 1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 56.57 3b5m s HIS 116 Cb -0.19 -2.73 0.07 0.00 1.11 0.00 0.00 32.58 30.85 3b5m s HIS 116 CO -0.04 0.32 0.03 -2.00 -0.85 0.00 0.00 174.74 172.19 3b5m s GLU 117 N -1.91 1.01 -0.18 1.40 2.12 0.13 -4.15 118.70 117.12 3b5m s GLU 117 Ca 0.44 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 3b5m s GLU 117 Cb -0.18 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.93 3b5m s GLU 117 CO 0.22 -0.74 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.57 3b5m s LEU 118 N 1.60 2.56 -0.00 2.70 1.43 0.74 -0.83 118.68 126.87 3b5m s LEU 118 Ca 0.01 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3b5m s LEU 118 Cb -0.18 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3b5m s LEU 118 CO -0.12 0.03 0.68 -0.89 0.23 0.00 0.00 176.35 176.28 3b5m s THR 119 N 1.14 4.89 0.00 5.49 2.01 -0.29 0.18 115.64 129.06 3b5m s THR 119 Ca 0.01 1.43 0.04 0.00 0.31 0.00 0.00 61.69 63.48 3b5m s THR 119 Cb -0.14 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 3b5m s THR 119 CO -0.04 0.35 -0.11 0.00 -0.69 0.00 0.00 174.62 174.13 3b5m s ALA 120 N 0.13 0.94 0.23 7.40 0.00 0.03 -0.21 121.76 130.29 3b5m s ALA 120 Ca 0.35 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.86 3b5m s ALA 120 Cb -0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3b5m s ALA 120 CO 0.19 0.22 0.01 -0.98 0.00 0.00 0.00 175.76 175.20 3b5m s ARG 121 N -0.44 2.38 -0.07 0.00 1.70 -0.39 -1.23 118.95 120.91 3b5m s ARG 121 Ca 0.03 -1.27 -0.25 0.00 -0.47 0.00 0.00 55.73 53.77 3b5m s ARG 121 Cb -0.05 -2.27 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 3b5m s ARG 121 CO -0.00 0.40 0.78 0.00 -1.08 0.00 0.00 175.30 175.41 3b5m n LEU 123 N 4.06 0.76 -3.54 0.00 4.77 0.11 -4.96 117.00 118.20 3b5m n LEU 123 Ca 0.01 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 3b5m n LEU 123 Cb 0.51 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3b5m n LEU 123 CO 0.48 0.28 0.73 0.00 -1.33 0.00 0.00 177.39 177.55 3b5m s ALA 124 N -2.76 -1.88 0.15 -1.18 0.00 -1.18 -5.01 121.76 109.90 3b5m s ALA 124 Ca -0.04 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3b5m s ALA 124 Cb 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.17 3b5m s ALA 124 CO 0.82 -0.52 0.52 0.45 0.00 0.00 0.00 175.76 177.03 3b5m s SER 125 N -1.87 -0.40 0.02 0.00 0.15 -1.26 -0.54 113.70 109.80 3b5m s SER 125 Ca 0.02 -0.19 -0.28 0.00 0.70 0.00 0.00 55.95 56.20 3b5m s SER 125 Cb -0.01 0.55 0.10 0.00 -1.71 0.00 0.00 66.02 64.95 3b5m s SER 125 CO -0.04 -0.94 0.91 -0.83 1.20 0.00 0.00 173.24 173.54 3b5m s GLY 126 N -2.79 -0.42 -0.00 9.45 0.00 -0.76 -4.99 107.32 107.80 3b5m s GLY 126 Ca 0.03 0.85 -0.04 0.00 0.00 0.00 0.00 44.72 45.57 3b5m s GLY 126 CO -0.11 0.27 0.20 1.08 0.00 0.00 0.00 173.10 174.55 3b5m s LEU 127 N -2.57 4.37 0.00 0.66 1.43 -1.26 -1.35 118.68 119.95 3b5m s LEU 127 Ca 0.06 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3b5m s LEU 127 Cb -0.01 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.57 3b5m s LEU 127 CO -0.07 0.26 0.00 0.52 0.23 0.00 0.00 176.35 177.29 3b5m n VAL 128 N 0.97 0.00 -3.68 -1.59 0.31 0.07 -4.97 118.33 109.44 3b5m n VAL 128 Ca -0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 3b5m n VAL 128 Cb 0.53 -0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.76 4.52 1.01 -0.10 -4.99 116.67 125.24 3b5m s ASP 129 Ca 0.00 0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.50 3b5m s ASP 129 Cb 0.00 -2.00 0.06 0.00 1.01 0.00 0.00 42.92 41.98 3b5m s ASP 129 CO 0.00 -0.07 1.24 -2.84 0.21 0.00 0.00 175.17 173.71 3b5m s PRO 130 N -3.45 1.88 -0.09 8.23 0.02 -1.26 -4.18 135.00 136.15 3b5m s PRO 130 Ca 0.38 1.86 -0.17 0.00 0.02 0.00 0.00 61.00 63.10 3b5m s PRO 130 Cb -0.11 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 3b5m s PRO 130 CO 0.30 -2.05 0.43 0.12 -0.33 0.00 0.00 177.00 175.46 3b5m s PHE 131 N -1.91 3.56 0.17 6.54 5.36 -1.26 -4.81 117.98 125.63 3b5m s PHE 131 Ca 0.76 0.87 -0.15 0.00 -0.96 0.00 0.00 56.93 57.45 3b5m s PHE 131 Cb -0.32 -2.45 0.12 0.00 -0.34 0.00 0.00 43.02 40.03 3b5m s PHE 131 CO 0.47 0.31 1.71 0.35 -1.46 0.00 0.00 175.22 176.60 3b5m h PHE 132 N 6.17 0.05 0.00 10.12 3.57 -1.94 -3.49 116.94 131.42 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 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3b5m h PHE 132 CO 0.64 -0.04 0.00 0.41 -2.23 0.00 0.00 178.31 177.09 3b5m n GLY 133 N -1.27 0.74 3.72 2.40 0.00 -1.26 -5.03 105.19 104.49 3b5m n GLY 133 Ca 0.03 -2.26 -0.43 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 -0.35 2.70 -3.68 1.61 3.72 -1.26 -4.99 117.46 115.22 3b5m n PHE 134 Ca 0.00 0.09 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 3b5m n PHE 134 Cb 0.00 -2.65 -0.14 0.00 -0.94 0.00 0.00 39.48 35.75 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 1.05 0.46 0.36 4.37 3.84 -1.26 -5.05 114.94 118.71 3b5m s ASN 135 Ca 0.74 0.44 0.10 0.00 0.21 0.00 0.00 52.86 54.35 3b5m s ASN 135 Cb -0.53 0.43 0.69 0.00 -0.55 0.00 0.00 41.25 41.29 3b5m s ASN 135 CO 0.35 -0.23 1.84 0.03 -2.79 0.00 0.00 177.10 176.30 3b5m h ARG 136 N 8.15 0.17 -0.22 0.43 3.08 -1.89 -1.73 114.38 122.37 3b5m h ARG 136 Ca -0.18 -0.06 -0.03 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 31.15 3b5m h ARG 136 CO 0.18 0.43 0.02 0.00 -1.07 0.00 0.00 179.97 179.54 3b5m h ALA 137 N 1.57 0.29 -0.85 0.04 0.00 -1.83 -1.09 119.26 117.39 3b5m h ALA 137 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3b5m h ALA 137 Cb 0.56 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3b5m h ALA 137 CO 0.04 -0.02 0.55 0.87 0.00 0.00 0.00 179.25 180.69 3b5m h LYS 138 N 0.15 1.05 -0.72 0.00 1.57 -1.82 -0.30 116.57 116.51 3b5m h LYS 138 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3b5m h LYS 138 Cb 0.35 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3b5m h LYS 138 CO 0.01 0.69 0.33 0.45 -0.57 0.00 0.00 179.45 180.36 3b5m h HIS 139 N 1.08 1.06 0.00 -1.35 3.86 -1.13 -1.97 115.15 116.71 3b5m h HIS 139 Ca 0.34 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.37 3b5m h HIS 139 Cb -0.01 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 3b5m h HIS 139 CO -0.02 0.79 -0.55 0.00 0.86 0.00 0.00 177.93 179.01 3b5m h ALA 140 N 1.16 0.92 -0.69 2.45 0.00 -0.68 -2.52 119.26 119.90 3b5m h ALA 140 Ca 0.25 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3b5m h ALA 140 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3b5m h ALA 140 CO -0.03 0.69 0.28 0.28 0.00 0.00 0.00 179.25 180.47 3b5m h VAL 141 N 0.00 1.24 -0.39 0.00 2.07 -0.71 -0.32 116.25 118.14 3b5m h VAL 141 Ca -0.01 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3b5m h VAL 141 Cb 1.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3b5m h VAL 141 CO 0.07 0.30 0.24 0.40 0.02 0.00 0.00 177.57 178.60 3b5m h ILE 142 N 0.97 1.05 -0.42 4.57 2.04 -1.10 0.45 117.51 125.08 3b5m h ILE 142 Ca 0.23 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 3b5m h ILE 142 Cb 0.20 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3b5m h ILE 142 CO -0.02 0.09 -0.09 -0.33 0.00 0.00 0.00 178.15 177.80 3b5m h GLU 143 N 0.48 0.74 -0.45 2.37 4.39 -1.13 -1.23 114.58 119.75 3b5m h GLU 143 Ca 0.15 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 3b5m h GLU 143 Cb -0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3b5m h GLU 143 CO -0.06 0.81 -0.23 0.00 -1.16 0.00 0.00 179.01 178.36 3b5m h ALA 144 N 1.23 0.75 -0.59 3.43 0.00 -0.72 -1.97 119.26 121.39 3b5m h ALA 144 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3b5m h ALA 144 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3b5m h ALA 144 CO 0.03 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.06 3b5m h ALA 145 N 0.94 0.78 -0.46 0.00 0.00 -0.59 -0.31 119.26 119.61 3b5m h ALA 145 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3b5m h ALA 145 Cb 0.79 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3b5m h ALA 145 CO 0.07 0.51 0.26 0.28 0.00 0.00 0.00 179.25 180.36 3b5m h VAL 146 N 0.86 1.02 -0.58 0.00 2.07 -1.13 -2.44 116.25 116.05 3b5m h VAL 146 Ca 0.18 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3b5m h VAL 146 Cb 0.39 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3b5m h VAL 146 CO 0.01 0.09 0.08 0.00 0.02 0.00 0.00 177.57 177.77 3b5m h ALA 147 N 1.22 1.04 0.00 1.67 0.00 -0.99 -2.26 119.26 119.94 3b5m h ALA 147 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3b5m h ALA 147 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3b5m h ALA 147 CO -0.10 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3b5m h ALA 148 N 1.19 1.00 -0.07 0.00 0.00 -0.74 -1.05 119.26 119.59 3b5m h ALA 148 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3b5m h ALA 148 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3b5m h ALA 148 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 3b5m n THR 149 N -2.72 0.09 -2.16 0.00 -2.24 -0.85 -4.21 114.28 102.18 3b5m n THR 149 Ca 0.01 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 3b5m n THR 149 Cb 0.24 0.13 0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.14 1.47 0.26 -0.78 1.74 -0.40 -4.83 116.66 113.99 3b5m n ARG 150 Ca 0.17 -3.08 0.12 0.00 -0.77 0.00 0.00 57.85 54.28 3b5m n ARG 150 Cb 0.24 -1.22 0.72 0.00 -1.02 0.00 0.00 32.46 31.18 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 1.47 0.00 -0.76 0.55 -0.00 -1.73 -0.94 115.31 113.91 3b5m h LEU 151 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3b5m h LEU 151 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 3b5m h LEU 151 CO 0.20 0.11 -0.02 0.00 -0.00 0.00 0.00 178.44 178.72 3b5m n HIS 152 N -3.84 0.00 0.00 1.13 1.44 -1.26 -4.07 115.22 108.62 3b5m n HIS 152 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3b5m n HIS 152 Cb 0.21 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.30 3b5m n HIS 152 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3b5m n LEU 153 N -0.11 0.00 -4.13 2.39 4.77 -0.46 -5.06 117.00 114.40 3b5m n LEU 153 Ca 0.19 -0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 3b5m n LEU 153 Cb 0.31 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 3b5m n LEU 153 CO 0.18 0.00 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.02 3b5m s LEU 154 N -1.79 2.15 0.67 2.23 1.43 -0.60 -5.13 118.68 117.64 3b5m s LEU 154 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3b5m s LEU 154 Cb 0.00 -0.59 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 3b5m s LEU 154 CO 0.00 0.04 1.07 -2.16 0.23 0.00 0.00 176.35 175.53 3b5m s PRO 155 N -1.03 2.96 0.39 1.29 0.04 -1.26 -4.78 135.00 132.61 3b5m s PRO 155 Ca 0.02 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.24 3b5m s PRO 155 Cb -0.07 -1.99 0.88 0.00 0.04 0.00 0.00 34.50 33.36 3b5m s PRO 155 CO 0.01 -1.09 1.95 -1.00 0.04 0.00 0.00 177.00 176.91 3b5m h PRO 156 N -0.36 0.57 -0.13 0.56 0.13 -2.00 -2.03 132.00 128.74 3b5m h PRO 156 Ca -0.45 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 3b5m h PRO 156 Cb 1.22 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3b5m h PRO 156 CO 0.56 0.38 -0.35 1.05 -0.23 0.00 0.00 178.00 179.41 3b5m h GLU 157 N 0.59 0.28 -0.20 0.86 9.09 -1.98 -0.01 114.58 123.20 3b5m h GLU 157 Ca 0.32 -0.12 -0.19 0.00 0.05 0.00 0.00 59.36 59.43 3b5m h GLU 157 Cb 0.47 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.56 3b5m h GLU 157 CO -0.11 0.60 -0.61 0.93 0.05 0.00 0.00 179.01 179.87 3b5m h GLU 158 N 0.24 0.77 -0.33 1.06 5.08 -1.75 -0.99 114.58 118.66 3b5m h GLU 158 Ca 0.03 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 3b5m h GLU 158 Cb 0.74 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3b5m h GLU 158 CO 0.06 1.18 0.12 0.82 -1.00 0.00 0.00 179.01 180.18 3b5m h ILE 159 N 0.51 1.20 -0.73 3.13 2.04 -1.25 -2.49 117.51 119.92 3b5m h ILE 159 Ca -0.02 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.25 3b5m h ILE 159 Cb 1.23 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3b5m h ILE 159 CO 0.13 0.21 0.48 -0.33 0.00 0.00 0.00 178.15 178.65 3b5m h GLU 160 N 0.38 0.88 -0.11 2.37 5.08 -0.93 -1.32 114.58 120.93 3b5m h GLU 160 Ca 0.11 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3b5m h GLU 160 Cb 0.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3b5m h GLU 160 CO -0.01 0.58 -0.05 0.93 -1.00 0.00 0.00 179.01 179.47 3b5m h GLU 161 N 0.90 -0.03 -0.68 2.33 4.39 -0.88 0.45 114.58 121.06 3b5m h GLU 161 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 3b5m h GLU 161 Cb 0.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3b5m h GLU 161 CO -0.08 -0.02 0.38 0.93 -1.16 0.00 0.00 179.01 179.06 3b5m h GLU 162 N -0.03 0.93 -0.36 2.33 4.39 -0.89 -0.09 114.58 120.85 3b5m h GLU 162 Ca 0.06 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3b5m h GLU 162 Cb 0.12 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3b5m h GLU 162 CO -0.13 0.68 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.09 3b5m h LEU 163 N 0.94 0.74 -0.35 1.33 3.38 -0.85 -1.87 115.31 118.64 3b5m h LEU 163 Ca 0.24 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3b5m h LEU 163 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3b5m h LEU 163 CO -0.04 0.96 -0.37 -0.08 0.09 0.00 0.00 178.44 178.99 3b5m h GLU 164 N 0.64 0.87 -0.80 1.13 4.57 -0.03 -0.45 114.58 120.49 3b5m h GLU 164 Ca 0.09 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3b5m h GLU 164 Cb 0.74 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3b5m h GLU 164 CO 0.06 1.11 0.50 0.00 -1.18 0.00 0.00 179.01 179.50 3b5m h ARG 165 N 0.66 1.07 -0.47 1.92 3.08 -0.97 -1.79 114.38 117.88 3b5m h ARG 165 Ca 0.05 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3b5m h ARG 165 Cb 0.96 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3b5m h ARG 165 CO 0.09 0.74 0.04 0.00 -1.07 0.00 0.00 179.97 179.77 3b5m h ALA 166 N 1.46 0.63 -0.48 0.04 0.00 -1.02 -1.79 119.26 118.10 3b5m h ALA 166 Ca 0.29 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3b5m h ALA 166 Cb -0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3b5m h ALA 166 CO -0.06 0.39 0.08 -0.09 0.00 0.00 0.00 179.25 179.57 3b5m h ARG 167 N 0.66 0.20 -0.12 0.00 2.43 -0.52 0.18 114.38 117.21 3b5m h ARG 167 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3b5m h ARG 167 Cb 0.45 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3b5m h ARG 167 CO 0.02 0.13 0.04 0.82 -1.51 0.00 0.00 179.97 179.47 3b5m h ILE 168 N 0.21 1.18 -0.42 1.20 2.04 -1.20 -0.93 117.51 119.58 3b5m h ILE 168 Ca 0.24 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3b5m h ILE 168 Cb 0.32 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3b5m h ILE 168 CO -0.33 0.16 -0.01 0.00 0.00 0.00 0.00 178.15 177.98 3b5m h ALA 169 N 0.85 1.20 -0.19 1.87 0.00 -1.05 -1.84 119.26 120.09 3b5m h ALA 169 Ca 0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3b5m h ALA 169 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b5m h ALA 169 CO -0.00 0.53 -0.33 0.82 0.00 0.00 0.00 179.25 180.27 3b5m h ILE 170 N 0.65 1.34 -0.76 0.00 2.04 -0.81 -0.06 117.51 119.90 3b5m h ILE 170 Ca 0.13 -1.55 0.05 0.00 1.00 0.00 0.00 64.86 64.49 3b5m h ILE 170 Cb 0.41 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 3b5m h ILE 170 CO 0.02 0.48 0.46 -0.08 0.00 0.00 0.00 178.15 179.03 3b5m h GLU 171 N 0.23 0.85 -0.02 2.37 4.57 -0.97 0.22 114.58 121.82 3b5m h GLU 171 Ca 0.01 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.91 3b5m h GLU 171 Cb 0.91 -0.19 0.02 0.00 -0.16 0.00 0.00 28.75 29.33 3b5m h GLU 171 CO 0.07 0.56 -0.89 -0.22 -1.18 0.00 0.00 179.01 177.36 3b5m h LYS 172 N 0.87 0.64 0.00 1.92 3.64 -1.22 -3.41 116.57 119.01 3b5m h LYS 172 Ca 0.33 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3b5m h LYS 172 Cb 0.12 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3b5m h LYS 172 CO -0.15 1.26 0.00 0.25 -2.27 0.00 0.00 179.45 178.54 3b5m n THR 173 N -3.97 0.00 -2.57 1.00 -2.24 -0.05 -5.11 114.28 101.35 3b5m n THR 173 Ca -0.10 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 3b5m n THR 173 Cb 0.81 1.25 0.04 0.00 -2.10 0.00 0.00 70.33 70.32 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 -0.24 1.77 0.09 3.38 0.00 0.06 -4.66 107.32 107.73 3b5m s GLY 174 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3b5m s GLY 174 CO 0.00 -0.91 0.03 0.61 0.00 0.00 0.00 173.10 172.83 3b5m n GLY 175 N -2.44 3.64 0.32 0.20 0.00 -1.26 -4.94 105.19 100.70 3b5m n GLY 175 Ca 0.07 -2.22 0.01 0.00 0.00 0.00 0.00 46.02 43.89 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 0.89 -0.58 1.61 4.39 -1.99 -1.63 114.58 117.27 3b5m h GLU 176 Ca -0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3b5m h GLU 176 Cb 0.22 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3b5m h GLU 176 CO 0.11 0.59 0.22 -1.35 -1.16 0.00 0.00 179.01 177.42 3b5m h PRO 177 N 0.92 0.84 -0.09 2.33 0.11 -1.99 -0.52 132.00 133.60 3b5m h PRO 177 Ca 0.38 -0.14 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 3b5m h PRO 177 Cb 0.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3b5m h PRO 177 CO -0.19 0.70 -0.75 0.93 -0.21 0.00 0.00 178.00 178.48 3b5m h GLU 178 N 0.83 0.49 -0.39 1.05 3.07 -1.81 -0.62 114.58 117.20 3b5m h GLU 178 Ca 0.20 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3b5m h GLU 178 Cb 0.18 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3b5m h GLU 178 CO -0.02 1.04 0.22 0.00 -1.40 0.00 0.00 179.01 178.86 3b5m h ARG 179 N 0.33 0.54 -0.81 2.33 3.08 -0.99 -2.05 114.38 116.82 3b5m h ARG 179 Ca -0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3b5m h ARG 179 Cb 1.34 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 3b5m h ARG 179 CO 0.14 0.42 0.37 1.49 -1.07 0.00 0.00 179.97 181.32 3b5m h GLU 180 N 0.50 1.17 -0.64 0.04 4.81 -0.95 -2.40 114.58 117.11 3b5m h GLU 180 Ca 0.14 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3b5m h GLU 180 Cb 0.03 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3b5m h GLU 180 CO -0.02 0.92 0.42 0.00 -0.73 0.00 0.00 179.01 179.59 3b5m h ALA 181 N 1.20 0.82 -0.36 2.92 0.00 -0.77 -1.07 119.26 121.99 3b5m h ALA 181 Ca 0.28 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3b5m h ALA 181 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3b5m h ALA 181 CO -0.03 0.22 -0.27 1.25 0.00 0.00 0.00 179.25 180.42 3b5m h LEU 182 N 0.85 0.77 -0.54 0.00 5.85 -1.15 -0.61 115.31 120.48 3b5m h LEU 182 Ca 0.24 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3b5m h LEU 182 Cb -0.07 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3b5m h LEU 182 CO -0.06 1.00 0.26 1.56 -0.34 0.00 0.00 178.44 180.86 3b5m h GLN 183 N 0.64 0.49 -0.44 1.25 4.20 -0.92 0.48 115.11 120.82 3b5m h GLN 183 Ca 0.08 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3b5m h GLN 183 Cb 0.79 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3b5m h GLN 183 CO 0.06 0.32 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.31 3b5m h LEU 184 N 0.50 0.85 -0.34 1.46 3.38 -0.77 -1.23 115.31 119.16 3b5m h LEU 184 Ca 0.25 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3b5m h LEU 184 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3b5m h LEU 184 CO -0.19 1.01 -0.07 0.40 0.09 0.00 0.00 178.44 179.68 3b5m h ILE 185 N 0.74 1.28 -0.86 1.22 2.04 -0.82 -1.74 117.51 119.36 3b5m h ILE 185 Ca 0.11 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3b5m h ILE 185 Cb 0.69 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3b5m h ILE 185 CO 0.05 0.37 0.55 0.03 0.00 0.00 0.00 178.15 179.15 3b5m h ARG 186 N 0.43 1.15 -0.72 2.37 3.08 -0.76 -0.88 114.38 119.05 3b5m h ARG 186 Ca 0.09 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3b5m h ARG 186 Cb 0.57 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3b5m h ARG 186 CO 0.03 0.78 0.39 -0.09 -1.07 0.00 0.00 179.97 180.01 3b5m h ARG 187 N 1.17 1.01 -0.65 0.04 2.43 -1.08 -1.02 114.38 116.27 3b5m h ARG 187 Ca 0.31 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3b5m h ARG 187 Cb -0.10 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 3b5m h ARG 187 CO -0.06 0.75 0.34 1.25 -1.51 0.00 0.00 179.97 180.74 3b5m h HIS 188 N 0.99 0.92 -0.54 2.20 2.76 -0.79 -0.61 115.15 120.08 3b5m h HIS 188 Ca 0.25 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 3b5m h HIS 188 Cb 0.04 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 3b5m h HIS 188 CO -0.00 0.67 0.13 0.28 -1.30 0.00 0.00 177.93 177.71 3b5m h VAL 189 N 0.90 1.24 -0.30 5.26 2.07 -0.78 -1.58 116.25 123.06 3b5m h VAL 189 Ca 0.23 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3b5m h VAL 189 Cb 0.08 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3b5m h VAL 189 CO -0.03 0.32 0.09 0.03 0.02 0.00 0.00 177.57 178.00 3b5m h ARG 190 N 0.76 0.47 -0.37 1.57 3.08 -0.89 -2.39 114.38 116.62 3b5m h ARG 190 Ca 0.17 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3b5m h ARG 190 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3b5m h ARG 190 CO 0.00 0.52 -0.00 0.93 -1.07 0.00 0.00 179.97 180.35 3b5m h GLU 191 N 0.32 0.58 0.00 0.04 3.07 -0.96 -2.70 114.58 114.93 3b5m h GLU 191 Ca 0.10 -0.13 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 3b5m h GLU 191 Cb 0.25 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3b5m h GLU 191 CO -0.00 0.61 -0.57 0.77 -1.40 0.00 0.00 179.01 178.41 3b5m h SER 192 N 0.55 0.00 0.43 1.42 0.02 -1.16 -3.12 113.55 111.70 3b5m h SER 192 Ca 0.12 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.89 3b5m h SER 192 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3b5m h SER 192 CO 0.01 0.57 -0.76 0.77 -1.14 0.00 0.00 176.83 176.28 3b5m h SER 193 N 0.00 0.32 -0.03 3.07 4.64 -1.13 -3.52 113.55 116.90 3b5m h SER 193 Ca -0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3b5m h SER 193 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3b5m h SER 193 CO 0.07 0.97 0.00 2.30 -0.87 0.00 0.00 176.83 179.30