#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jml s HIS -6 N 0.00 3.45 -0.16 1.12 3.76 -1.26 -5.02 115.29 117.18 1jml s HIS -6 Ca 0.00 -1.68 -0.11 0.00 -0.15 0.00 0.00 55.06 53.12 1jml s HIS -6 Cb 0.00 -4.02 -0.05 0.00 1.11 0.00 0.00 32.58 29.63 1jml s HIS -6 CO 0.00 -1.21 0.21 -1.58 -0.85 0.00 0.00 174.74 171.31 1jml s HIS -5 N 1.35 3.47 -0.27 1.40 5.04 -1.26 -5.07 115.29 119.96 1jml s HIS -5 Ca 0.23 0.49 -0.10 0.00 -1.54 0.00 0.00 55.06 54.14 1jml s HIS -5 Cb -0.09 -2.21 -0.05 0.00 0.04 0.00 0.00 32.58 30.28 1jml s HIS -5 CO -0.08 0.35 0.16 -1.58 -2.34 0.00 0.00 174.74 171.25 1jml s HIS -4 N 0.13 3.21 -0.47 3.88 5.65 -1.26 -5.04 115.29 121.39 1jml s HIS -4 Ca 0.13 0.05 -0.14 0.00 0.25 0.00 0.00 55.06 55.34 1jml s HIS -4 Cb -0.12 -2.34 0.08 0.00 -1.18 0.00 0.00 32.58 29.02 1jml s HIS -4 CO 0.02 -0.15 0.38 -1.58 -0.65 0.00 0.00 174.74 172.75 1jml s HIS -3 N 1.61 3.27 0.43 3.88 2.46 -1.26 -5.06 115.29 120.63 1jml s HIS -3 Ca 0.07 -1.11 -0.26 0.00 0.47 0.00 0.00 55.06 54.24 1jml s HIS -3 Cb -0.15 -3.21 -0.09 0.00 -0.13 0.00 0.00 32.58 29.00 1jml s HIS -3 CO 0.09 -0.84 1.41 -1.58 -2.47 0.00 0.00 174.74 171.35 1jml s HIS -2 N 1.59 2.54 0.06 3.88 5.04 -1.26 -5.04 115.29 122.10 1jml s HIS -2 Ca 0.04 1.28 0.06 0.00 -1.54 0.00 0.00 55.06 54.90 1jml s HIS -2 Cb -0.25 -3.88 -0.03 0.00 0.04 0.00 0.00 32.58 28.47 1jml s HIS -2 CO 0.05 -2.77 -0.17 -1.01 -2.34 0.00 0.00 174.74 168.50 1jml s HIS -1 N -1.21 1.48 0.54 3.88 0.09 -1.26 -5.13 115.29 113.69 1jml s HIS -1 Ca 0.59 -0.40 -0.19 0.00 -0.00 0.00 0.00 55.06 55.06 1jml s HIS -1 Cb -0.43 -0.85 -0.06 0.00 -0.00 0.00 0.00 32.58 31.24 1jml s HIS -1 CO 0.55 0.09 1.12 0.20 -0.00 0.00 0.00 174.74 176.71 1jml s GLY 0 N -1.48 2.62 -1.55 -2.22 0.00 -1.26 -3.08 107.32 100.35 1jml s GLY 0 Ca 0.03 0.80 -0.03 0.00 0.00 0.00 0.00 44.72 45.53 1jml s GLY 0 CO 0.02 1.16 0.26 1.03 0.00 0.00 0.00 173.10 175.58 1jml n MET 1 N -1.29 -3.09 -2.81 2.90 2.81 -1.26 -4.94 117.12 109.45 1jml n MET 1 Ca 0.11 0.87 -0.40 0.00 -1.81 0.00 0.00 57.70 56.47 1jml n MET 1 Cb 0.51 -5.60 -0.06 0.00 -0.71 0.00 0.00 33.22 27.36 1jml n MET 1 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1jml s GLU 2 N -5.37 4.78 -0.12 0.03 -1.05 -1.18 -5.03 118.70 110.77 1jml s GLU 2 Ca 0.15 1.40 -0.01 0.00 -0.15 0.00 0.00 54.97 56.35 1jml s GLU 2 Cb -0.07 -3.28 0.04 0.00 -0.44 0.00 0.00 34.13 30.38 1jml s GLU 2 CO 0.18 0.52 -0.01 -1.21 0.95 0.00 0.00 175.26 175.69 1jml s GLU 3 N -1.13 0.88 0.17 -4.83 8.01 -1.26 -4.07 118.70 116.48 1jml s GLU 3 Ca 0.40 -0.15 0.05 0.00 0.01 0.00 0.00 54.97 55.28 1jml s GLU 3 Cb -0.25 -1.45 -0.05 0.00 -4.31 0.00 0.00 34.13 28.07 1jml s GLU 3 CO 0.30 -0.39 -0.10 0.14 0.01 0.00 0.00 175.26 175.23 1jml s VAL 4 N 1.86 1.30 -0.09 2.63 -7.23 0.19 -4.97 120.40 114.09 1jml s VAL 4 Ca 0.03 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1jml s VAL 4 Cb -0.14 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1jml s VAL 4 CO -0.07 -0.65 -0.19 0.42 -0.31 0.00 0.00 175.10 174.30 1jml s THR 5 N -3.25 2.52 -0.15 5.32 -4.23 -1.26 -2.24 115.64 112.37 1jml s THR 5 Ca 0.20 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1jml s THR 5 Cb 0.02 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.87 1jml s THR 5 CO 0.03 0.56 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.88 1jml s ILE 6 N -0.00 2.67 -0.33 2.99 -1.09 0.95 -4.98 121.20 121.40 1jml s ILE 6 Ca -0.06 -0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 57.49 1jml s ILE 6 Cb -0.15 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 1jml s ILE 6 CO 0.05 0.52 0.15 -0.54 -1.23 0.00 0.00 174.94 173.89 1jml s LYS 7 N 0.70 3.11 -0.16 2.79 -0.14 -1.26 -0.66 119.74 124.12 1jml s LYS 7 Ca -0.07 -0.87 -0.15 0.00 -1.36 0.00 0.00 55.97 53.52 1jml s LYS 7 Cb -0.16 -3.56 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 1jml s LYS 7 CO 0.02 -0.51 0.33 0.00 -0.76 0.00 0.00 175.35 174.43 1jml s ALA 8 N 1.56 3.56 -0.31 5.17 0.00 0.61 -4.96 121.76 127.39 1jml s ALA 8 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1jml s ALA 8 Cb -0.18 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1jml s ALA 8 CO 0.05 0.05 0.06 1.21 0.00 0.00 0.00 175.76 177.13 1jml s ASN 9 N 0.54 5.08 -0.31 0.00 2.47 -1.26 -1.81 114.94 119.65 1jml s ASN 9 Ca 0.18 -1.09 -0.14 0.00 0.42 0.00 0.00 52.86 52.23 1jml s ASN 9 Cb -0.13 -1.81 -0.03 0.00 -1.45 0.00 0.00 41.25 37.83 1jml s ASN 9 CO 0.05 -0.27 0.34 -0.76 -3.72 0.00 0.00 177.10 172.74 1jml s LEU 10 N 1.37 4.22 -0.24 3.21 1.02 0.13 -4.97 118.68 123.43 1jml s LEU 10 Ca -0.02 -0.00 -0.05 0.00 0.02 0.00 0.00 54.13 54.08 1jml s LEU 10 Cb -0.19 -2.34 -0.01 0.00 0.02 0.00 0.00 46.19 43.68 1jml s LEU 10 CO 0.01 -0.24 -0.01 -0.63 0.02 0.00 0.00 176.35 175.50 1jml s ILE 11 N 2.00 3.56 0.48 -0.59 1.01 -1.26 -1.28 121.20 125.11 1jml s ILE 11 Ca 0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1jml s ILE 11 Cb -0.16 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 1jml s ILE 11 CO 0.11 0.35 0.72 -0.36 0.00 0.00 0.00 174.94 175.76 1jml s PHE 12 N 1.49 3.25 0.30 3.97 0.08 -0.28 -4.99 117.98 121.80 1jml s PHE 12 Ca 0.05 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.47 1jml s PHE 12 Cb -0.15 -2.39 0.62 0.00 -0.57 0.00 0.00 43.02 40.54 1jml s PHE 12 CO -0.02 -0.44 1.84 0.00 -0.10 0.00 0.00 175.22 176.51 1jml h ALA 13 N 0.28 1.60 0.00 5.36 0.00 -1.86 -0.94 119.26 123.70 1jml h ALA 13 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jml h ALA 13 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jml h ALA 13 CO 0.58 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.25 1jml n ASN 14 N -4.61 0.00 0.00 0.00 2.04 -1.26 -4.87 115.26 106.55 1jml n ASN 14 Ca 0.19 -1.50 0.00 0.00 -0.44 0.00 0.00 54.58 52.83 1jml n ASN 14 Cb 0.39 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1jml n ASN 14 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jml n GLY 15 N 0.65 1.91 3.80 4.83 0.00 -0.36 -5.05 105.19 110.97 1jml n GLY 15 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1jml n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jml s SER 16 N -2.14 5.20 0.20 1.61 1.04 -1.26 -4.78 113.70 113.58 1jml s SER 16 Ca 0.00 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 1jml s SER 16 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1jml s SER 16 CO 0.00 -1.57 0.11 0.42 0.98 0.00 0.00 173.24 173.19 1jml s THR 17 N -2.80 0.13 -0.10 2.02 -4.23 -1.26 -1.13 115.64 108.27 1jml s THR 17 Ca 0.61 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 1jml s THR 17 Cb -0.16 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.24 1jml s THR 17 CO 0.50 -0.05 0.35 -1.58 -0.54 0.00 0.00 174.62 173.30 1jml s GLN 18 N -4.12 0.51 0.11 3.99 0.74 -0.41 -4.99 119.66 115.49 1jml s GLN 18 Ca 0.37 0.28 0.08 0.00 0.05 0.00 0.00 55.36 56.14 1jml s GLN 18 Cb 0.07 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.39 1jml s GLN 18 CO 0.11 -0.10 -0.19 0.95 -0.55 0.00 0.00 175.29 175.51 1jml s THR 19 N -0.30 1.62 0.10 -0.34 -4.23 -1.26 0.22 115.64 111.44 1jml s THR 19 Ca -0.04 -1.58 -0.13 0.00 -1.18 0.00 0.00 61.69 58.76 1jml s THR 19 Cb -0.03 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.30 1jml s THR 19 CO 0.02 -0.14 0.30 0.00 -0.54 0.00 0.00 174.62 174.26 1jml s ALA 20 N -1.37 -0.62 0.01 3.99 0.00 -0.75 -5.00 121.76 118.03 1jml s ALA 20 Ca 0.07 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.85 1jml s ALA 20 Cb -0.09 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 1jml s ALA 20 CO 0.04 -0.55 -0.23 -1.21 0.00 0.00 0.00 175.76 173.81 1jml s GLU 21 N -3.61 2.04 0.03 0.00 2.02 -1.26 -0.28 118.70 117.62 1jml s GLU 21 Ca 0.02 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.06 1jml s GLU 21 Cb 0.03 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 1jml s GLU 21 CO -0.10 0.55 -0.08 -0.06 0.02 0.00 0.00 175.26 175.59 1jml s PHE 22 N -0.77 0.66 0.07 1.61 0.08 0.17 -4.99 117.98 114.82 1jml s PHE 22 Ca 0.12 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.86 1jml s PHE 22 Cb -0.10 -0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1jml s PHE 22 CO 0.02 -0.04 -0.09 0.15 -0.10 0.00 0.00 175.22 175.15 1jml s LYS 23 N -1.03 0.71 0.00 0.44 1.02 -1.26 -0.03 119.74 119.58 1jml s LYS 23 Ca -0.05 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1jml s LYS 23 Cb -0.07 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 1jml s LYS 23 CO 0.00 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 1jml n GLY 24 N 0.91 0.70 3.76 -3.33 0.00 -0.95 -4.46 105.19 101.83 1jml n GLY 24 Ca -0.19 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1jml n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jml s THR 25 N -3.06 2.89 0.17 2.61 -4.23 -1.26 -0.64 115.64 112.13 1jml s THR 25 Ca 0.00 0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 60.67 1jml s THR 25 Cb 0.00 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 71.01 1jml s THR 25 CO 0.00 -0.38 1.79 0.15 -0.54 0.00 0.00 174.62 175.64 1jml h PHE 26 N -1.30 0.77 -0.54 3.99 3.57 -1.91 0.11 116.94 121.63 1jml h PHE 26 Ca -0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1jml h PHE 26 Cb 1.27 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1jml h PHE 26 CO 0.45 0.55 0.35 0.93 -2.23 0.00 0.00 178.31 178.36 1jml h GLU 27 N 0.76 0.71 0.05 1.11 3.07 -1.99 -0.98 114.58 117.31 1jml h GLU 27 Ca 0.20 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1jml h GLU 27 Cb 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1jml h GLU 27 CO -0.03 0.48 -0.03 -0.22 -1.40 0.00 0.00 179.01 177.81 1jml h LYS 28 N 0.73 -0.07 -0.65 2.33 3.11 -1.85 -2.36 116.57 117.81 1jml h LYS 28 Ca 0.20 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1jml h LYS 28 Cb -0.08 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.12 1jml h LYS 28 CO -0.04 0.42 0.39 0.00 -2.81 0.00 0.00 179.45 177.41 1jml h ALA 29 N 0.29 0.86 -0.14 5.00 0.00 -0.77 -1.86 119.26 122.64 1jml h ALA 29 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1jml h ALA 29 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jml h ALA 29 CO 0.01 0.11 -0.56 1.79 0.00 0.00 0.00 179.25 180.61 1jml h THR 30 N 0.74 1.34 -0.21 0.00 1.35 -1.25 -2.28 112.91 112.60 1jml h THR 30 Ca 0.27 -1.83 -0.08 0.00 -0.55 0.00 0.00 66.41 64.22 1jml h THR 30 Cb 0.08 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1jml h THR 30 CO -0.13 0.56 -0.22 0.77 -0.25 0.00 0.00 175.52 176.24 1jml h SER 31 N 0.33 0.37 -0.36 5.36 4.64 -1.07 0.46 113.55 123.27 1jml h SER 31 Ca 0.00 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.05 1jml h SER 31 Cb 1.07 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1jml h SER 31 CO 0.10 0.60 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.92 1jml h GLU 32 N 0.34 0.91 -0.72 4.77 5.08 -1.18 -0.54 114.58 123.25 1jml h GLU 32 Ca 0.06 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1jml h GLU 32 Cb 0.58 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1jml h GLU 32 CO 0.04 1.15 0.32 0.00 -1.00 0.00 0.00 179.01 179.52 1jml h ALA 33 N 0.75 0.93 -0.15 3.43 0.00 -0.96 -1.22 119.26 122.03 1jml h ALA 33 Ca 0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1jml h ALA 33 Cb 1.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1jml h ALA 33 CO 0.10 0.52 -0.53 1.88 0.00 0.00 0.00 179.25 181.22 1jml h TYR 34 N 1.01 0.53 -0.69 0.00 0.05 -0.80 -1.27 116.97 115.80 1jml h TYR 34 Ca 0.24 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 1jml h TYR 34 Cb 0.16 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1jml h TYR 34 CO 0.01 0.86 0.18 0.00 -1.05 0.00 0.00 178.16 178.17 1jml h ALA 35 N 1.10 1.01 -0.34 3.88 0.00 -0.81 -0.58 119.26 123.51 1jml h ALA 35 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1jml h ALA 35 Cb 1.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jml h ALA 35 CO 0.09 0.65 0.06 -0.92 0.00 0.00 0.00 179.25 179.14 1jml h TYR 36 N 1.04 0.60 -0.89 0.00 3.20 -1.00 -2.72 116.97 117.20 1jml h TYR 36 Ca 0.22 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1jml h TYR 36 Cb 0.34 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1jml h TYR 36 CO 0.03 0.62 0.55 0.00 -1.64 0.00 0.00 178.16 177.72 1jml h ALA 37 N 0.91 1.30 0.00 1.82 0.00 -0.91 -1.97 119.26 120.40 1jml h ALA 37 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jml h ALA 37 Cb 0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jml h ALA 37 CO 0.01 0.62 -0.09 -0.44 0.00 0.00 0.00 179.25 179.35 1jml h ASP 38 N 1.22 0.00 1.02 0.00 3.32 -0.81 -0.88 116.42 120.29 1jml h ASP 38 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1jml h ASP 38 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1jml h ASP 38 CO -0.06 0.09 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 1jml n THR 39 N -4.22 0.72 1.00 0.35 -2.24 -0.75 -2.63 114.28 106.52 1jml n THR 39 Ca -0.03 0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1jml n THR 39 Cb 0.17 -0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 67.41 1jml n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jml n LEU 40 N -2.22 1.47 -0.16 3.22 4.77 -0.36 -4.43 117.00 119.31 1jml n LEU 40 Ca 0.04 -0.62 0.03 0.00 -0.03 0.00 0.00 56.01 55.42 1jml n LEU 40 Cb 0.31 -0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.71 1jml n LEU 40 CO 0.24 0.31 1.22 0.11 -1.33 0.00 0.00 177.39 177.93 1jml h LYS 41 N 1.12 0.83 -0.53 3.23 1.57 -1.25 -0.29 116.57 121.24 1jml h LYS 41 Ca 0.00 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1jml h LYS 41 Cb 0.62 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 1jml h LYS 41 CO 0.00 0.55 0.10 0.87 -0.57 0.00 0.00 179.45 180.39 1jml h LYS 42 N 0.85 0.22 0.00 3.15 1.57 -1.77 -0.32 116.57 120.27 1jml h LYS 42 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1jml h LYS 42 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1jml h LYS 42 CO -0.06 0.15 -1.52 -0.25 -0.57 0.00 0.00 179.45 177.19 1jml n ASP 43 N -5.13 0.42 -0.13 0.86 8.00 -1.12 -4.61 116.55 114.85 1jml n ASP 43 Ca 0.06 -0.33 0.02 0.00 0.71 0.00 0.00 54.79 55.26 1jml n ASP 43 Cb 0.27 1.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 1jml n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jml n ASN 44 N -2.00 0.97 0.00 -2.24 3.02 -0.14 -5.13 115.26 109.75 1jml n ASN 44 Ca -0.01 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1jml n ASN 44 Cb 0.48 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1jml n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jml n GLY 45 N 0.58 -2.90 3.78 7.41 0.00 -0.14 -4.79 105.19 109.13 1jml n GLY 45 Ca 0.02 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1jml n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jml s GLU 46 N -0.66 3.98 0.22 1.61 2.02 -1.26 -4.36 118.70 120.24 1jml s GLU 46 Ca 0.00 1.58 0.10 0.00 0.02 0.00 0.00 54.97 56.67 1jml s GLU 46 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 1jml s GLU 46 CO 0.00 -0.31 -0.19 1.67 0.02 0.00 0.00 175.26 176.44 1jml s TRP 47 N -1.67 2.04 0.17 1.61 1.48 -1.26 -5.12 118.94 116.19 1jml s TRP 47 Ca 0.61 -0.43 0.06 0.00 -1.06 0.00 0.00 56.10 55.29 1jml s TRP 47 Cb -0.23 -0.95 -0.04 0.00 -1.16 0.00 0.00 33.47 31.08 1jml s TRP 47 CO 0.29 0.49 -0.13 0.95 -4.06 0.00 0.00 176.95 174.49 1jml s THR 48 N -2.32 1.50 0.04 0.66 -4.23 -1.26 -5.16 115.64 104.87 1jml s THR 48 Ca 0.23 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1jml s THR 48 Cb -0.05 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1jml s THR 48 CO 0.10 -0.59 -0.10 0.54 -0.54 0.00 0.00 174.62 174.03 1jml s VAL 49 N -2.86 0.72 -0.10 2.29 0.11 -1.26 -5.10 120.40 114.21 1jml s VAL 49 Ca 0.18 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1jml s VAL 49 Cb -0.01 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1jml s VAL 49 CO 0.04 -0.27 -0.17 -0.62 -3.33 0.00 0.00 175.10 170.76 1jml s ASP 50 N -1.45 2.49 -0.29 3.54 2.15 -1.26 -5.11 116.67 116.74 1jml s ASP 50 Ca -0.06 -0.44 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 1jml s ASP 50 Cb -0.09 -1.13 -0.04 0.00 -0.30 0.00 0.00 42.92 41.36 1jml s ASP 50 CO 0.01 0.05 0.24 -0.69 -0.17 0.00 0.00 175.17 174.62 1jml s VAL 51 N 0.77 5.27 -0.25 1.11 1.01 -1.26 -5.06 120.40 121.99 1jml s VAL 51 Ca -0.11 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1jml s VAL 51 Cb -0.16 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1jml s VAL 51 CO 0.02 0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.56 1jml s VAL 52 N 1.84 1.75 0.50 2.92 1.01 -1.26 -5.08 120.40 122.08 1jml s VAL 52 Ca 0.09 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1jml s VAL 52 Cb -0.16 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1jml s VAL 52 CO 0.11 -0.11 1.21 -2.16 0.00 0.00 0.00 175.10 174.15 1jml s PRO 53 N 1.28 3.50 0.00 2.72 0.04 -1.26 -4.95 135.00 136.34 1jml s PRO 53 Ca -0.06 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1jml s PRO 53 Cb -0.19 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1jml s PRO 53 CO -0.06 -0.79 0.00 1.63 0.04 0.00 0.00 177.00 177.82 1jml n LYS 54 N -0.79 1.77 -3.83 4.56 4.76 -1.26 -5.08 118.16 118.29 1jml n LYS 54 Ca 0.09 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1jml n LYS 54 Cb 0.48 -0.93 -0.10 0.00 -1.84 0.00 0.00 35.03 32.64 1jml n LYS 54 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jml s ALA 55 N -1.76 -0.46 0.04 7.82 0.00 -1.26 -5.17 121.76 120.97 1jml s ALA 55 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1jml s ALA 55 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1jml s ALA 55 CO 0.00 -0.19 -0.02 0.71 0.00 0.00 0.00 175.76 176.26 1jml s TYR 56 N -0.97 0.45 -0.09 0.00 1.51 -1.26 -5.14 117.35 111.85 1jml s TYR 56 Ca -0.11 -0.94 0.02 0.00 -1.01 0.00 0.00 57.07 55.04 1jml s TYR 56 Cb -0.06 -0.34 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1jml s TYR 56 CO 0.02 -0.35 -0.17 0.99 -1.11 0.00 0.00 175.55 174.93 1jml s THR 57 N -3.40 2.72 -0.21 -0.71 2.01 -1.26 -5.10 115.64 109.68 1jml s THR 57 Ca 0.02 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1jml s THR 57 Cb 0.04 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1jml s THR 57 CO -0.08 0.55 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.58 1jml s LEU 58 N 0.02 2.83 -0.43 4.42 1.43 -1.26 -5.07 118.68 120.62 1jml s LEU 58 Ca -0.06 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1jml s LEU 58 Cb -0.15 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.40 1jml s LEU 58 CO 0.05 -0.01 0.34 0.20 0.23 0.00 0.00 176.35 177.15 1jml s ASN 59 N 1.40 6.12 -0.31 2.29 0.02 -1.26 -5.04 114.94 118.17 1jml s ASN 59 Ca 0.05 -1.05 -0.07 0.00 -1.02 0.00 0.00 52.86 50.76 1jml s ASN 59 Cb -0.14 -2.17 0.01 0.00 0.02 0.00 0.00 41.25 38.97 1jml s ASN 59 CO -0.04 -0.52 0.10 -0.63 0.02 0.00 0.00 177.10 176.03 1jml s ILE 60 N 1.67 4.06 -0.17 0.60 1.01 -1.26 -5.09 121.20 122.02 1jml s ILE 60 Ca 0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1jml s ILE 60 Cb -0.21 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1jml s ILE 60 CO 0.09 0.04 -0.02 -0.75 0.00 0.00 0.00 174.94 174.30 1jml s LYS 61 N 1.51 3.68 -0.09 2.79 2.47 -1.26 -5.10 119.74 123.73 1jml s LYS 61 Ca 0.02 -0.51 -0.11 0.00 -1.56 0.00 0.00 55.97 53.82 1jml s LYS 61 Cb -0.17 -2.99 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 1jml s LYS 61 CO 0.03 0.17 0.26 -0.06 0.16 0.00 0.00 175.35 175.91 1jml s PHE 62 N 0.56 3.61 -0.19 4.03 0.40 -1.26 -5.01 117.98 120.11 1jml s PHE 62 Ca -0.02 0.69 0.17 0.00 -0.60 0.00 0.00 56.93 57.17 1jml s PHE 62 Cb -0.14 -2.14 0.04 0.00 0.51 0.00 0.00 43.02 41.29 1jml s PHE 62 CO 0.02 0.59 1.27 0.00 0.70 0.00 0.00 175.22 177.81 1jml h ALA 63 N 5.29 0.69 0.00 5.36 0.00 -2.08 -3.58 119.26 124.95 1jml h ALA 63 Ca -0.51 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1jml h ALA 63 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jml h ALA 63 CO 0.63 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.84