#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uld s LEU 2 N 0.00 4.34 0.08 -0.89 2.96 -1.26 -0.55 118.68 123.36 1uld s LEU 2 Ca 0.00 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1uld s LEU 2 Cb 0.00 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1uld s LEU 2 CO 0.00 0.28 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.91 1uld s TYR 3 N -0.46 0.94 -0.33 5.38 1.51 0.68 -5.00 117.35 120.07 1uld s TYR 3 Ca 0.16 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1uld s TYR 3 Cb -0.13 -0.53 0.08 0.00 -0.11 0.00 0.00 41.96 41.27 1uld s TYR 3 CO 0.05 -0.04 0.05 -1.01 -1.11 0.00 0.00 175.55 173.49 1uld s HIS 4 N -2.08 3.45 -0.42 2.71 3.76 -1.26 -1.24 115.29 120.21 1uld s HIS 4 Ca 0.00 -2.31 -0.18 0.00 -0.15 0.00 0.00 55.06 52.42 1uld s HIS 4 Cb -0.05 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.13 1uld s HIS 4 CO -0.00 -0.89 0.48 -1.17 -0.85 0.00 0.00 174.74 172.31 1uld s LEU 5 N 1.13 4.76 0.38 0.89 2.96 -0.88 -4.90 118.68 123.02 1uld s LEU 5 Ca 0.01 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.19 1uld s LEU 5 Cb -0.20 -2.46 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 1uld s LEU 5 CO -0.04 -0.60 0.81 -0.36 -1.32 0.00 0.00 176.35 174.84 1uld s PHE 6 N 2.27 3.38 0.41 5.38 0.40 -1.26 -1.17 117.98 127.39 1uld s PHE 6 Ca 0.14 1.29 -0.27 0.00 -0.60 0.00 0.00 56.93 57.50 1uld s PHE 6 Cb -0.16 -2.61 -0.09 0.00 0.51 0.00 0.00 43.02 40.66 1uld s PHE 6 CO 0.15 -0.03 1.39 0.54 0.70 0.00 0.00 175.22 177.96 1uld s VAL 7 N -2.16 2.32 -1.51 -0.44 0.11 -1.26 -2.20 120.40 115.26 1uld s VAL 7 Ca 0.56 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.84 1uld s VAL 7 Cb -0.10 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1uld s VAL 7 CO 0.20 0.05 0.77 0.59 -3.33 0.00 0.00 175.10 173.39 1uld n ASN 8 N 0.17 -6.17 -0.58 3.54 3.02 0.55 -4.95 115.26 110.83 1uld n ASN 8 Ca 0.03 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1uld n ASN 8 Cb 0.42 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1uld n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1uld n ASN 9 N -2.67 0.00 -3.62 6.41 4.05 -0.87 -4.99 115.26 113.58 1uld n ASN 9 Ca -0.08 -0.58 -0.08 0.00 0.45 0.00 0.00 54.58 54.29 1uld n ASN 9 Cb 0.60 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.60 1uld n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1uld s GLN 10 N -0.75 1.89 -0.05 1.20 -2.07 -1.26 -0.98 119.66 117.65 1uld s GLN 10 Ca 0.00 -1.14 0.03 0.00 -1.82 0.00 0.00 55.36 52.43 1uld s GLN 10 Cb 0.00 0.60 0.01 0.00 -1.09 0.00 0.00 33.01 32.53 1uld s GLN 10 CO 0.00 -0.87 -0.13 0.14 -1.32 0.00 0.00 175.29 173.12 1uld s VAL 11 N -3.49 1.12 -0.21 3.63 -7.23 -0.42 -4.80 120.40 108.99 1uld s VAL 11 Ca 0.13 -0.51 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 1uld s VAL 11 Cb -0.05 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 1uld s VAL 11 CO 0.09 0.34 0.86 -0.75 -0.31 0.00 0.00 175.10 175.32 1uld s LYS 12 N 0.34 4.24 0.34 4.82 2.47 -1.26 -2.28 119.74 128.41 1uld s LYS 12 Ca -0.08 1.03 -0.27 0.00 -1.56 0.00 0.00 55.97 55.09 1uld s LYS 12 Cb -0.12 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.54 1uld s LYS 12 CO 0.02 -0.45 1.14 -0.51 0.16 0.00 0.00 175.35 175.71 1uld s LEU 13 N 2.59 4.36 0.24 5.43 1.43 0.03 -4.94 118.68 127.81 1uld s LEU 13 Ca 0.38 2.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.73 1uld s LEU 13 Cb -0.16 -3.84 0.22 0.00 0.03 0.00 0.00 46.19 42.45 1uld s LEU 13 CO 0.09 -0.42 1.86 1.56 0.23 0.00 0.00 176.35 179.68 1uld h GLN 14 N 3.18 1.26 -4.72 1.70 1.08 -1.95 -3.43 115.11 112.22 1uld h GLN 14 Ca -0.48 -0.14 -0.27 0.00 -1.45 0.00 0.00 58.65 56.31 1uld h GLN 14 Cb 1.22 -0.25 -0.17 0.00 -0.05 0.00 0.00 27.48 28.23 1uld h GLN 14 CO 0.65 0.91 -0.72 -0.80 -0.95 0.00 0.00 178.83 177.92 1uld s ASN 15 N -6.24 1.16 0.36 1.46 0.02 -1.26 -5.14 114.94 105.31 1uld s ASN 15 Ca -0.13 -0.82 -0.27 0.00 -1.02 0.00 0.00 52.86 50.62 1uld s ASN 15 Cb 0.17 0.05 -0.09 0.00 0.02 0.00 0.00 41.25 41.40 1uld s ASN 15 CO 0.83 -0.33 1.23 -1.81 0.02 0.00 0.00 177.10 177.03 1uld s ASP 16 N -2.46 6.68 -0.39 -1.22 1.11 -1.26 -4.95 116.67 114.18 1uld s ASP 16 Ca 0.04 2.51 -0.29 0.00 0.18 0.00 0.00 52.55 54.99 1uld s ASP 16 Cb -0.01 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.36 1uld s ASP 16 CO -0.02 -0.58 1.21 0.12 1.18 0.00 0.00 175.17 177.09 1uld s PHE 17 N -1.26 2.78 0.16 4.23 5.36 0.03 -4.90 117.98 124.39 1uld s PHE 17 Ca 0.52 0.86 0.03 0.00 -0.96 0.00 0.00 56.93 57.38 1uld s PHE 17 Cb -0.35 -4.11 -0.01 0.00 -0.34 0.00 0.00 43.02 38.20 1uld s PHE 17 CO 0.46 -1.40 0.15 0.36 -1.46 0.00 0.00 175.22 173.33 1uld n LYS 18 N 7.53 0.21 -1.52 10.12 2.85 -1.26 -1.81 118.16 134.29 1uld n LYS 18 Ca 0.13 -1.56 -0.55 0.00 -1.05 0.00 0.00 58.31 55.28 1uld n LYS 18 Cb 0.48 1.31 -0.07 0.00 -0.65 0.00 0.00 35.03 36.10 1uld n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1uld n PRO 19 N -0.30 0.35 0.00 -1.58 -0.02 -1.26 -0.11 135.00 132.08 1uld n PRO 19 Ca 0.03 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1uld n PRO 19 Cb 0.29 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1uld n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1uld n GLU 20 N 1.67 0.00 -1.89 -0.52 -0.58 0.43 -4.97 120.64 114.78 1uld n GLU 20 Ca 0.19 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 1uld n GLU 20 Cb 0.14 -0.55 0.02 0.00 -0.57 0.00 0.00 31.44 30.48 1uld n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1uld s SER 21 N -1.03 5.65 -0.07 1.62 0.01 0.85 -3.81 113.70 116.92 1uld s SER 21 Ca 0.00 2.72 0.01 0.00 1.31 0.00 0.00 55.95 59.98 1uld s SER 21 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 1uld s SER 21 CO 0.00 -1.31 -0.07 -0.69 0.41 0.00 0.00 173.24 171.58 1uld s VAL 22 N -1.31 0.83 -0.22 3.43 1.01 -0.48 -1.53 120.40 122.14 1uld s VAL 22 Ca 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1uld s VAL 22 Cb -0.39 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1uld s VAL 22 CO 0.48 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.77 1uld s ALA 23 N 1.20 2.58 -0.39 5.51 0.00 0.35 0.43 121.76 131.44 1uld s ALA 23 Ca -0.06 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 1uld s ALA 23 Cb -0.14 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.52 1uld s ALA 23 CO -0.02 -0.60 0.22 0.00 0.00 0.00 0.00 175.76 175.36 1uld s ALA 24 N 1.33 3.28 -0.24 0.00 0.00 0.89 -1.08 121.76 125.94 1uld s ALA 24 Ca 0.02 -1.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 1uld s ALA 24 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1uld s ALA 24 CO -0.07 -1.47 0.16 0.42 0.00 0.00 0.00 175.76 174.80 1uld s ILE 25 N 1.52 5.36 -0.04 0.00 1.01 0.65 -1.11 121.20 128.58 1uld s ILE 25 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1uld s ILE 25 Cb -0.20 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1uld s ILE 25 CO 0.06 0.35 -0.08 -0.13 0.00 0.00 0.00 174.94 175.13 1uld s ARG 26 N 1.01 1.13 -0.00 2.79 0.52 0.11 -0.56 118.95 123.95 1uld s ARG 26 Ca 0.08 -0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 54.95 1uld s ARG 26 Cb -0.13 -1.02 -0.05 0.00 0.52 0.00 0.00 34.95 34.27 1uld s ARG 26 CO 0.04 0.03 0.26 0.45 0.02 0.00 0.00 175.30 176.10 1uld s SER 27 N 0.56 6.50 0.00 0.23 0.15 -0.51 -0.43 113.70 120.19 1uld s SER 27 Ca -0.09 0.56 0.28 0.00 0.70 0.00 0.00 55.95 57.40 1uld s SER 27 Cb -0.13 -2.09 1.09 0.00 -1.71 0.00 0.00 66.02 63.18 1uld s SER 27 CO 0.01 0.27 1.77 -1.54 1.20 0.00 0.00 173.24 174.95 1uld n SER 28 N 1.19 0.73 -3.91 5.45 3.41 -1.26 -3.98 113.62 115.25 1uld n SER 28 Ca -0.12 -0.79 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 1uld n SER 28 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1uld n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uld s ALA 29 N -2.41 -0.48 -0.15 7.33 0.00 -1.00 -4.71 121.76 120.34 1uld s ALA 29 Ca 0.29 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1uld s ALA 29 Cb 0.20 0.96 0.05 0.00 0.00 0.00 0.00 23.12 24.33 1uld s ALA 29 CO 0.47 -0.83 0.06 0.12 0.00 0.00 0.00 175.76 175.58 1uld s PHE 30 N -3.96 0.43 -0.82 0.00 5.36 -1.19 -3.98 117.98 113.81 1uld s PHE 30 Ca 0.17 -0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 55.63 1uld s PHE 30 Cb -0.01 -0.76 0.19 0.00 -0.34 0.00 0.00 43.02 42.10 1uld s PHE 30 CO 0.04 -0.47 0.83 -0.80 -1.46 0.00 0.00 175.22 173.36 1uld s ASN 31 N 2.06 6.67 0.52 6.13 0.01 0.48 -4.90 114.94 125.91 1uld s ASN 31 Ca 0.02 -2.44 0.32 0.00 -0.71 0.00 0.00 52.86 50.05 1uld s ASN 31 Cb -0.15 -2.26 1.45 0.00 0.41 0.00 0.00 41.25 40.70 1uld s ASN 31 CO -0.08 -0.72 1.82 0.77 -1.51 0.00 0.00 177.10 177.38 1uld h SER 32 N 8.14 0.08 -0.40 -1.22 4.64 -1.94 0.54 113.55 123.39 1uld h SER 32 Ca 0.07 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1uld h SER 32 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1uld h SER 32 CO 0.86 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 177.13 1uld n LYS 33 N -4.28 2.90 -1.65 4.77 5.02 -1.26 -4.95 118.16 118.70 1uld n LYS 33 Ca 0.24 -1.86 -0.30 0.00 -2.02 0.00 0.00 58.31 54.37 1uld n LYS 33 Cb 1.10 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 34.45 1uld n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1uld s GLY 34 N -0.69 1.63 0.00 0.72 0.00 0.19 -5.06 107.32 104.10 1uld s GLY 34 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1uld s GLY 34 CO 0.15 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.03 1uld n GLY 35 N -2.36 2.20 3.70 0.20 0.00 0.17 -4.84 105.19 104.26 1uld n GLY 35 Ca 0.07 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1uld n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uld s THR 36 N 2.35 2.40 -0.06 2.61 2.01 -1.26 -4.35 115.64 119.35 1uld s THR 36 Ca 0.00 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1uld s THR 36 Cb 0.00 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 1uld s THR 36 CO 0.00 0.00 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.85 1uld s THR 37 N 1.99 1.62 0.05 -0.82 2.01 -0.11 -4.42 115.64 115.97 1uld s THR 37 Ca 0.77 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1uld s THR 37 Cb -0.47 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1uld s THR 37 CO 0.34 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.82 1uld s VAL 38 N 0.13 1.79 -0.07 3.82 1.01 0.18 -0.56 120.40 126.70 1uld s VAL 38 Ca -0.08 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1uld s VAL 38 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1uld s VAL 38 CO 0.04 0.22 -0.10 -0.36 0.00 0.00 0.00 175.10 174.90 1uld s PHE 39 N -0.83 1.34 -0.07 5.22 0.40 -0.86 -0.82 117.98 122.37 1uld s PHE 39 Ca 0.09 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1uld s PHE 39 Cb -0.09 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.40 1uld s PHE 39 CO 0.02 -0.31 -0.19 -0.80 0.70 0.00 0.00 175.22 174.64 1uld s ASN 40 N 0.93 2.46 -0.32 1.36 0.01 -0.33 -1.30 114.94 117.75 1uld s ASN 40 Ca -0.10 -0.42 -0.15 0.00 -0.71 0.00 0.00 52.86 51.48 1uld s ASN 40 Cb -0.15 -0.92 -0.02 0.00 0.41 0.00 0.00 41.25 40.57 1uld s ASN 40 CO 0.01 0.14 0.35 -0.36 -1.51 0.00 0.00 177.10 175.72 1uld s PHE 41 N 0.25 3.22 0.02 2.20 0.40 -0.04 0.08 117.98 124.11 1uld s PHE 41 Ca -0.11 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1uld s PHE 41 Cb -0.15 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1uld s PHE 41 CO 0.05 -0.36 -0.05 -0.51 0.70 0.00 0.00 175.22 175.05 1uld s LEU 42 N 2.00 3.27 0.78 -0.37 1.43 0.38 -1.17 118.68 124.99 1uld s LEU 42 Ca 0.12 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1uld s LEU 42 Cb -0.16 -1.91 0.12 0.00 0.03 0.00 0.00 46.19 44.27 1uld s LEU 42 CO 0.11 0.26 1.09 -0.94 0.23 0.00 0.00 176.35 177.10 1uld s SER 43 N -1.64 4.19 0.40 2.29 1.04 -0.78 0.94 113.70 120.14 1uld s SER 43 Ca 0.19 0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.85 1uld s SER 43 Cb -0.11 -0.55 0.84 0.00 0.10 0.00 0.00 66.02 66.30 1uld s SER 43 CO 0.10 -2.00 2.01 0.00 0.98 0.00 0.00 173.24 174.34 1uld h ALA 44 N -0.87 1.75 -0.15 5.32 0.00 -1.92 0.68 119.26 124.07 1uld h ALA 44 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1uld h ALA 44 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1uld h ALA 44 CO 0.48 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1uld n GLY 45 N -1.47 -0.15 2.31 0.00 0.00 -1.26 -4.89 105.19 99.73 1uld n GLY 45 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1uld n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uld n GLU 46 N -0.05 -0.91 -2.76 1.61 1.02 0.23 -4.69 120.64 115.09 1uld n GLU 46 Ca 0.05 0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 1uld n GLU 46 Cb 0.15 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.61 1uld n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1uld s ASN 47 N -2.71 7.38 -0.78 1.62 0.01 -1.26 -4.03 114.94 115.17 1uld s ASN 47 Ca 0.00 1.88 -0.21 0.00 -0.71 0.00 0.00 52.86 53.82 1uld s ASN 47 Cb 0.00 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.17 1uld s ASN 47 CO 0.00 -0.04 1.04 -0.63 -1.51 0.00 0.00 177.10 175.96 1uld s ILE 48 N -1.52 4.51 0.16 0.60 1.01 0.62 -1.86 121.20 124.72 1uld s ILE 48 Ca 0.49 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1uld s ILE 48 Cb -0.21 -4.73 -0.06 0.00 0.01 0.00 0.00 42.46 37.48 1uld s ILE 48 CO 0.26 -1.48 1.47 -0.07 0.00 0.00 0.00 174.94 175.12 1uld h LEU 49 N 10.93 0.85 -7.17 2.97 3.38 -1.39 -1.28 115.31 123.60 1uld h LEU 49 Ca -0.08 -0.43 -0.27 0.00 0.09 0.00 0.00 57.88 57.19 1uld h LEU 49 Cb 1.05 -0.24 -0.35 0.00 0.09 0.00 0.00 40.66 41.21 1uld h LEU 49 CO 1.16 1.19 -0.60 -0.22 0.09 0.00 0.00 178.44 180.06 1uld s LEU 50 N -8.63 -0.16 -0.16 1.67 2.96 -1.18 -4.67 118.68 108.52 1uld s LEU 50 Ca -0.09 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1uld s LEU 50 Cb 0.11 0.44 -0.02 0.00 0.50 0.00 0.00 46.19 47.22 1uld s LEU 50 CO 0.87 -0.25 -0.07 -2.28 -1.32 0.00 0.00 176.35 173.29 1uld s HIS 51 N 2.34 2.93 -0.27 5.38 5.65 0.03 -0.86 115.29 130.50 1uld s HIS 51 Ca 0.03 -0.54 0.01 0.00 0.25 0.00 0.00 55.06 54.81 1uld s HIS 51 Cb -0.13 -1.95 0.08 0.00 -1.18 0.00 0.00 32.58 29.40 1uld s HIS 51 CO -0.08 -0.20 -0.01 0.42 -0.65 0.00 0.00 174.74 174.22 1uld s ILE 52 N 0.58 1.65 -0.41 0.89 1.01 -0.42 -1.99 121.20 122.50 1uld s ILE 52 Ca -0.05 -1.53 -0.11 0.00 0.00 0.00 0.00 60.65 58.96 1uld s ILE 52 Cb -0.15 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.37 1uld s ILE 52 CO 0.03 -0.30 0.26 -0.55 0.00 0.00 0.00 174.94 174.39 1uld s SER 53 N 1.30 5.76 -0.40 3.58 0.15 0.13 -2.03 113.70 122.18 1uld s SER 53 Ca 0.00 -1.31 -0.21 0.00 0.70 0.00 0.00 55.95 55.13 1uld s SER 53 Cb -0.19 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 1uld s SER 53 CO -0.09 -0.51 0.67 -0.63 1.20 0.00 0.00 173.24 173.88 1uld s ILE 54 N 1.50 4.82 -0.53 6.45 1.01 0.28 0.00 121.20 134.73 1uld s ILE 54 Ca 0.03 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1uld s ILE 54 Cb -0.22 -4.17 0.13 0.00 0.01 0.00 0.00 42.46 38.21 1uld s ILE 54 CO 0.04 -0.49 0.28 -0.13 0.00 0.00 0.00 174.94 174.65 1uld s ARG 55 N 2.87 2.08 0.18 2.79 0.52 0.92 -0.93 118.95 127.37 1uld s ARG 55 Ca 0.25 -2.50 -0.12 0.00 -0.52 0.00 0.00 55.73 52.84 1uld s ARG 55 Cb -0.14 -3.43 0.08 0.00 0.52 0.00 0.00 34.95 31.99 1uld s ARG 55 CO 0.18 -1.11 1.77 -1.00 0.02 0.00 0.00 175.30 175.16 1uld h PRO 56 N 6.80 0.86 0.00 3.54 0.13 -1.82 0.14 132.00 141.65 1uld h PRO 56 Ca -0.06 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1uld h PRO 56 Cb 0.93 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uld h PRO 56 CO 0.68 0.68 -0.05 0.78 -0.23 0.00 0.00 178.00 179.86 1uld h GLY 57 N 0.82 0.00 -0.63 1.56 0.00 -1.93 -0.85 103.07 102.04 1uld h GLY 57 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1uld h GLY 57 CO -0.03 0.00 -0.58 -2.21 0.00 0.00 0.00 176.54 173.72 1uld n GLU 58 N -3.85 1.15 -3.68 4.80 2.13 -1.00 -4.98 120.64 115.22 1uld n GLU 58 Ca -0.03 -0.65 -0.24 0.00 0.66 0.00 0.00 57.16 56.90 1uld n GLU 58 Cb 0.14 -1.41 0.06 0.00 0.27 0.00 0.00 31.44 30.50 1uld n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1uld n ASN 59 N -0.48 -4.21 -3.79 4.31 5.15 0.38 -4.95 115.26 111.67 1uld n ASN 59 Ca 0.07 -0.67 -0.10 0.00 -0.60 0.00 0.00 54.58 53.28 1uld n ASN 59 Cb 0.39 -4.55 -0.07 0.00 -0.53 0.00 0.00 39.78 35.03 1uld n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uld s VAL 60 N -3.38 0.12 -0.15 3.44 0.11 -0.46 -1.59 120.40 118.48 1uld s VAL 60 Ca 0.40 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1uld s VAL 60 Cb -0.19 -1.21 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1uld s VAL 60 CO 0.77 -0.53 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.27 1uld s ILE 61 N -3.56 1.42 -0.14 7.04 1.01 -0.46 -0.06 121.20 126.45 1uld s ILE 61 Ca 0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1uld s ILE 61 Cb 0.03 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1uld s ILE 61 CO -0.10 0.39 0.03 -0.69 0.00 0.00 0.00 174.94 174.57 1uld s VAL 62 N 1.54 4.49 -0.04 2.92 1.01 0.10 -2.60 120.40 127.83 1uld s VAL 62 Ca 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1uld s VAL 62 Cb -0.13 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1uld s VAL 62 CO -0.10 0.52 -0.12 -0.36 0.00 0.00 0.00 175.10 175.04 1uld s PHE 63 N -0.08 2.77 0.11 5.22 0.40 0.56 0.22 117.98 127.19 1uld s PHE 63 Ca 0.05 -0.10 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1uld s PHE 63 Cb -0.12 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.80 1uld s PHE 63 CO 0.02 0.25 0.40 -1.71 0.70 0.00 0.00 175.22 174.88 1uld n ASN 64 N 2.13 -0.84 -3.90 1.36 2.85 -0.84 -1.94 115.26 114.09 1uld n ASN 64 Ca -0.17 -1.50 -0.08 0.00 -0.11 0.00 0.00 54.58 52.71 1uld n ASN 64 Cb 0.52 1.37 -0.04 0.00 1.24 0.00 0.00 39.78 42.88 1uld n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1uld s SER 65 N -1.98 -0.19 0.00 1.20 0.01 -1.26 -0.79 113.70 110.70 1uld s SER 65 Ca 0.09 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1uld s SER 65 Cb -0.02 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1uld s SER 65 CO 0.03 -1.21 0.00 -2.11 0.41 0.00 0.00 173.24 170.36 1uld n ARG 66 N -0.41 0.00 -1.27 12.44 1.85 -0.48 -3.13 116.66 125.67 1uld n ARG 66 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.51 1uld n ARG 66 Cb 0.61 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 32.12 1uld n ARG 66 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1uld s LEU 67 N 0.00 2.78 0.27 2.89 1.43 -1.26 -0.28 118.68 124.51 1uld s LEU 67 Ca 0.00 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1uld s LEU 67 Cb 0.00 -4.31 0.58 0.00 0.03 0.00 0.00 46.19 42.50 1uld s LEU 67 CO 0.00 -2.20 1.62 0.50 0.23 0.00 0.00 176.35 176.51 1uld h LYS 68 N -1.24 0.11 -0.13 1.70 3.64 -1.84 -0.07 116.57 118.74 1uld h LYS 68 Ca -0.45 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1uld h LYS 68 Cb 1.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1uld h LYS 68 CO 0.53 0.07 -0.09 0.09 -2.27 0.00 0.00 179.45 177.78 1uld n ASN 69 N -5.35 2.68 -2.17 4.20 3.02 -1.26 -5.01 115.26 111.37 1uld n ASN 69 Ca 0.18 -3.32 -0.01 0.00 -0.03 0.00 0.00 54.58 51.40 1uld n ASN 69 Cb 0.60 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1uld n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uld n GLY 70 N -1.09 1.78 3.70 7.41 0.00 -0.04 -5.13 105.19 111.81 1uld n GLY 70 Ca 0.21 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 1uld n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uld s ALA 71 N -2.14 3.29 0.70 4.61 0.00 -1.26 -4.65 121.76 122.31 1uld s ALA 71 Ca 0.04 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1uld s ALA 71 Cb -0.00 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1uld s ALA 71 CO 0.02 0.46 1.16 -1.58 0.00 0.00 0.00 175.76 175.83 1uld s TRP 72 N -1.79 2.29 0.00 0.00 0.52 -1.26 -4.53 118.94 114.18 1uld s TRP 72 Ca 0.29 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.99 1uld s TRP 72 Cb -0.09 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 1uld s TRP 72 CO 0.20 -2.20 0.00 0.41 0.02 0.00 0.00 176.95 175.38 1uld n GLY 73 N 0.00 1.91 3.78 0.98 0.00 -1.18 -5.02 105.19 105.65 1uld n GLY 73 Ca 0.12 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1uld n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uld s PRO 74 N 3.40 3.25 0.32 1.61 0.04 -1.26 -4.93 135.00 137.42 1uld s PRO 74 Ca 0.00 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 1uld s PRO 74 Cb 0.00 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1uld s PRO 74 CO 0.00 -0.90 0.65 -1.21 0.04 0.00 0.00 177.00 175.58 1uld s GLU 75 N -3.59 3.79 -0.12 4.56 2.02 -1.26 -4.81 118.70 119.29 1uld s GLU 75 Ca 0.69 0.34 0.01 0.00 0.02 0.00 0.00 54.97 56.04 1uld s GLU 75 Cb -0.21 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.51 1uld s GLU 75 CO 0.31 0.15 -0.15 -1.21 0.02 0.00 0.00 175.26 174.38 1uld s GLU 76 N -3.37 2.25 0.25 1.61 2.02 -0.82 -4.98 118.70 115.66 1uld s GLU 76 Ca 0.49 -0.56 0.09 0.00 0.02 0.00 0.00 54.97 55.00 1uld s GLU 76 Cb -0.11 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1uld s GLU 76 CO 0.26 -0.11 -0.14 1.03 0.02 0.00 0.00 175.26 176.32 1uld s ARG 77 N 1.13 1.49 -0.03 1.61 0.52 -1.26 -0.32 118.95 122.09 1uld s ARG 77 Ca -0.03 -1.70 -0.19 0.00 -0.52 0.00 0.00 55.73 53.29 1uld s ARG 77 Cb -0.14 -1.33 0.03 0.00 0.52 0.00 0.00 34.95 34.03 1uld s ARG 77 CO -0.04 0.19 0.40 0.96 0.02 0.00 0.00 175.30 176.83 1uld s ILE 78 N -2.84 0.04 0.37 1.52 -4.36 -1.07 -5.00 121.20 109.87 1uld s ILE 78 Ca 0.26 -0.35 -0.28 0.00 -0.26 0.00 0.00 60.65 60.02 1uld s ILE 78 Cb -0.01 -0.70 -0.11 0.00 1.25 0.00 0.00 42.46 42.89 1uld s ILE 78 CO 0.10 -0.19 1.46 -2.84 0.24 0.00 0.00 174.94 173.71 1uld s PRO 79 N -1.26 4.12 0.11 0.37 0.02 -1.26 -1.35 135.00 135.75 1uld s PRO 79 Ca -0.13 2.51 -0.13 0.00 0.02 0.00 0.00 61.00 63.28 1uld s PRO 79 Cb -0.04 -2.97 -0.14 0.00 0.02 0.00 0.00 34.50 31.38 1uld s PRO 79 CO 0.06 -0.50 1.33 -0.92 -0.33 0.00 0.00 177.00 176.64 1uld h TYR 80 N 3.02 1.07 -3.13 6.54 3.20 -1.55 -3.43 116.97 122.69 1uld h TYR 80 Ca -0.51 -0.44 -0.58 0.00 3.14 0.00 0.00 58.73 60.34 1uld h TYR 80 Cb 1.24 -0.18 0.14 0.00 1.54 0.00 0.00 36.73 39.47 1uld h TYR 80 CO 0.53 1.27 0.15 0.00 -1.64 0.00 0.00 178.16 178.48 1uld n ALA 81 N -2.59 0.19 -3.78 1.82 0.00 -1.26 -3.20 120.51 111.68 1uld n ALA 81 Ca -0.06 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 1uld n ALA 81 Cb 0.70 -2.08 0.04 0.00 0.00 0.00 0.00 19.45 18.11 1uld n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uld n GLU 82 N 0.00 -6.02 -0.03 0.00 1.02 -1.26 -4.89 120.64 109.46 1uld n GLU 82 Ca 0.10 0.67 -0.05 0.00 -0.02 0.00 0.00 57.16 57.85 1uld n GLU 82 Cb 0.40 -5.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 1uld n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uld n LYS 83 N -4.65 0.17 -4.01 3.49 4.76 -1.19 -4.35 118.16 112.36 1uld n LYS 83 Ca -0.05 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.16 1uld n LYS 83 Cb 0.57 -1.10 -0.05 0.00 -1.84 0.00 0.00 35.03 32.62 1uld n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1uld s PHE 84 N -2.13 3.31 -0.26 2.13 0.40 -1.26 -0.83 117.98 119.34 1uld s PHE 84 Ca -0.09 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1uld s PHE 84 Cb 0.02 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1uld s PHE 84 CO 0.15 0.53 -0.10 0.50 0.70 0.00 0.00 175.22 177.00 1uld s ARG 85 N -2.99 2.43 0.67 0.44 3.52 -1.26 -4.87 118.95 116.88 1uld s ARG 85 Ca 0.32 -1.23 -0.11 0.00 -0.13 0.00 0.00 55.73 54.58 1uld s ARG 85 Cb -0.11 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1uld s ARG 85 CO 0.25 -0.51 1.05 -1.25 -0.81 0.00 0.00 175.30 174.03 1uld s PRO 86 N 1.17 3.18 0.00 5.12 0.04 -1.26 -1.66 135.00 141.60 1uld s PRO 86 Ca -0.06 0.89 0.25 0.00 0.04 0.00 0.00 61.00 62.12 1uld s PRO 86 Cb -0.19 -2.02 0.84 0.00 0.04 0.00 0.00 34.50 33.17 1uld s PRO 86 CO -0.05 -0.90 1.61 -0.35 0.04 0.00 0.00 177.00 177.35 1uld n PRO 87 N -2.97 1.79 -3.44 0.56 -0.04 -1.26 -4.86 135.00 124.78 1uld n PRO 87 Ca 0.07 -1.16 -0.27 0.00 -0.04 0.00 0.00 63.50 62.10 1uld n PRO 87 Cb 0.54 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1uld n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uld n ASN 88 N 0.39 3.65 -4.76 3.54 5.03 -1.16 -2.37 115.26 119.59 1uld n ASN 88 Ca 0.18 -3.42 -0.33 0.00 0.87 0.00 0.00 54.58 51.88 1uld n ASN 88 Cb 0.38 -0.67 0.07 0.00 -1.02 0.00 0.00 39.78 38.53 1uld n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1uld s PRO 89 N -2.40 2.47 0.08 3.52 0.04 -0.66 -4.70 135.00 133.34 1uld s PRO 89 Ca 0.39 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1uld s PRO 89 Cb 0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1uld s PRO 89 CO -0.02 -1.51 0.02 -1.54 0.04 0.00 0.00 177.00 173.98 1uld s SER 90 N -2.64 0.40 -0.05 6.66 1.04 -1.26 -1.43 113.70 116.42 1uld s SER 90 Ca 0.67 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1uld s SER 90 Cb -0.22 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1uld s SER 90 CO 0.46 -0.66 0.00 -0.63 0.98 0.00 0.00 173.24 173.39 1uld s ILE 91 N -3.97 0.27 -0.16 -1.02 1.01 0.28 -3.76 121.20 113.85 1uld s ILE 91 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.92 1uld s ILE 91 Cb 0.08 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1uld s ILE 91 CO -0.05 0.21 -0.17 -0.89 0.00 0.00 0.00 174.94 174.04 1uld s THR 92 N 1.63 2.47 -0.13 2.92 2.01 0.11 -0.26 115.64 124.39 1uld s THR 92 Ca -0.01 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1uld s THR 92 Cb -0.13 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 1uld s THR 92 CO -0.03 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 1uld s VAL 93 N 0.92 2.55 -0.08 3.82 1.01 -0.24 0.11 120.40 128.49 1uld s VAL 93 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1uld s VAL 93 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1uld s VAL 93 CO -0.03 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.80 1uld s ILE 94 N 0.58 1.53 -0.44 2.22 1.01 0.56 -0.49 121.20 126.17 1uld s ILE 94 Ca -0.10 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 1uld s ILE 94 Cb -0.16 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1uld s ILE 94 CO 0.03 0.44 0.75 -0.62 0.00 0.00 0.00 174.94 175.55 1uld s ASP 95 N 0.48 6.40 -0.25 3.58 -1.08 -0.58 -0.42 116.67 124.80 1uld s ASP 95 Ca -0.16 -0.11 0.12 0.00 -0.52 0.00 0.00 52.55 51.88 1uld s ASP 95 Cb -0.16 -2.37 0.76 0.00 -1.46 0.00 0.00 42.92 39.69 1uld s ASP 95 CO 0.06 -0.87 1.72 1.41 0.52 0.00 0.00 175.17 178.01 1uld n HIS 96 N 6.59 2.12 0.00 -5.34 8.25 0.40 -0.43 115.22 126.80 1uld n HIS 96 Ca 0.01 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 1uld n HIS 96 Cb 0.48 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1uld n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uld n GLY 97 N 0.37 2.05 0.27 -1.41 0.00 -1.26 -4.27 105.19 100.95 1uld n GLY 97 Ca 0.31 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1uld n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uld n ASP 98 N 3.93 1.20 -3.57 1.61 5.68 -1.26 -4.90 116.55 119.25 1uld n ASP 98 Ca 0.00 -0.98 -0.07 0.00 -0.50 0.00 0.00 54.79 53.24 1uld n ASP 98 Cb 0.00 0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.21 1uld n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uld s ARG 99 N -2.55 0.88 0.09 0.11 1.70 -1.26 -1.76 118.95 116.16 1uld s ARG 99 Ca 0.21 -0.38 0.02 0.00 -0.47 0.00 0.00 55.73 55.12 1uld s ARG 99 Cb 0.19 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1uld s ARG 99 CO 0.56 -0.39 0.19 -0.06 -1.08 0.00 0.00 175.30 174.52 1uld s PHE 100 N -3.12 3.40 -0.14 5.89 0.40 -0.08 -0.46 117.98 123.88 1uld s PHE 100 Ca 0.07 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 1uld s PHE 100 Cb -0.01 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1uld s PHE 100 CO -0.06 0.55 -0.19 -1.14 0.70 0.00 0.00 175.22 175.08 1uld s GLN 101 N -2.69 3.13 -0.11 0.44 0.74 0.44 -0.88 119.66 120.73 1uld s GLN 101 Ca 0.33 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1uld s GLN 101 Cb -0.12 -2.49 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 1uld s GLN 101 CO 0.26 0.06 -0.20 0.42 -0.55 0.00 0.00 175.29 175.28 1uld s ILE 102 N 0.66 2.39 -0.04 -2.34 1.09 0.79 -0.33 121.20 123.42 1uld s ILE 102 Ca -0.10 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.58 1uld s ILE 102 Cb -0.16 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 1uld s ILE 102 CO 0.02 0.55 -0.14 -0.13 -0.10 0.00 0.00 174.94 175.14 1uld s ARG 103 N 0.29 1.54 0.00 2.79 0.52 0.12 -0.56 118.95 123.65 1uld s ARG 103 Ca -0.15 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1uld s ARG 103 Cb -0.17 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 33.96 1uld s ARG 103 CO 0.07 0.17 0.00 1.19 0.02 0.00 0.00 175.30 176.75 1uld n PHE 104 N 3.30 -0.33 -0.05 -0.53 3.01 -1.26 0.10 117.46 121.70 1uld n PHE 104 Ca -0.19 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.14 1uld n PHE 104 Cb 0.53 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.93 1uld n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1uld h ASP 105 N 0.00 0.38 -0.98 4.37 3.32 -1.09 -3.47 116.42 118.95 1uld h ASP 105 Ca 0.00 -0.48 -0.63 0.00 0.02 0.00 0.00 57.03 55.94 1uld h ASP 105 Cb 0.00 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.33 1uld h ASP 105 CO 0.00 0.78 -0.50 -0.31 -1.72 0.00 0.00 179.24 177.48 1uld s TYR 106 N -4.32 2.16 0.08 4.55 1.51 -0.01 -4.98 117.35 116.34 1uld s TYR 106 Ca -0.14 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1uld s TYR 106 Cb 0.05 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1uld s TYR 106 CO 0.75 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.78 1uld n GLY 107 N -1.25 -1.53 3.90 0.71 0.00 -1.26 -4.74 105.19 101.02 1uld n GLY 107 Ca -0.09 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 1uld n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uld s THR 108 N -1.44 3.38 0.73 2.61 -4.23 -1.26 -4.88 115.64 110.55 1uld s THR 108 Ca 0.00 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1uld s THR 108 Cb 0.00 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.47 1uld s THR 108 CO 0.00 -0.49 1.07 -0.44 -0.54 0.00 0.00 174.62 174.23 1uld s SER 109 N -4.36 4.95 -0.11 3.99 0.01 -1.26 -4.81 113.70 112.11 1uld s SER 109 Ca 0.57 1.69 -0.00 0.00 1.31 0.00 0.00 55.95 59.52 1uld s SER 109 Cb -0.11 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1uld s SER 109 CO 0.49 -1.73 -0.09 -0.63 0.41 0.00 0.00 173.24 171.69 1uld s ILE 110 N -2.99 3.49 -0.13 1.44 1.09 0.28 -4.94 121.20 119.43 1uld s ILE 110 Ca 0.60 -0.53 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 1uld s ILE 110 Cb -0.15 -2.46 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1uld s ILE 110 CO 0.55 0.55 -0.14 -0.31 -0.10 0.00 0.00 174.94 175.49 1uld s TYR 111 N -0.16 2.79 -0.25 3.97 1.51 -1.26 -0.15 117.35 123.80 1uld s TYR 111 Ca 0.01 -0.74 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1uld s TYR 111 Cb -0.13 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 39.94 1uld s TYR 111 CO 0.03 -0.27 -0.04 -0.47 -1.11 0.00 0.00 175.55 173.69 1uld s TYR 112 N 0.45 2.54 0.28 2.71 5.04 -0.05 -4.96 117.35 123.35 1uld s TYR 112 Ca -0.10 -1.91 -0.30 0.00 -2.44 0.00 0.00 57.07 52.31 1uld s TYR 112 Cb -0.16 -1.73 -0.12 0.00 0.35 0.00 0.00 41.96 40.30 1uld s TYR 112 CO 0.05 -0.81 1.51 0.09 -1.34 0.00 0.00 175.55 175.05 1uld n ASN 113 N 4.63 3.40 -4.77 4.32 5.03 -1.26 -0.90 115.26 125.71 1uld n ASN 113 Ca -0.10 1.15 -0.40 0.00 0.87 0.00 0.00 54.58 56.10 1uld n ASN 113 Cb 0.44 -1.53 -0.01 0.00 -1.02 0.00 0.00 39.78 37.65 1uld n ASN 113 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1uld s LYS 114 N -0.59 4.12 -0.01 3.52 1.02 -0.72 -4.87 119.74 122.21 1uld s LYS 114 Ca 0.65 2.13 0.06 0.00 0.02 0.00 0.00 55.97 58.82 1uld s LYS 114 Cb -0.55 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 33.82 1uld s LYS 114 CO 0.50 -0.36 0.16 0.54 -0.92 0.00 0.00 175.35 175.27 1uld n ARG 115 N 0.36 1.74 -3.88 1.68 1.74 -1.26 -4.94 116.66 112.10 1uld n ARG 115 Ca 0.02 -0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1uld n ARG 115 Cb 0.43 -1.01 -0.17 0.00 -1.02 0.00 0.00 32.46 30.69 1uld n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uld s ILE 116 N -2.11 1.05 -1.24 0.55 1.01 -1.26 -5.06 121.20 114.12 1uld s ILE 116 Ca -0.01 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 1uld s ILE 116 Cb 0.04 -1.21 0.06 0.00 0.01 0.00 0.00 42.46 41.35 1uld s ILE 116 CO 0.23 0.15 1.70 -1.59 0.00 0.00 0.00 174.94 175.44 1uld s LYS 117 N 1.67 3.83 0.12 2.79 0.00 -1.26 -4.85 119.74 122.04 1uld s LYS 117 Ca 0.01 -1.80 -0.14 0.00 0.00 0.00 0.00 55.97 54.05 1uld s LYS 117 Cb -0.15 -5.49 0.02 0.00 0.00 0.00 0.00 37.83 32.21 1uld s LYS 117 CO -0.08 -2.35 0.35 -1.21 0.00 0.00 0.00 175.35 172.06 1uld s GLU 118 N 4.50 1.04 0.22 1.78 2.02 -1.26 -5.17 118.70 121.83 1uld s GLU 118 Ca 0.54 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.75 1uld s GLU 118 Cb 0.03 0.43 -0.03 0.00 0.10 0.00 0.00 34.13 34.66 1uld s GLU 118 CO 0.05 -0.39 0.36 -0.80 0.02 0.00 0.00 175.26 174.50 1uld s ASN 119 N -2.83 6.33 0.02 -0.19 0.01 -1.26 -5.04 114.94 111.97 1uld s ASN 119 Ca 0.05 0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 52.10 1uld s ASN 119 Cb 0.03 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.74 1uld s ASN 119 CO -0.10 -0.06 0.66 0.00 -1.51 0.00 0.00 177.10 176.09 1uld s ALA 120 N -1.94 3.44 -0.60 0.60 0.00 -0.75 -4.32 121.76 118.19 1uld s ALA 120 Ca 0.35 0.13 0.16 0.00 0.00 0.00 0.00 51.96 52.60 1uld s ALA 120 Cb -0.10 -2.84 -0.19 0.00 0.00 0.00 0.00 23.12 19.99 1uld s ALA 120 CO 0.29 0.13 0.61 0.00 0.00 0.00 0.00 175.76 176.80 1uld n ALA 121 N 2.73 3.77 -3.25 0.00 0.00 0.27 -0.79 120.51 123.25 1uld n ALA 121 Ca -0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1uld n ALA 121 Cb 0.51 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 1uld n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uld s ALA 122 N -2.65 -1.07 -0.08 0.00 0.00 -0.66 -0.79 121.76 116.51 1uld s ALA 122 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1uld s ALA 122 Cb 0.12 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.07 1uld s ALA 122 CO 0.66 -0.75 -0.11 0.42 0.00 0.00 0.00 175.76 175.98 1uld s ILE 123 N -3.83 1.15 0.17 0.00 1.01 -0.97 -0.47 121.20 118.26 1uld s ILE 123 Ca 0.06 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1uld s ILE 123 Cb -0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1uld s ILE 123 CO -0.07 0.37 0.03 0.00 0.00 0.00 0.00 174.94 175.26 1uld s ALA 124 N 0.98 3.28 -0.09 9.38 0.00 0.11 -1.31 121.76 134.12 1uld s ALA 124 Ca -0.08 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 1uld s ALA 124 Cb -0.15 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 21.93 1uld s ALA 124 CO -0.00 0.49 0.01 -0.47 0.00 0.00 0.00 175.76 175.79 1uld s TYR 125 N -1.73 0.66 -0.02 0.00 5.04 -0.15 -1.19 117.35 119.97 1uld s TYR 125 Ca 0.28 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1uld s TYR 125 Cb -0.09 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 1uld s TYR 125 CO 0.20 -0.36 -0.13 -0.80 -1.34 0.00 0.00 175.55 173.11 1uld s ASN 126 N 1.98 1.58 -0.29 4.32 0.01 0.00 0.20 114.94 122.74 1uld s ASN 126 Ca 0.04 -0.25 -0.21 0.00 -0.71 0.00 0.00 52.86 51.73 1uld s ASN 126 Cb -0.13 -0.28 0.17 0.00 0.41 0.00 0.00 41.25 41.42 1uld s ASN 126 CO -0.06 0.14 1.19 0.00 -1.51 0.00 0.00 177.10 176.86 1uld s ALA 127 N -0.14 -2.26 -0.04 0.60 0.00 -1.26 -0.65 121.76 118.02 1uld s ALA 127 Ca 0.02 1.91 -0.23 0.00 0.00 0.00 0.00 51.96 53.66 1uld s ALA 127 Cb -0.07 -1.71 -0.24 0.00 0.00 0.00 0.00 23.12 21.10 1uld s ALA 127 CO 0.00 -0.24 1.03 0.93 0.00 0.00 0.00 175.76 177.49 1uld h GLU 128 N 4.50 0.25 -2.48 0.00 4.39 -1.96 -3.39 114.58 115.87 1uld h GLU 128 Ca -0.27 -0.27 -0.59 0.00 0.34 0.00 0.00 59.36 58.56 1uld h GLU 128 Cb 1.18 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 29.52 1uld h GLU 128 CO 0.17 1.00 -0.89 -1.71 -1.16 0.00 0.00 179.01 176.42 1uld n ASN 129 N -4.40 0.44 -4.58 1.42 5.15 -1.26 -5.06 115.26 106.97 1uld n ASN 129 Ca -0.10 -2.61 -0.41 0.00 -0.60 0.00 0.00 54.58 50.86 1uld n ASN 129 Cb 0.57 -0.61 0.01 0.00 -0.53 0.00 0.00 39.78 39.23 1uld n ASN 129 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1uld n SER 130 N 2.48 0.82 0.20 1.20 2.88 -1.26 0.44 113.62 120.38 1uld n SER 130 Ca 0.27 0.99 0.09 0.00 -1.33 0.00 0.00 58.87 58.90 1uld n SER 130 Cb 0.45 -1.31 0.13 0.00 -0.75 0.00 0.00 64.21 62.73 1uld n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1uld h LEU 131 N 1.32 0.00-10.07 2.46 5.85 -1.82 -3.42 115.31 109.62 1uld h LEU 131 Ca -0.44 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.63 1uld h LEU 131 Cb 1.35 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 1uld h LEU 131 CO 0.55 0.14 -0.47 -0.36 -0.34 0.00 0.00 178.44 177.96 1uld s PHE 132 N -3.14 1.90 0.85 1.25 2.99 -1.26 -0.38 117.98 120.18 1uld s PHE 132 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 56.93 55.98 1uld s PHE 132 Cb 0.06 -1.71 0.10 0.00 0.00 0.00 0.00 43.02 41.47 1uld s PHE 132 CO 0.69 0.08 1.13 -1.54 -0.00 0.00 0.00 175.22 175.59 1uld s SER 133 N -3.96 4.08 -0.12 1.36 1.04 -1.26 -4.88 113.70 109.96 1uld s SER 133 Ca 0.16 1.03 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 1uld s SER 133 Cb 0.01 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.53 1uld s SER 133 CO 0.09 -2.20 0.02 -0.55 0.98 0.00 0.00 173.24 171.58 1uld s SER 134 N -4.12 2.13 0.88 7.02 0.15 -1.26 -3.80 113.70 114.69 1uld s SER 134 Ca 0.62 -0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 1uld s SER 134 Cb -0.14 -0.50 0.13 0.00 -1.71 0.00 0.00 66.02 63.80 1uld s SER 134 CO 0.53 -0.24 0.81 -0.81 1.20 0.00 0.00 173.24 174.73 1uld n PRO 135 N 5.11 -0.54 -4.29 5.44 -0.04 -1.26 -4.93 135.00 134.49 1uld n PRO 135 Ca -0.08 -1.51 -0.30 0.00 -0.04 0.00 0.00 63.50 61.57 1uld n PRO 135 Cb 0.49 -0.76 -0.10 0.00 -0.04 0.00 0.00 33.50 33.09 1uld n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uld s VAL 136 N -2.63 3.42 0.05 0.52 -7.23 -0.31 -4.68 120.40 109.54 1uld s VAL 136 Ca 0.48 -1.16 -0.25 0.00 -1.81 0.00 0.00 61.98 59.24 1uld s VAL 136 Cb -0.02 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1uld s VAL 136 CO 0.33 0.17 0.76 -0.89 -0.31 0.00 0.00 175.10 175.17 1uld s THR 137 N -1.17 4.71 -0.11 5.32 2.01 0.43 -2.08 115.64 124.75 1uld s THR 137 Ca 0.21 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 1uld s THR 137 Cb -0.11 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1uld s THR 137 CO 0.13 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 1uld s VAL 138 N -0.13 0.89 -0.21 3.82 1.01 -0.37 0.05 120.40 125.46 1uld s VAL 138 Ca 0.38 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1uld s VAL 138 Cb -0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1uld s VAL 138 CO 0.23 0.32 -0.02 -1.81 0.00 0.00 0.00 175.10 173.82 1uld s ASP 139 N 1.76 4.58 -0.17 3.32 1.11 -0.27 -0.23 116.67 126.77 1uld s ASP 139 Ca 0.05 -0.30 -0.02 0.00 0.18 0.00 0.00 52.55 52.46 1uld s ASP 139 Cb -0.13 -1.79 -0.02 0.00 1.07 0.00 0.00 42.92 42.06 1uld s ASP 139 CO -0.08 0.02 -0.08 -0.69 1.18 0.00 0.00 175.17 175.53 1uld s VAL 140 N 1.26 3.38 0.03 -1.27 1.01 0.29 -0.07 120.40 125.03 1uld s VAL 140 Ca 0.03 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1uld s VAL 140 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1uld s VAL 140 CO -0.00 0.48 -0.02 -1.00 0.00 0.00 0.00 175.10 174.56 1uld s HIS 141 N 0.73 2.99 -0.13 5.22 3.76 0.17 -0.47 115.29 127.56 1uld s HIS 141 Ca -0.04 0.01 0.19 0.00 -0.15 0.00 0.00 55.06 55.08 1uld s HIS 141 Cb -0.15 -1.61 0.38 0.00 1.11 0.00 0.00 32.58 32.31 1uld s HIS 141 CO 0.02 0.44 1.59 0.78 -0.85 0.00 0.00 174.74 176.73 1uld h GLY 142 N 4.10 0.00 -3.02 -2.22 0.00 -1.86 -1.27 103.07 98.80 1uld h GLY 142 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1uld h GLY 142 CO 0.57 0.00 0.00 0.48 0.00 0.00 0.00 176.54 177.59 1uld s LEU 143 N -6.49 0.15 0.09 3.11 2.34 -1.25 -3.52 118.68 113.12 1uld s LEU 143 Ca 0.04 -0.26 -0.33 0.00 0.06 0.00 0.00 54.13 53.63 1uld s LEU 143 Cb 0.08 2.04 -0.12 0.00 -0.56 0.00 0.00 46.19 47.62 1uld s LEU 143 CO 0.70 -0.90 1.74 -0.11 -1.06 0.00 0.00 176.35 176.71 1uld n LEU 144 N -0.27 3.51 -4.87 1.48 0.00 -1.25 -4.82 117.00 110.78 1uld n LEU 144 Ca -0.16 1.03 -0.29 0.00 0.00 0.00 0.00 56.01 56.59 1uld n LEU 144 Cb 0.64 -1.46 0.09 0.00 0.00 0.00 0.00 43.42 42.70 1uld n LEU 144 CO 0.16 -0.07 0.77 -2.16 0.00 0.00 0.00 177.39 176.09 1uld s PRO 145 N 2.21 1.89 0.50 1.96 0.04 -1.26 -4.99 135.00 135.35 1uld s PRO 145 Ca 0.83 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1uld s PRO 145 Cb -0.61 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1uld s PRO 145 CO 0.41 -1.67 1.35 -2.30 0.04 0.00 0.00 177.00 174.83 1uld n PRO 146 N -3.39 1.87 -4.16 0.56 -0.02 -1.26 -4.98 135.00 123.62 1uld n PRO 146 Ca 0.07 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1uld n PRO 146 Cb 0.60 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1uld n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uld s LEU 147 N -2.85 3.93 0.67 2.45 1.43 -1.26 -5.10 118.68 117.94 1uld s LEU 147 Ca 0.67 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 1uld s LEU 147 Cb -0.44 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1uld s LEU 147 CO 0.53 0.39 1.05 -2.16 0.23 0.00 0.00 176.35 176.39 1uld s PRO 148 N -0.91 3.08 0.64 1.29 0.04 -1.26 -4.89 135.00 132.99 1uld s PRO 148 Ca 0.14 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.44 1uld s PRO 148 Cb -0.12 -2.01 1.52 0.00 0.04 0.00 0.00 34.50 33.93 1uld s PRO 148 CO 0.03 -0.98 1.88 -1.35 0.04 0.00 0.00 177.00 176.61 1uld h PRO 149 N -0.46 0.00 0.00 0.56 0.11 -2.06 -3.56 132.00 126.59 1uld h PRO 149 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uld h PRO 149 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1uld h PRO 149 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36