#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1or4 s THR 11 N 0.00 5.16 0.22 6.31 2.01 -1.26 -5.13 115.64 122.95 1or4 s THR 11 Ca 0.00 -0.33 0.12 0.00 0.31 0.00 0.00 61.69 61.78 1or4 s THR 11 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1or4 s THR 11 CO 0.00 -0.26 -0.23 0.00 -0.69 0.00 0.00 174.62 173.44 1or4 s ALA 12 N -1.98 2.60 -0.12 7.40 0.00 -1.26 -5.03 121.76 123.37 1or4 s ALA 12 Ca 0.39 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1or4 s ALA 12 Cb -0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 23.12 22.58 1or4 s ALA 12 CO 0.30 0.39 0.38 -0.92 0.00 0.00 0.00 175.76 175.91 1or4 h TYR 13 N 2.93 -0.00 -3.76 0.00 3.20 -1.99 -3.45 116.97 113.90 1or4 h TYR 13 Ca -0.45 -0.00 -0.49 0.00 3.14 0.00 0.00 58.73 60.94 1or4 h TYR 13 Cb 1.22 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1or4 h TYR 13 CO 0.72 0.49 0.28 -0.06 -1.64 0.00 0.00 178.16 177.95 1or4 s PHE 14 N -1.89 3.77 0.31 -3.82 0.08 -1.26 -5.07 117.98 110.10 1or4 s PHE 14 Ca -0.09 1.72 -0.28 0.00 0.12 0.00 0.00 56.93 58.39 1or4 s PHE 14 Cb -0.01 -2.86 -0.10 0.00 -0.57 0.00 0.00 43.02 39.48 1or4 s PHE 14 CO 0.34 0.32 1.14 0.45 -0.10 0.00 0.00 175.22 177.37 1or4 s SER 15 N -1.48 7.06 0.00 1.36 0.15 -1.26 -5.02 113.70 114.51 1or4 s SER 15 Ca 0.45 2.34 0.09 0.00 0.70 0.00 0.00 55.95 59.53 1or4 s SER 15 Cb -0.20 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 61.62 1or4 s SER 15 CO 0.25 -0.30 0.95 -0.67 1.20 0.00 0.00 173.24 174.67 1or4 n ASP 16 N 0.90 2.15 -2.88 5.45 2.03 -1.26 -4.99 116.55 117.96 1or4 n ASP 16 Ca 0.00 -1.62 -0.12 0.00 0.52 0.00 0.00 54.79 53.57 1or4 n ASP 16 Cb 0.45 -0.07 -0.13 0.00 -0.72 0.00 0.00 41.12 40.65 1or4 n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1or4 n SER 17 N 0.46 -1.01 0.31 1.67 2.88 -1.26 -4.75 113.62 111.92 1or4 n SER 17 Ca 0.07 -0.44 0.18 0.00 -1.33 0.00 0.00 58.87 57.35 1or4 n SER 17 Cb 0.30 -0.35 1.02 0.00 -0.75 0.00 0.00 64.21 64.42 1or4 n SER 17 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1or4 h ASN 18 N 6.95 0.00 -0.95 -3.46 4.21 -1.99 0.54 115.58 120.87 1or4 h ASN 18 Ca 0.02 0.00 0.11 0.00 1.21 0.00 0.00 56.30 57.64 1or4 h ASN 18 Cb 0.72 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.85 1or4 h ASN 18 CO 1.00 0.02 0.61 1.23 -1.29 0.00 0.00 177.43 178.99 1or4 h GLY 19 N 0.21 1.45 2.00 2.83 0.00 -2.03 -2.79 103.07 104.74 1or4 h GLY 19 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1or4 h GLY 19 CO 0.00 0.19 -0.01 -1.61 0.00 0.00 0.00 176.54 175.11 1or4 h GLN 20 N 0.94 0.00 -0.64 4.80 5.75 -0.28 -3.37 115.11 122.31 1or4 h GLN 20 Ca 0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 1or4 h GLN 20 Cb 0.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1or4 h GLN 20 CO -0.22 0.01 0.00 0.00 -2.65 0.00 0.00 178.83 175.98 1or4 n GLN 21 N -3.10 3.04 -2.30 1.69 10.64 -1.05 -4.96 117.38 121.33 1or4 n GLN 21 Ca 0.03 -2.64 -0.25 0.00 -1.83 0.00 0.00 57.00 52.32 1or4 n GLN 21 Cb 0.50 -1.62 0.06 0.00 -0.86 0.00 0.00 30.24 28.32 1or4 n GLN 21 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1or4 s LYS 22 N -1.29 2.23 -1.32 2.61 1.02 -1.26 -4.32 119.74 117.41 1or4 s LYS 22 Ca 0.45 -0.40 -0.02 0.00 0.02 0.00 0.00 55.97 56.03 1or4 s LYS 22 Cb 0.26 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1or4 s LYS 22 CO 0.27 -1.15 0.13 0.09 -0.92 0.00 0.00 175.35 173.77 1or4 n ASN 23 N -2.81 -4.64 -0.67 2.83 3.02 -1.26 -4.88 115.26 106.86 1or4 n ASN 23 Ca 0.08 0.02 0.09 0.00 -0.03 0.00 0.00 54.58 54.74 1or4 n ASN 23 Cb 0.60 -3.88 0.29 0.00 -0.61 0.00 0.00 39.78 36.18 1or4 n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1or4 n ARG 24 N -3.11 1.86 -4.05 3.52 1.74 -1.26 -4.59 116.66 110.77 1or4 n ARG 24 Ca -0.15 -1.31 -0.32 0.00 -0.77 0.00 0.00 57.85 55.30 1or4 n ARG 24 Cb 0.62 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.54 1or4 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1or4 s ILE 25 N -1.65 2.02 -0.54 0.55 1.01 -1.26 -1.04 121.20 120.29 1or4 s ILE 25 Ca 0.31 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1or4 s ILE 25 Cb 0.17 -2.11 0.14 0.00 0.01 0.00 0.00 42.46 40.67 1or4 s ILE 25 CO 0.24 0.06 0.32 -1.10 0.00 0.00 0.00 174.94 174.45 1or4 s GLN 26 N 1.19 1.87 -0.03 2.79 -1.52 -0.67 -5.01 119.66 118.29 1or4 s GLN 26 Ca -0.06 -2.63 0.05 0.00 -1.95 0.00 0.00 55.36 50.78 1or4 s GLN 26 Cb -0.19 -2.99 -0.01 0.00 -0.22 0.00 0.00 33.01 29.60 1or4 s GLN 26 CO -0.07 -1.18 -0.19 -0.51 -0.25 0.00 0.00 175.29 173.09 1or4 s LEU 27 N -0.41 1.99 0.00 2.90 1.43 -1.26 -2.60 118.68 120.73 1or4 s LEU 27 Ca 0.20 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1or4 s LEU 27 Cb -0.18 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1or4 s LEU 27 CO -0.05 0.21 0.00 0.35 0.23 0.00 0.00 176.35 177.08 1or4 n THR 28 N 2.83 0.00 0.55 5.49 -2.24 -1.26 -4.97 114.28 114.68 1or4 n THR 28 Ca -0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1or4 n THR 28 Cb 0.53 -1.35 0.45 0.00 -2.10 0.00 0.00 70.33 67.86 1or4 n THR 28 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1or4 n ASN 29 N -3.00 0.70 -0.29 3.42 4.13 -1.26 -2.34 115.26 116.62 1or4 n ASN 29 Ca 0.00 0.61 0.04 0.00 1.68 0.00 0.00 54.58 56.91 1or4 n ASN 29 Cb 0.00 -0.78 0.25 0.00 -1.54 0.00 0.00 39.78 37.71 1or4 n ASN 29 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1or4 h LYS 30 N 0.00 0.97 -1.32 3.52 6.56 -2.04 -2.83 116.57 121.43 1or4 h LYS 30 Ca 0.00 -0.06 -0.67 0.00 -1.06 0.00 0.00 60.65 58.86 1or4 h LYS 30 Cb 0.57 -0.22 -0.33 0.00 -0.57 0.00 0.00 32.23 31.68 1or4 h LYS 30 CO 0.00 0.64 0.42 0.72 -2.06 0.00 0.00 179.45 179.18 1or4 n HIS 31 N -4.49 3.10 -0.10 -1.35 8.25 -0.99 -4.76 115.22 114.88 1or4 n HIS 31 Ca 0.13 -2.69 -0.08 0.00 -0.26 0.00 0.00 57.72 54.82 1or4 n HIS 31 Cb 0.20 -1.00 0.09 0.00 1.12 0.00 0.00 29.99 30.39 1or4 n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1or4 h ALA 32 N 2.40 0.88 -0.03 -1.41 0.00 -1.56 -1.72 119.26 117.83 1or4 h ALA 32 Ca 0.51 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1or4 h ALA 32 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1or4 h ALA 32 CO 1.30 0.63 -0.40 -0.44 0.00 0.00 0.00 179.25 180.34 1or4 h ASP 33 N 0.71 0.06 0.39 0.00 3.45 -1.87 -3.20 116.42 115.95 1or4 h ASP 33 Ca 0.10 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 1or4 h ASP 33 Cb 0.70 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1or4 h ASP 33 CO 0.05 0.46 -0.19 0.58 -1.57 0.00 0.00 179.24 178.57 1or4 h VAL 34 N 0.05 0.80 0.00 -1.35 2.07 -1.69 -0.94 116.25 115.20 1or4 h VAL 34 Ca 0.00 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1or4 h VAL 34 Cb 0.74 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1or4 h VAL 34 CO 0.05 0.19 -0.42 0.11 0.02 0.00 0.00 177.57 177.52 1or4 h LYS 35 N 0.00 0.00 0.03 1.57 1.57 -1.56 -1.81 116.57 116.38 1or4 h LYS 35 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1or4 h LYS 35 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1or4 h LYS 35 CO 0.03 0.42 -0.02 0.87 -0.57 0.00 0.00 179.45 180.18 1or4 h LYS 36 N 0.00 -0.04 -0.85 3.15 1.57 -1.32 -2.78 116.57 116.29 1or4 h LYS 36 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1or4 h LYS 36 Cb 0.82 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.04 1or4 h LYS 36 CO 0.05 0.38 0.41 1.96 -0.57 0.00 0.00 179.45 181.68 1or4 h GLN 37 N -0.48 0.53 -0.11 3.15 4.20 -1.26 -0.78 115.11 120.37 1or4 h GLN 37 Ca -0.00 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1or4 h GLN 37 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1or4 h GLN 37 CO 0.01 0.35 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.94 1or4 h LEU 38 N 0.55 0.33 -0.58 1.46 3.38 -1.37 -2.42 115.31 116.66 1or4 h LEU 38 Ca 0.48 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 1or4 h LEU 38 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1or4 h LEU 38 CO -0.41 0.78 -0.19 0.50 0.09 0.00 0.00 178.44 179.22 1or4 h LYS 39 N 0.24 0.93 -0.42 1.13 3.64 -0.95 0.64 116.57 121.78 1or4 h LYS 39 Ca 0.01 -0.38 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 1or4 h LYS 39 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1or4 h LYS 39 CO 0.08 1.04 -0.32 0.52 -2.27 0.00 0.00 179.45 178.50 1or4 h MET 40 N 0.82 0.96 -0.54 1.90 0.00 -1.12 -2.45 114.93 114.50 1or4 h MET 40 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 59.70 59.35 1or4 h MET 40 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.34 1or4 h MET 40 CO 0.06 1.13 0.00 1.33 0.00 0.00 0.00 176.91 179.43 1or4 n VAL 41 N -4.09 0.82 -3.89 -2.22 0.24 -0.92 -4.87 118.33 103.40 1or4 n VAL 41 Ca -0.01 -0.55 -0.28 0.00 -2.04 0.00 0.00 64.34 61.45 1or4 n VAL 41 Cb 0.51 -0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.87 1or4 n VAL 41 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1or4 n ARG 42 N 0.43 -5.17 -3.09 7.34 1.74 -0.80 -4.90 116.66 112.21 1or4 n ARG 42 Ca 0.12 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.35 1or4 n ARG 42 Cb 0.46 -5.35 -0.06 0.00 -1.02 0.00 0.00 32.46 26.49 1or4 n ARG 42 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1or4 s LEU 43 N -7.14 4.59 0.00 0.55 2.96 0.22 -4.86 118.68 115.00 1or4 s LEU 43 Ca 0.49 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1or4 s LEU 43 Cb -0.25 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1or4 s LEU 43 CO 0.83 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1or4 n GLY 44 N 5.09 4.40 0.33 7.98 0.00 -1.26 -4.53 105.19 117.19 1or4 n GLY 44 Ca -0.03 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1or4 n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1or4 h ASP 45 N 0.00 -1.06 -0.93 1.61 5.19 -1.95 0.44 116.42 119.72 1or4 h ASP 45 Ca 0.00 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1or4 h ASP 45 Cb 0.00 0.51 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 1or4 h ASP 45 CO 0.00 -0.31 0.55 0.00 -3.12 0.00 0.00 179.24 176.37 1or4 h ALA 46 N 0.86 1.23 -0.19 3.45 0.00 -1.97 0.33 119.26 122.97 1or4 h ALA 46 Ca 0.19 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1or4 h ALA 46 Cb 0.53 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1or4 h ALA 46 CO -0.57 0.66 -0.59 0.93 0.00 0.00 0.00 179.25 179.67 1or4 h GLU 47 N 1.28 0.63 -0.22 0.00 3.07 -1.57 -2.08 114.58 115.70 1or4 h GLU 47 Ca 0.33 -0.42 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 1or4 h GLU 47 Cb -0.05 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1or4 h GLU 47 CO -0.06 1.04 -0.21 -0.07 -1.40 0.00 0.00 179.01 178.30 1or4 h LEU 48 N 0.47 0.38 -1.20 1.33 3.38 0.53 0.20 115.31 120.39 1or4 h LEU 48 Ca -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1or4 h LEU 48 Cb 1.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1or4 h LEU 48 CO 0.12 0.61 -0.40 0.22 0.09 0.00 0.00 178.44 179.08 1or4 h TYR 49 N 0.35 0.01 -0.34 1.13 -0.00 -0.16 -0.61 116.97 117.35 1or4 h TYR 49 Ca 0.06 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.71 1or4 h TYR 49 Cb 0.57 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.29 1or4 h TYR 49 CO 0.01 0.40 -0.09 0.28 -0.00 0.00 0.00 178.16 178.77 1or4 h VAL 50 N 0.00 1.28 -0.45 1.81 2.07 -0.51 -2.41 116.25 118.04 1or4 h VAL 50 Ca -0.00 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1or4 h VAL 50 Cb 0.70 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1or4 h VAL 50 CO 0.05 0.38 0.09 -0.07 0.02 0.00 0.00 177.57 178.04 1or4 h LEU 51 N 0.44 0.02 -1.94 2.57 3.38 -0.42 -1.03 115.31 118.33 1or4 h LEU 51 Ca 0.09 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1or4 h LEU 51 Cb 0.59 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1or4 h LEU 51 CO 0.03 0.04 0.11 -0.08 0.09 0.00 0.00 178.44 178.63 1or4 h GLU 52 N 0.23 0.08 0.00 1.13 4.81 -0.90 -1.17 114.58 118.75 1or4 h GLU 52 Ca 0.22 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1or4 h GLU 52 Cb 0.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1or4 h GLU 52 CO -0.28 0.05 -0.32 1.04 -0.73 0.00 0.00 179.01 178.77 1or4 n GLN 53 N -4.51 0.14 0.08 1.92 6.02 -0.43 -3.41 117.38 117.20 1or4 n GLN 53 Ca 0.00 0.07 0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1or4 n GLN 53 Cb 0.18 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 1or4 n GLN 53 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1or4 h LEU 54 N 0.00 0.00 -0.93 1.08 3.38 -0.81 -3.39 115.31 114.64 1or4 h LEU 54 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1or4 h LEU 54 Cb 0.62 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.20 1or4 h LEU 54 CO 0.00 0.48 -0.17 -0.61 0.09 0.00 0.00 178.44 178.24 1or4 h GLN 55 N 0.00 0.01 -0.55 1.13 4.15 -1.51 0.40 115.11 118.74 1or4 h GLN 55 Ca -0.08 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.41 1or4 h GLN 55 Cb 1.44 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 1or4 h GLN 55 CO 0.05 0.01 0.22 -1.35 -1.93 0.00 0.00 178.83 175.83 1or4 h PRO 56 N 0.01 0.41 -0.48 -2.39 0.11 -1.80 0.85 132.00 128.70 1or4 h PRO 56 Ca 0.47 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.63 1or4 h PRO 56 Cb 0.79 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 1or4 h PRO 56 CO -0.93 0.27 0.16 -0.07 -0.21 0.00 0.00 178.00 177.22 1or4 h LEU 57 N 0.42 0.15 -0.10 2.35 3.38 -0.52 0.16 115.31 121.15 1or4 h LEU 57 Ca 0.26 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1or4 h LEU 57 Cb 0.27 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1or4 h LEU 57 CO -0.24 0.11 -0.08 0.40 0.09 0.00 0.00 178.44 178.72 1or4 h ILE 58 N 0.33 1.35 0.12 1.22 1.08 -0.41 -1.81 117.51 119.38 1or4 h ILE 58 Ca 0.23 -1.20 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 1or4 h ILE 58 Cb 0.25 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 1or4 h ILE 58 CO -0.25 0.34 -0.49 -0.61 -0.69 0.00 0.00 178.15 176.46 1or4 h GLN 59 N -0.16 -0.69 -0.53 2.37 4.15 0.79 0.26 115.11 121.29 1or4 h GLN 59 Ca 0.02 0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.64 1or4 h GLN 59 Cb 0.58 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1or4 h GLN 59 CO 0.02 -0.46 0.46 1.49 -1.93 0.00 0.00 178.83 178.41 1or4 h GLU 60 N -0.72 0.00 -0.28 1.69 4.57 -0.51 -1.97 114.58 117.36 1or4 h GLU 60 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1or4 h GLU 60 Cb 0.73 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1or4 h GLU 60 CO -0.27 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.65 1or4 n ASN 61 N -3.99 2.73 0.25 1.04 4.13 -0.70 -4.71 115.26 114.01 1or4 n ASN 61 Ca 0.10 -1.90 0.08 0.00 1.68 0.00 0.00 54.58 54.54 1or4 n ASN 61 Cb 0.68 -0.19 0.61 0.00 -1.54 0.00 0.00 39.78 39.34 1or4 n ASN 61 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 1or4 h ILE 62 N 2.04 0.98 -0.37 2.41 -0.00 0.30 -2.14 117.51 120.74 1or4 h ILE 62 Ca 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 64.86 64.47 1or4 h ILE 62 Cb 0.68 1.19 -0.01 0.00 -0.00 0.00 0.00 36.82 38.67 1or4 h ILE 62 CO 0.00 0.09 0.03 0.58 -0.00 0.00 0.00 178.15 178.85 1or4 h VAL 63 N 0.00 1.25 -0.83 0.16 2.07 -1.84 0.10 116.25 117.16 1or4 h VAL 63 Ca -0.00 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1or4 h VAL 63 Cb 0.18 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1or4 h VAL 63 CO 0.01 0.31 0.48 0.78 0.02 0.00 0.00 177.57 179.18 1or4 h ASN 64 N 0.46 1.01 -0.72 0.57 2.35 -1.80 -1.78 115.58 115.68 1or4 h ASN 64 Ca 0.11 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1or4 h ASN 64 Cb 0.42 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1or4 h ASN 64 CO 0.01 0.79 0.29 0.40 -1.65 0.00 0.00 177.43 177.28 1or4 h ILE 65 N 1.15 1.25 0.10 2.81 2.04 -0.69 -2.16 117.51 122.01 1or4 h ILE 65 Ca 0.30 -0.77 -0.28 0.00 1.00 0.00 0.00 64.86 65.10 1or4 h ILE 65 Cb -0.02 0.41 0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1or4 h ILE 65 CO -0.05 0.31 -1.19 -0.37 0.00 0.00 0.00 178.15 176.85 1or4 h VAL 66 N 1.03 1.32 -0.24 1.67 -1.51 -0.56 -2.63 116.25 115.33 1or4 h VAL 66 Ca 0.24 -2.51 0.05 0.00 -1.23 0.00 0.00 66.70 63.25 1or4 h VAL 66 Cb 0.21 2.66 -0.05 0.00 -2.13 0.00 0.00 31.29 31.98 1or4 h VAL 66 CO -0.02 0.76 -0.07 0.44 -1.23 0.00 0.00 177.57 177.45 1or4 h ASP 67 N 0.26 -0.26 -0.95 4.19 3.45 -1.29 -1.28 116.42 120.54 1or4 h ASP 67 Ca -0.16 0.08 0.06 0.00 0.43 0.00 0.00 57.03 57.43 1or4 h ASP 67 Cb 1.86 0.17 -0.06 0.00 -0.56 0.00 0.00 39.33 40.73 1or4 h ASP 67 CO 0.22 -0.10 0.62 0.00 -1.57 0.00 0.00 179.24 178.41 1or4 h ALA 68 N 1.21 1.44 -0.20 3.45 0.00 -1.42 -2.09 119.26 121.65 1or4 h ALA 68 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1or4 h ALA 68 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1or4 h ALA 68 CO -0.26 0.43 0.06 0.35 0.00 0.00 0.00 179.25 179.83 1or4 h PHE 69 N 1.12 0.33 -0.09 0.00 3.04 -0.86 -1.42 116.94 119.06 1or4 h PHE 69 Ca 0.40 -0.03 -0.21 0.00 3.98 0.00 0.00 57.97 62.11 1or4 h PHE 69 Cb 0.13 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1or4 h PHE 69 CO -0.00 0.41 -0.79 1.88 -2.02 0.00 0.00 178.31 177.79 1or4 h TYR 70 N 0.16 0.77 -0.44 0.41 0.05 -1.26 -2.59 116.97 114.07 1or4 h TYR 70 Ca 0.07 -0.35 0.09 0.00 0.05 0.00 0.00 58.73 58.58 1or4 h TYR 70 Cb 0.24 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 1or4 h TYR 70 CO 0.00 1.15 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.93 1or4 h LYS 71 N 0.37 0.00 -0.75 4.88 3.64 -1.37 -1.26 116.57 122.08 1or4 h LYS 71 Ca -0.05 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1or4 h LYS 71 Cb 1.39 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 1or4 h LYS 71 CO 0.15 0.00 0.45 -0.97 -2.27 0.00 0.00 179.45 176.81 1or4 h ASN 72 N 0.00 0.70 0.26 4.20 -1.24 -1.10 -2.21 115.58 116.20 1or4 h ASN 72 Ca 0.21 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1or4 h ASN 72 Cb 0.32 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1or4 h ASN 72 CO -0.45 0.46 0.00 0.18 -1.29 0.00 0.00 177.43 176.33 1or4 n LEU 73 N -4.70 0.21 -3.18 0.34 4.77 -0.49 -2.88 117.00 111.07 1or4 n LEU 73 Ca 0.10 0.58 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 1or4 n LEU 73 Cb 0.16 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1or4 n LEU 73 CO 0.31 -0.52 1.68 -0.90 -1.33 0.00 0.00 177.39 176.62 1or4 n ASP 74 N -1.76 7.39 -0.04 -1.43 5.68 -0.83 -2.94 116.55 122.62 1or4 n ASP 74 Ca 0.01 -3.54 0.02 0.00 -0.50 0.00 0.00 54.79 50.78 1or4 n ASP 74 Cb 0.09 -1.19 -0.14 0.00 -1.14 0.00 0.00 41.12 38.74 1or4 n ASP 74 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1or4 n HIS 75 N 0.30 0.00 -3.93 2.11 8.25 -1.14 -4.81 115.22 116.00 1or4 n HIS 75 Ca 0.52 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.68 1or4 n HIS 75 Cb 0.30 -0.58 -0.15 0.00 1.12 0.00 0.00 29.99 30.68 1or4 n HIS 75 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1or4 s GLU 76 N -2.94 1.25 0.41 -0.41 2.56 -1.15 -5.01 118.70 113.41 1or4 s GLU 76 Ca -0.07 -1.62 0.09 0.00 0.00 0.00 0.00 54.97 53.37 1or4 s GLU 76 Cb 0.09 -2.83 0.89 0.00 2.00 0.00 0.00 34.13 34.28 1or4 s GLU 76 CO 0.74 -0.95 2.02 0.66 -0.56 0.00 0.00 175.26 177.17 1or4 h SER 77 N 7.76 0.48 0.70 -1.70 4.64 -1.87 -0.85 113.55 122.70 1or4 h SER 77 Ca -0.07 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1or4 h SER 77 Cb 1.02 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1or4 h SER 77 CO 0.50 0.32 -0.01 0.77 -0.87 0.00 0.00 176.83 177.54 1or4 h SER 78 N 0.55 0.00 0.34 4.97 4.64 -1.95 0.04 113.55 122.14 1or4 h SER 78 Ca 0.22 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.31 1or4 h SER 78 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1or4 h SER 78 CO -0.06 0.01 -0.96 -0.07 -0.87 0.00 0.00 176.83 174.89 1or4 h LEU 79 N 0.00 0.54 -0.79 5.97 3.38 -1.45 -2.14 115.31 120.81 1or4 h LEU 79 Ca -0.00 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1or4 h LEU 79 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1or4 h LEU 79 CO 0.00 1.24 -0.54 0.24 0.09 0.00 0.00 178.44 179.48 1or4 h MET 80 N 0.23 0.18 -0.63 1.13 2.86 -1.36 -1.67 114.93 115.67 1or4 h MET 80 Ca -0.08 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1or4 h MET 80 Cb 1.60 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 1or4 h MET 80 CO 0.17 0.67 0.03 -0.44 1.06 0.00 0.00 176.91 178.40 1or4 h ASP 81 N 0.14 1.06 -0.29 1.22 3.45 -0.90 -0.28 116.42 120.82 1or4 h ASP 81 Ca 0.00 -0.29 0.01 0.00 0.43 0.00 0.00 57.03 57.18 1or4 h ASP 81 Cb 0.99 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.46 1or4 h ASP 81 CO 0.08 1.09 0.16 0.40 -1.57 0.00 0.00 179.24 179.41 1or4 h ILE 82 N 1.00 1.02 -0.18 0.35 2.04 -1.16 0.40 117.51 120.99 1or4 h ILE 82 Ca 0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1or4 h ILE 82 Cb 0.53 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1or4 h ILE 82 CO 0.03 0.06 0.04 0.40 0.00 0.00 0.00 178.15 178.67 1or4 h ILE 83 N 0.34 1.21 0.00 -0.67 2.04 -0.93 -2.52 117.51 116.98 1or4 h ILE 83 Ca 0.12 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1or4 h ILE 83 Cb 0.01 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1or4 h ILE 83 CO -0.06 0.21 -0.29 0.78 0.00 0.00 0.00 178.15 178.79 1or4 h ASN 84 N 0.09 0.00 0.21 1.72 2.35 -0.91 0.74 115.58 119.78 1or4 h ASN 84 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1or4 h ASN 84 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1or4 h ASN 84 CO 0.00 0.29 -0.40 0.44 -1.65 0.00 0.00 177.43 176.12 1or4 h ASP 85 N 0.00 0.26 0.00 5.81 5.19 -0.02 -3.33 116.42 124.33 1or4 h ASP 85 Ca -0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1or4 h ASP 85 Cb 0.73 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1or4 h ASP 85 CO 0.04 0.64 -0.64 1.41 -3.12 0.00 0.00 179.24 177.57 1or4 n HIS 86 N -4.04 0.00 0.00 4.55 8.25 -0.83 -5.08 115.22 118.07 1or4 n HIS 86 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1or4 n HIS 86 Cb 0.47 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1or4 n HIS 86 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1or4 n SER 87 N -1.34 1.21 -3.54 0.41 2.88 0.25 -5.08 113.62 108.41 1or4 n SER 87 Ca 0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1or4 n SER 87 Cb 0.19 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.63 1or4 n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1or4 s SER 88 N 2.00 -0.43 0.12 -3.46 1.04 -1.24 -4.30 113.70 107.43 1or4 s SER 88 Ca 0.00 -0.12 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 1or4 s SER 88 Cb 0.00 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 1or4 s SER 88 CO 0.00 -0.90 1.70 0.58 0.98 0.00 0.00 173.24 175.59 1or4 h VAL 89 N 2.00 0.76 -0.94 5.02 2.07 -1.98 -0.81 116.25 122.38 1or4 h VAL 89 Ca -0.27 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.42 1or4 h VAL 89 Cb 1.27 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1or4 h VAL 89 CO 0.33 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.96 1or4 h ASP 90 N -0.10 0.64 0.67 0.57 3.45 -2.00 0.16 116.42 119.80 1or4 h ASP 90 Ca 0.06 0.06 -0.23 0.00 0.43 0.00 0.00 57.03 57.35 1or4 h ASP 90 Cb 0.19 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.86 1or4 h ASP 90 CO -0.14 0.28 -1.47 -0.09 -1.57 0.00 0.00 179.24 176.24 1or4 h ARG 91 N 0.65 0.00 -0.36 3.56 2.43 -1.82 -3.34 114.38 115.50 1or4 h ARG 91 Ca 0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.56 1or4 h ARG 91 Cb 0.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1or4 h ARG 91 CO -0.26 0.46 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.36 1or4 h LEU 92 N 0.00 0.71 -0.76 3.80 4.07 0.46 -3.09 115.31 120.51 1or4 h LEU 92 Ca -0.20 -0.25 0.17 0.00 0.08 0.00 0.00 57.88 57.68 1or4 h LEU 92 Cb 1.80 -0.19 -0.12 0.00 1.08 0.00 0.00 40.66 43.22 1or4 h LEU 92 CO 0.07 0.93 0.08 0.11 -1.08 0.00 0.00 178.44 178.55 1or4 h LYS 93 N 0.61 0.16 -0.66 1.13 1.57 -0.91 0.47 116.57 118.94 1or4 h LYS 93 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1or4 h LYS 93 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1or4 h LYS 93 CO 0.06 0.10 0.41 1.96 -0.57 0.00 0.00 179.45 181.41 1or4 h GLN 94 N 0.16 0.89 -0.00 3.15 1.08 -1.67 0.26 115.11 118.98 1or4 h GLN 94 Ca 0.43 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.39 1or4 h GLN 94 Cb 0.76 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1or4 h GLN 94 CO -0.61 0.62 -0.79 1.79 -0.95 0.00 0.00 178.83 178.89 1or4 h THR 95 N 0.90 1.57 -0.08 -0.54 1.35 -1.51 -2.91 112.91 111.70 1or4 h THR 95 Ca 0.24 -2.71 -0.13 0.00 -0.55 0.00 0.00 66.41 63.25 1or4 h THR 95 Cb -0.05 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1or4 h THR 95 CO -0.05 0.78 -0.55 0.25 -0.25 0.00 0.00 175.52 175.70 1or4 h LEU 96 N 0.00 0.25 -0.12 3.87 5.85 0.78 -1.10 115.31 124.84 1or4 h LEU 96 Ca -0.01 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1or4 h LEU 96 Cb 1.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1or4 h LEU 96 CO 0.10 0.75 -0.08 0.11 -0.34 0.00 0.00 178.44 178.98 1or4 h LYS 97 N 0.17 -0.08 -0.34 1.25 1.57 -0.32 0.53 116.57 119.35 1or4 h LYS 97 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1or4 h LYS 97 Cb 1.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1or4 h LYS 97 CO 0.08 -0.05 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.50 1or4 h ARG 98 N -0.09 0.81 -0.45 3.15 9.65 -1.46 -1.49 114.38 124.51 1or4 h ARG 98 Ca 0.07 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1or4 h ARG 98 Cb 0.19 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1or4 h ARG 98 CO -0.17 1.05 0.29 1.25 2.80 0.00 0.00 179.97 185.19 1or4 h HIS 99 N 0.59 0.58 -0.09 2.20 2.76 -1.05 0.37 115.15 120.52 1or4 h HIS 99 Ca 0.06 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1or4 h HIS 99 Cb 0.90 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 1or4 h HIS 99 CO 0.07 0.39 0.04 0.82 -1.30 0.00 0.00 177.93 177.95 1or4 h ILE 100 N 0.61 1.11 -0.14 6.26 2.04 -0.69 -1.50 117.51 125.19 1or4 h ILE 100 Ca 0.16 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1or4 h ILE 100 Cb -0.04 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1or4 h ILE 100 CO -0.03 0.09 0.12 1.56 0.00 0.00 0.00 178.15 179.89 1or4 h GLN 101 N 0.02 0.00 0.00 2.37 4.20 -1.24 -0.05 115.11 120.42 1or4 h GLN 101 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1or4 h GLN 101 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1or4 h GLN 101 CO -0.00 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.09 1or4 h GLU 102 N 0.00 0.00 0.00 1.46 5.08 0.15 -2.72 114.58 118.55 1or4 h GLU 102 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1or4 h GLU 102 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1or4 h GLU 102 CO -0.00 0.00 -0.24 0.52 -1.00 0.00 0.00 179.01 178.29 1or4 h MET 103 N 0.00 0.00 -0.58 2.33 2.86 -0.71 -3.22 114.93 115.60 1or4 h MET 103 Ca 0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 1or4 h MET 103 Cb 0.64 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.15 1or4 h MET 103 CO 0.00 0.24 0.19 1.19 1.06 0.00 0.00 176.91 179.60 1or4 n PHE 104 N -3.59 1.86 0.16 -0.22 3.01 -1.03 -4.52 117.46 113.12 1or4 n PHE 104 Ca -0.01 -1.49 0.07 0.00 1.01 0.00 0.00 57.45 57.04 1or4 n PHE 104 Cb 0.38 -0.63 0.07 0.00 -0.01 0.00 0.00 39.48 39.29 1or4 n PHE 104 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1or4 h ALA 105 N 1.44 0.78 0.00 4.37 0.00 -1.64 -3.31 119.26 120.89 1or4 h ALA 105 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1or4 h ALA 105 Cb 2.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1or4 h ALA 105 CO 0.62 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1or4 n GLY 106 N 1.19 0.62 2.85 0.00 0.00 -1.26 -4.69 105.19 103.90 1or4 n GLY 106 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1or4 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1or4 s VAL 107 N -2.07 0.28 -0.29 1.61 1.01 -1.26 -4.67 120.40 115.02 1or4 s VAL 107 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1or4 s VAL 107 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1or4 s VAL 107 CO 0.00 0.16 0.15 -0.63 0.00 0.00 0.00 175.10 174.78 1or4 s ILE 108 N 0.89 4.81 0.25 2.22 -1.09 -0.21 -4.97 121.20 123.11 1or4 s ILE 108 Ca -0.10 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1or4 s ILE 108 Cb -0.13 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1or4 s ILE 108 CO -0.01 0.18 0.14 -0.90 -1.23 0.00 0.00 174.94 173.12 1or4 n ASP 109 N 5.00 0.35 -0.22 3.58 5.68 -1.26 -1.67 116.55 128.01 1or4 n ASP 109 Ca -0.14 -2.48 0.02 0.00 -0.50 0.00 0.00 54.79 51.69 1or4 n ASP 109 Cb 0.51 0.91 0.14 0.00 -1.14 0.00 0.00 41.12 41.53 1or4 n ASP 109 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1or4 h ASP 110 N 1.24 0.13 -0.43 -1.12 5.19 -1.91 -1.98 116.42 117.54 1or4 h ASP 110 Ca -0.19 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.26 1or4 h ASP 110 Cb 0.82 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 1or4 h ASP 110 CO 0.29 0.06 0.04 -0.33 -3.12 0.00 0.00 179.24 176.17 1or4 h GLU 111 N 0.35 0.81 -0.03 3.56 3.07 -1.95 0.99 114.58 121.38 1or4 h GLU 111 Ca 0.35 -0.20 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1or4 h GLU 111 Cb 0.51 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 1or4 h GLU 111 CO -0.39 0.79 -0.19 0.35 -1.40 0.00 0.00 179.01 178.18 1or4 h PHE 112 N 0.76 -0.49 0.70 4.33 3.57 -1.76 0.99 116.94 125.05 1or4 h PHE 112 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1or4 h PHE 112 Cb 0.41 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1or4 h PHE 112 CO 0.02 -0.27 -0.48 0.82 -2.23 0.00 0.00 178.31 176.18 1or4 h ILE 113 N -0.29 0.05 -0.75 1.41 1.08 -0.63 -1.69 117.51 116.69 1or4 h ILE 113 Ca 0.07 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.69 1or4 h ILE 113 Cb 0.38 0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 34.07 1or4 h ILE 113 CO -0.20 0.00 0.24 -0.33 -0.69 0.00 0.00 178.15 177.18 1or4 h GLU 114 N -1.12 0.34 -1.00 2.37 5.08 -0.72 0.99 114.58 120.52 1or4 h GLU 114 Ca -0.09 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1or4 h GLU 114 Cb 0.92 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1or4 h GLU 114 CO 0.06 0.23 0.66 -0.22 -1.00 0.00 0.00 179.01 178.74 1or4 h LYS 115 N 0.35 1.24 -0.54 2.33 3.64 -0.73 -0.84 116.57 122.02 1or4 h LYS 115 Ca 0.42 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1or4 h LYS 115 Cb 0.68 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1or4 h LYS 115 CO -0.46 0.82 -0.08 0.00 -2.27 0.00 0.00 179.45 177.46 1or4 h ARG 116 N 1.28 1.01 -0.23 1.90 -0.00 0.18 -1.62 114.38 116.90 1or4 h ARG 116 Ca 0.39 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1or4 h ARG 116 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 29.87 1or4 h ARG 116 CO -0.12 1.05 0.09 -0.91 0.00 0.00 0.00 179.97 180.08 1or4 h ASN 117 N 0.89 0.29 -0.36 7.04 2.35 -0.37 -1.88 115.58 123.53 1or4 h ASN 117 Ca 0.14 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1or4 h ASN 117 Cb 0.65 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1or4 h ASN 117 CO 0.04 0.27 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.77 1or4 h ARG 118 N 0.32 0.78 0.00 0.81 2.43 -0.42 -2.40 114.38 115.91 1or4 h ARG 118 Ca 0.08 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1or4 h ARG 118 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1or4 h ARG 118 CO -0.01 0.99 -0.33 0.82 -1.51 0.00 0.00 179.97 179.93 1or4 h ILE 119 N 0.57 0.74 0.10 1.20 5.03 -0.76 -2.27 117.51 122.12 1or4 h ILE 119 Ca 0.07 -1.48 -0.01 0.00 -0.12 0.00 0.00 64.86 63.33 1or4 h ILE 119 Cb 0.79 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.53 1or4 h ILE 119 CO 0.06 0.33 -0.05 0.00 -0.68 0.00 0.00 178.15 177.81 1or4 h ALA 120 N 1.67 -0.14 -0.96 1.87 0.00 -1.18 -1.78 119.26 118.74 1or4 h ALA 120 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1or4 h ALA 120 Cb 0.93 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1or4 h ALA 120 CO 0.04 -0.53 0.63 0.66 0.00 0.00 0.00 179.25 180.05 1or4 h SER 121 N -0.23 1.07 -0.51 0.00 4.64 -1.22 0.28 113.55 117.59 1or4 h SER 121 Ca -0.01 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1or4 h SER 121 Cb 0.18 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1or4 h SER 121 CO 0.02 0.75 0.25 0.40 -0.87 0.00 0.00 176.83 177.39 1or4 h ILE 122 N 1.25 1.19 0.00 0.95 2.04 -1.28 0.04 117.51 121.70 1or4 h ILE 122 Ca 0.37 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 1or4 h ILE 122 Cb -0.07 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1or4 h ILE 122 CO -0.10 0.21 -0.54 0.45 0.00 0.00 0.00 178.15 178.17 1or4 h HIS 123 N 0.67 0.00 0.25 1.37 3.86 -0.37 -2.70 115.15 118.23 1or4 h HIS 123 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1or4 h HIS 123 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1or4 h HIS 123 CO -0.01 0.54 -0.12 1.25 0.86 0.00 0.00 177.93 180.45 1or4 h LEU 124 N 0.00 -0.29 -0.34 2.43 5.85 -0.39 -0.39 115.31 122.19 1or4 h LEU 124 Ca -0.01 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1or4 h LEU 124 Cb 1.13 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 1or4 h LEU 124 CO 0.07 -0.15 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.61 1or4 h ARG 125 N -0.40 -0.26 0.00 1.25 2.43 -0.82 -0.77 114.38 115.80 1or4 h ARG 125 Ca -0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1or4 h ARG 125 Cb 0.30 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1or4 h ARG 125 CO 0.06 -0.18 0.00 0.44 -1.51 0.00 0.00 179.97 178.78 1or4 n ILE 126 N -5.41 0.14 -1.74 1.20 -5.35 -1.03 -4.88 119.36 102.28 1or4 n ILE 126 Ca 0.00 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1or4 n ILE 126 Cb 0.33 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 1or4 n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1or4 n GLY 127 N 0.37 0.72 3.73 3.28 0.00 -0.30 -5.04 105.19 107.95 1or4 n GLY 127 Ca 0.14 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1or4 n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1or4 s LEU 128 N -0.17 4.44 0.25 0.99 2.96 -0.18 -5.01 118.68 121.96 1or4 s LEU 128 Ca 0.00 2.06 -0.19 0.00 -0.22 0.00 0.00 54.13 55.77 1or4 s LEU 128 Cb 0.00 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1or4 s LEU 128 CO 0.00 -0.31 0.75 -0.76 -1.32 0.00 0.00 176.35 174.71 1or4 s LEU 129 N 0.14 4.28 0.63 -0.68 1.43 -1.26 -4.75 118.68 118.46 1or4 s LEU 129 Ca 0.53 1.43 0.39 0.00 -1.03 0.00 0.00 54.13 55.45 1or4 s LEU 129 Cb -0.29 -3.73 2.10 0.00 0.03 0.00 0.00 46.19 44.29 1or4 s LEU 129 CO 0.33 -0.03 2.27 -0.65 0.23 0.00 0.00 176.35 178.50 1or4 h PRO 130 N 3.16 0.00 0.00 1.29 0.11 -1.99 -2.43 132.00 132.14 1or4 h PRO 130 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1or4 h PRO 130 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1or4 h PRO 130 CO 0.65 0.01 -0.93 1.57 -0.21 0.00 0.00 178.00 179.09 1or4 h LYS 131 N 0.00 0.00 -0.19 1.05 2.10 -2.00 -1.67 116.57 115.86 1or4 h LYS 131 Ca -0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1or4 h LYS 131 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1or4 h LYS 131 CO 0.00 0.93 -0.63 -1.49 -2.00 0.00 0.00 179.45 176.26 1or4 h TRP 132 N 0.00 0.88 -0.19 0.07 4.06 -1.84 -1.50 115.95 117.43 1or4 h TRP 132 Ca -0.01 -0.34 0.05 0.00 2.06 0.00 0.00 58.89 60.65 1or4 h TRP 132 Cb 1.65 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 29.60 1or4 h TRP 132 CO 0.00 1.13 -0.16 -0.92 -3.56 0.00 0.00 178.44 174.94 1or4 h TYR 133 N 0.50 -0.40 -0.48 0.49 5.03 -1.36 -1.80 116.97 118.96 1or4 h TYR 133 Ca -0.01 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1or4 h TYR 133 Cb 1.22 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.69 1or4 h TYR 133 CO 0.06 -0.23 0.24 0.52 -1.32 0.00 0.00 178.16 177.44 1or4 h MET 134 N -0.17 0.68 -0.03 1.82 2.86 -1.25 -2.45 114.93 116.39 1or4 h MET 134 Ca 0.12 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1or4 h MET 134 Cb 0.34 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1or4 h MET 134 CO -0.29 0.56 0.03 0.78 1.06 0.00 0.00 176.91 179.04 1or4 h GLY 135 N 0.63 0.00 2.00 8.32 0.00 -1.01 -2.76 103.07 110.25 1or4 h GLY 135 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1or4 h GLY 135 CO -0.02 0.00 -0.62 0.00 0.00 0.00 0.00 176.54 175.90 1or4 h ALA 136 N 1.98 0.92 0.00 3.60 0.00 -0.83 -2.48 119.26 122.45 1or4 h ALA 136 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1or4 h ALA 136 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1or4 h ALA 136 CO -0.00 0.77 0.00 0.74 0.00 0.00 0.00 179.25 180.76 1or4 h PHE 137 N 0.00 0.00 0.01 0.00 -1.00 -1.50 -2.81 116.94 111.64 1or4 h PHE 137 Ca -0.01 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.58 1or4 h PHE 137 Cb 1.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 1or4 h PHE 137 CO 0.00 0.00 -0.89 0.37 -1.61 0.00 0.00 178.31 176.18 1or4 h GLN 138 N 0.00 0.03 0.00 1.51 5.75 -1.57 -2.53 115.11 118.30 1or4 h GLN 138 Ca 0.00 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1or4 h GLN 138 Cb 0.21 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1or4 h GLN 138 CO 0.00 0.90 -0.40 1.49 -2.65 0.00 0.00 178.83 178.17 1or4 h GLU 139 N 0.02 0.00 -0.18 1.69 4.57 -1.64 -2.67 114.58 116.36 1or4 h GLU 139 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1or4 h GLU 139 Cb 1.56 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1or4 h GLU 139 CO 0.12 0.40 0.03 -0.07 -1.18 0.00 0.00 179.01 178.31 1or4 h LEU 140 N 0.00 0.29 -0.71 1.64 3.38 -1.58 -1.10 115.31 117.23 1or4 h LEU 140 Ca -0.00 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1or4 h LEU 140 Cb 0.82 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1or4 h LEU 140 CO 0.05 0.47 0.38 0.25 0.09 0.00 0.00 178.44 179.68 1or4 h LEU 141 N 0.09 0.52 -0.41 1.67 5.85 -1.28 0.10 115.31 121.85 1or4 h LEU 141 Ca 0.06 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 1or4 h LEU 141 Cb 0.30 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1or4 h LEU 141 CO 0.00 0.31 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.02 1or4 h LEU 142 N 0.66 1.01 -0.55 2.25 4.07 -1.42 -0.26 115.31 121.06 1or4 h LEU 142 Ca 0.34 -0.44 -0.16 0.00 0.08 0.00 0.00 57.88 57.70 1or4 h LEU 142 Cb 0.30 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1or4 h LEU 142 CO -0.23 1.24 -0.59 0.28 -1.08 0.00 0.00 178.44 178.05 1or4 h SER 143 N 0.78 0.48 -0.12 -0.43 0.02 -0.54 -2.77 113.55 110.98 1or4 h SER 143 Ca 0.08 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1or4 h SER 143 Cb 0.92 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1or4 h SER 143 CO 0.09 0.96 -0.04 0.24 -1.14 0.00 0.00 176.83 176.94 1or4 h MET 144 N 0.32 0.23 -0.92 3.45 2.86 -0.50 -1.91 114.93 118.46 1or4 h MET 144 Ca -0.00 -0.09 0.18 0.00 -2.06 0.00 0.00 59.70 57.72 1or4 h MET 144 Cb 1.12 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.67 1or4 h MET 144 CO 0.10 0.55 0.50 0.82 1.06 0.00 0.00 176.91 179.94 1or4 h ILE 145 N -0.10 0.68 -0.81 -1.22 2.04 -1.06 0.40 117.51 117.44 1or4 h ILE 145 Ca 0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1or4 h ILE 145 Cb 0.47 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1or4 h ILE 145 CO 0.01 0.12 0.52 0.44 0.00 0.00 0.00 178.15 179.24 1or4 h ASP 146 N 0.65 0.95 -0.13 1.72 5.19 -1.37 -1.01 116.42 122.41 1or4 h ASP 146 Ca 0.53 -0.04 -0.21 0.00 -0.62 0.00 0.00 57.03 56.69 1or4 h ASP 146 Cb 0.82 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.10 1or4 h ASP 146 CO -0.40 0.70 -0.76 0.40 -3.12 0.00 0.00 179.24 176.07 1or4 h ILE 147 N 1.11 1.29 0.05 0.35 2.04 0.54 -2.76 117.51 120.13 1or4 h ILE 147 Ca 0.29 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1or4 h ILE 147 Cb -0.09 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1or4 h ILE 147 CO -0.06 0.62 -0.14 1.88 0.00 0.00 0.00 178.15 180.45 1or4 h TYR 148 N 0.44 -0.37 -0.73 1.37 0.05 -0.85 -1.64 116.97 115.24 1or4 h TYR 148 Ca -0.06 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1or4 h TYR 148 Cb 1.39 0.16 -0.04 0.00 1.01 0.00 0.00 36.73 39.25 1or4 h TYR 148 CO 0.10 -0.21 0.47 1.49 -1.05 0.00 0.00 178.16 178.95 1or4 h GLU 149 N -0.26 0.91 -0.01 4.88 4.81 -1.23 1.56 114.58 125.24 1or4 h GLU 149 Ca 0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1or4 h GLU 149 Cb 0.30 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1or4 h GLU 149 CO -0.11 0.60 -0.19 0.00 -0.73 0.00 0.00 179.01 178.59 1or4 h ALA 150 N 1.29 1.65 0.00 2.92 0.00 -1.34 -3.29 119.26 120.49 1or4 h ALA 150 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1or4 h ALA 150 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1or4 h ALA 150 CO -0.09 0.26 -1.25 0.43 0.00 0.00 0.00 179.25 178.60 1or4 n SER 151 N -4.30 1.75 -4.02 0.00 7.64 0.43 -4.82 113.62 110.31 1or4 n SER 151 Ca -0.02 -0.23 -0.32 0.00 1.01 0.00 0.00 58.87 59.31 1or4 n SER 151 Cb 0.26 1.39 -0.14 0.00 -1.01 0.00 0.00 64.21 64.71 1or4 n SER 151 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1or4 s ILE 152 N -2.61 2.60 -0.95 0.44 1.01 0.50 -4.93 121.20 117.26 1or4 s ILE 152 Ca -0.02 -2.65 0.25 0.00 0.00 0.00 0.00 60.65 58.23 1or4 s ILE 152 Cb 0.08 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1or4 s ILE 152 CO 0.49 -0.69 1.38 0.35 0.00 0.00 0.00 174.94 176.48 1or4 n THR 153 N 3.90 0.04 -2.34 2.92 -2.24 -1.26 -4.56 114.28 110.73 1or4 n THR 153 Ca 0.04 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1or4 n THR 153 Cb 0.39 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1or4 n THR 153 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1or4 s ASN 154 N -3.15 6.51 0.30 3.42 3.84 -1.26 -4.90 114.94 119.70 1or4 s ASN 154 Ca 0.10 1.16 0.06 0.00 0.21 0.00 0.00 52.86 54.39 1or4 s ASN 154 Cb 0.17 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 39.08 1or4 s ASN 154 CO 0.71 -1.22 1.77 -0.61 -2.79 0.00 0.00 177.10 174.96 1or4 h GLN 155 N 10.00 0.73 -0.16 0.43 4.15 -2.00 -1.37 115.11 126.89 1or4 h GLN 155 Ca -0.28 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 58.90 1or4 h GLN 155 Cb 1.11 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1or4 h GLN 155 CO 1.04 0.48 -0.70 1.96 -1.93 0.00 0.00 178.83 179.69 1or4 h GLN 156 N 0.75 0.68 -0.24 1.69 4.20 -1.96 -2.46 115.11 117.77 1or4 h GLN 156 Ca 0.59 -0.51 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1or4 h GLN 156 Cb 0.93 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1or4 h GLN 156 CO -0.39 1.13 -0.28 0.93 -0.67 0.00 0.00 178.83 179.55 1or4 h GLU 157 N 0.48 0.48 -0.05 1.46 5.08 -1.82 -2.59 114.58 117.61 1or4 h GLU 157 Ca -0.03 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1or4 h GLU 157 Cb 1.29 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1or4 h GLU 157 CO 0.14 0.71 -0.17 1.25 -1.00 0.00 0.00 179.01 179.94 1or4 h LEU 158 N 0.42 -0.52 -1.33 1.33 6.46 -1.16 0.30 115.31 120.81 1or4 h LEU 158 Ca 0.06 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1or4 h LEU 158 Cb 0.71 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1or4 h LEU 158 CO 0.05 -0.23 0.08 -0.07 -0.62 0.00 0.00 178.44 177.65 1or4 h LEU 159 N -0.26 0.49 -0.73 2.25 -0.00 -1.30 -1.43 115.31 114.33 1or4 h LEU 159 Ca 0.07 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1or4 h LEU 159 Cb 0.35 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1or4 h LEU 159 CO -0.20 0.50 -0.20 0.50 -0.00 0.00 0.00 178.44 179.05 1or4 h LYS 160 N 0.52 0.76 -0.29 1.13 3.64 -0.98 0.15 116.57 121.51 1or4 h LYS 160 Ca 0.12 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1or4 h LYS 160 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1or4 h LYS 160 CO -0.00 0.90 -0.23 0.00 -2.27 0.00 0.00 179.45 177.85 1or4 h ALA 161 N 1.11 0.41 -0.32 5.00 0.00 -0.01 -2.78 119.26 122.67 1or4 h ALA 161 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1or4 h ALA 161 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1or4 h ALA 161 CO 0.05 0.38 0.10 0.82 0.00 0.00 0.00 179.25 180.60 1or4 h ILE 162 N 0.40 0.90 -0.53 0.00 2.04 -1.05 -2.17 117.51 117.10 1or4 h ILE 162 Ca 0.05 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1or4 h ILE 162 Cb 0.78 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1or4 h ILE 162 CO 0.06 0.04 0.24 0.11 0.00 0.00 0.00 178.15 178.60 1or4 h LYS 163 N 0.23 0.77 -0.49 2.37 1.57 -0.65 0.38 116.57 120.75 1or4 h LYS 163 Ca 0.14 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1or4 h LYS 163 Cb 0.12 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1or4 h LYS 163 CO -0.16 0.65 0.19 0.00 -0.57 0.00 0.00 179.45 179.57 1or4 h ALA 164 N 1.08 0.61 -0.04 3.86 0.00 -1.37 -1.55 119.26 121.85 1or4 h ALA 164 Ca 0.18 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1or4 h ALA 164 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1or4 h ALA 164 CO -0.02 -0.19 0.02 1.15 0.00 0.00 0.00 179.25 180.21 1or4 h THR 165 N 0.38 1.09 -0.21 0.00 2.02 -1.05 -0.56 112.91 114.57 1or4 h THR 165 Ca 0.23 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1or4 h THR 165 Cb 0.22 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1or4 h THR 165 CO -0.22 0.07 0.15 0.71 0.37 0.00 0.00 175.52 176.60 1or4 h THR 166 N -0.03 0.97 -0.17 3.16 1.35 -0.68 -0.45 112.91 117.05 1or4 h THR 166 Ca 0.01 -0.05 -0.05 0.00 -0.55 0.00 0.00 66.41 65.77 1or4 h THR 166 Cb 0.10 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1or4 h THR 166 CO -0.00 0.03 -0.10 0.11 -0.25 0.00 0.00 175.52 175.30 1or4 h LYS 167 N 0.14 0.37 -0.28 4.72 1.57 -0.35 -1.62 116.57 121.12 1or4 h LYS 167 Ca 0.09 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1or4 h LYS 167 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1or4 h LYS 167 CO -0.01 0.70 -0.44 0.97 -0.57 0.00 0.00 179.45 180.09 1or4 h ILE 168 N 0.04 1.29 -0.67 1.86 6.09 -0.45 -1.50 117.51 124.18 1or4 h ILE 168 Ca 0.04 -1.63 -0.03 0.00 -1.37 0.00 0.00 64.86 61.87 1or4 h ILE 168 Cb 0.60 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 39.41 1or4 h ILE 168 CO 0.03 0.52 0.30 -0.07 -3.07 0.00 0.00 178.15 175.86 1or4 h LEU 169 N 0.57 0.89 -0.98 2.19 3.38 -1.11 -0.61 115.31 119.63 1or4 h LEU 169 Ca 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1or4 h LEU 169 Cb 0.99 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1or4 h LEU 169 CO 0.09 0.79 0.56 -1.13 0.09 0.00 0.00 178.44 178.84 1or4 h ASN 170 N 0.93 1.11 -0.53 -0.43 -0.73 -1.01 -0.26 115.58 114.66 1or4 h ASN 170 Ca 0.23 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1or4 h ASN 170 Cb 0.15 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1or4 h ASN 170 CO -0.02 0.85 0.21 0.25 -0.37 0.00 0.00 177.43 178.35 1or4 h LEU 171 N 1.28 0.74 -0.47 0.34 5.85 -0.78 -0.47 115.31 121.79 1or4 h LEU 171 Ca 0.33 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1or4 h LEU 171 Cb -0.05 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 40.69 1or4 h LEU 171 CO -0.06 0.71 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.23 1or4 h GLU 172 N 0.72 -0.09 -0.61 1.25 4.39 -0.55 -0.44 114.58 119.25 1or4 h GLU 172 Ca 0.18 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1or4 h GLU 172 Cb 0.21 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1or4 h GLU 172 CO -0.01 -0.06 0.19 1.96 -1.16 0.00 0.00 179.01 179.93 1or4 h GLN 173 N -0.10 0.92 -0.90 2.33 4.20 -0.53 -2.31 115.11 118.72 1or4 h GLN 173 Ca 0.22 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1or4 h GLN 173 Cb 0.44 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1or4 h GLN 173 CO -0.53 0.79 0.52 1.96 -0.67 0.00 0.00 178.83 180.89 1or4 h GLN 174 N 0.89 1.25 -0.63 1.46 4.20 -0.20 -2.69 115.11 119.38 1or4 h GLN 174 Ca 0.20 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1or4 h GLN 174 Cb 0.25 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1or4 h GLN 174 CO -0.01 0.89 0.27 -0.07 -0.67 0.00 0.00 178.83 179.25 1or4 h LEU 175 N 1.26 0.85 -0.31 1.46 4.07 -0.58 -2.94 115.31 119.13 1or4 h LEU 175 Ca 0.32 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1or4 h LEU 175 Cb -0.01 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 1or4 h LEU 175 CO -0.06 0.77 -0.01 -0.37 -1.08 0.00 0.00 178.44 177.69 1or4 h VAL 176 N 0.88 0.02 -3.15 1.22 -1.51 -1.31 -3.43 116.25 108.97 1or4 h VAL 176 Ca 0.21 -0.92 -0.59 0.00 -1.23 0.00 0.00 66.70 64.17 1or4 h VAL 176 Cb 0.17 1.91 -0.04 0.00 -2.13 0.00 0.00 31.29 31.19 1or4 h VAL 176 CO -0.02 0.01 -0.19 -0.76 -1.23 0.00 0.00 177.57 175.38 1or4 s LEU 177 N -6.21 4.37 0.00 4.19 1.02 -1.03 -4.87 118.68 116.15 1or4 s LEU 177 Ca 0.06 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.11 1or4 s LEU 177 Cb 0.06 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1or4 s LEU 177 CO 0.65 0.19 0.17 1.21 0.02 0.00 0.00 176.35 178.58