#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oml s GLN 37 N 0.00 3.34 0.27 -3.83 1.03 -1.26 -5.05 119.66 114.16 2oml s GLN 37 Ca 0.00 -0.62 -0.30 0.00 0.04 0.00 0.00 55.36 54.47 2oml s GLN 37 Cb 0.00 -3.88 -0.13 0.00 0.03 0.00 0.00 33.01 29.04 2oml s GLN 37 CO 0.00 -0.64 1.48 -2.30 -2.54 0.00 0.00 175.29 171.29 2oml n PRO 38 N 5.39 2.33 -2.29 9.60 -0.02 -1.26 -4.91 135.00 143.84 2oml n PRO 38 Ca -0.09 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 2oml n PRO 38 Cb 0.48 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2oml n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oml s THR 39 N -0.11 3.26 -0.06 3.45 -4.23 -1.26 -4.98 115.64 111.70 2oml s THR 39 Ca 0.65 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 62.31 2oml s THR 39 Cb -0.58 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 69.56 2oml s THR 39 CO 0.50 0.21 -0.13 -0.60 -0.54 0.00 0.00 174.62 174.06 2oml s ARG 40 N -0.73 1.78 -0.05 3.99 6.06 -1.26 -5.05 118.95 123.69 2oml s ARG 40 Ca 0.52 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 53.28 2oml s ARG 40 Cb -0.35 -1.47 0.02 0.00 0.06 0.00 0.00 34.95 33.22 2oml s ARG 40 CO 0.41 0.07 -0.02 0.08 -2.50 0.00 0.00 175.30 173.34 2oml s VAL 41 N 0.55 0.42 -0.03 7.11 1.01 -1.26 -2.89 120.40 125.31 2oml s VAL 41 Ca -0.13 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2oml s VAL 41 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2oml s VAL 41 CO 0.04 0.22 -0.12 -0.63 0.00 0.00 0.00 175.10 174.62 2oml s ILE 42 N 1.34 1.00 -0.14 2.22 1.01 0.10 -0.65 121.20 126.07 2oml s ILE 42 Ca -0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2oml s ILE 42 Cb -0.13 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2oml s ILE 42 CO -0.02 0.30 0.11 -0.76 0.00 0.00 0.00 174.94 174.57 2oml s LEU 43 N 0.16 4.16 -0.01 2.97 1.43 -0.11 -0.45 118.68 126.82 2oml s LEU 43 Ca -0.04 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2oml s LEU 43 Cb -0.10 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2oml s LEU 43 CO 0.01 0.32 -0.11 0.12 0.23 0.00 0.00 176.35 176.92 2oml s PHE 44 N -0.48 1.00 -0.64 0.29 5.36 -0.23 -0.97 117.98 122.31 2oml s PHE 44 Ca 0.11 -0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 55.72 2oml s PHE 44 Cb -0.12 -0.64 0.14 0.00 -0.34 0.00 0.00 43.02 42.06 2oml s PHE 44 CO 0.02 -0.02 0.66 1.21 -1.46 0.00 0.00 175.22 175.63 2oml s ASN 45 N -0.31 6.33 -0.02 6.13 3.84 -0.67 -0.96 114.94 129.29 2oml s ASN 45 Ca 0.04 -1.88 -0.30 0.00 0.21 0.00 0.00 52.86 50.93 2oml s ASN 45 Cb -0.04 -2.25 -0.04 0.00 -0.55 0.00 0.00 41.25 38.36 2oml s ASN 45 CO -0.00 -0.89 1.22 -0.75 -2.79 0.00 0.00 177.10 173.89 2oml s LYS 46 N 1.71 4.36 0.79 0.43 2.20 0.65 -0.27 119.74 129.62 2oml s LYS 46 Ca 0.11 1.73 -0.10 0.00 -0.36 0.00 0.00 55.97 57.34 2oml s LYS 46 Cb -0.23 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.66 2oml s LYS 46 CO 0.01 -0.41 1.10 -2.14 -0.36 0.00 0.00 175.35 173.54 2oml s PRO 47 N 1.94 2.07 0.43 4.03 0.02 -1.26 -1.29 135.00 140.94 2oml s PRO 47 Ca 0.58 1.19 -0.26 0.00 0.02 0.00 0.00 61.00 62.53 2oml s PRO 47 Cb -0.27 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 2oml s PRO 47 CO 0.24 -1.78 1.37 0.98 -0.33 0.00 0.00 177.00 177.48 2oml n TYR 48 N -3.62 2.49 -2.14 6.54 9.36 -1.26 -3.27 117.16 125.25 2oml n TYR 48 Ca 0.09 0.47 -0.11 0.00 3.32 0.00 0.00 57.90 61.67 2oml n TYR 48 Cb 0.53 -2.43 -0.01 0.00 -0.63 0.00 0.00 39.34 36.80 2oml n TYR 48 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2oml n ASP 49 N 0.08 -3.67 -4.21 2.98 4.64 0.22 -5.02 116.55 111.58 2oml n ASP 49 Ca 0.05 0.01 -0.31 0.00 -1.38 0.00 0.00 54.79 53.17 2oml n ASP 49 Cb 0.40 -2.84 -0.17 0.00 -1.04 0.00 0.00 41.12 37.47 2oml n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2oml s VAL 50 N -2.54 1.93 0.39 5.18 1.01 -1.20 -4.46 120.40 120.70 2oml s VAL 50 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 2oml s VAL 50 Cb 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2oml s VAL 50 CO 0.00 0.53 1.07 -0.76 0.00 0.00 0.00 175.10 175.95 2oml s LEU 51 N 0.16 4.19 -0.83 3.92 1.43 -0.17 -4.31 118.68 123.07 2oml s LEU 51 Ca -0.12 2.11 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 2oml s LEU 51 Cb -0.16 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 2oml s LEU 51 CO 0.06 -0.49 3.04 -0.81 0.23 0.00 0.00 176.35 178.38 2oml n PRO 52 N 0.08 3.08 -3.58 1.29 -0.04 -1.26 -3.95 135.00 130.62 2oml n PRO 52 Ca 0.04 -2.07 -0.10 0.00 -0.04 0.00 0.00 63.50 61.33 2oml n PRO 52 Cb 0.49 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 2oml n PRO 52 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2oml s GLN 53 N 0.46 1.43 -0.08 0.54 -2.07 -1.26 -4.49 119.66 114.19 2oml s GLN 53 Ca 0.64 -0.66 0.19 0.00 -1.82 0.00 0.00 55.36 53.70 2oml s GLN 53 Cb 0.26 0.59 -0.28 0.00 -1.09 0.00 0.00 33.01 32.49 2oml s GLN 53 CO -0.08 -0.63 0.30 1.19 -1.32 0.00 0.00 175.29 174.76 2oml n PHE 54 N -0.39 0.00 -2.10 9.60 3.01 -1.26 -1.05 117.46 125.26 2oml n PHE 54 Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 2oml n PHE 54 Cb 0.63 -0.60 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 2oml n PHE 54 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2oml s THR 55 N -3.05 2.84 0.33 4.37 2.01 -1.26 -4.66 115.64 116.22 2oml s THR 55 Ca -0.08 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 2oml s THR 55 Cb 0.10 -3.47 -0.13 0.00 0.01 0.00 0.00 72.50 69.01 2oml s THR 55 CO 0.79 0.13 1.20 0.47 -0.69 0.00 0.00 174.62 176.52 2oml n ASP 56 N 1.98 2.29 -3.62 3.53 8.00 -1.26 -4.97 116.55 122.50 2oml n ASP 56 Ca 0.05 1.20 -0.22 0.00 0.71 0.00 0.00 54.79 56.53 2oml n ASP 56 Cb 0.41 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.12 39.93 2oml n ASP 56 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2oml s GLU 57 N -1.79 0.03 -0.07 -1.24 2.12 -1.26 -5.11 118.70 111.39 2oml s GLU 57 Ca 0.57 0.20 -0.37 0.00 0.36 0.00 0.00 54.97 55.73 2oml s GLU 57 Cb -0.61 -1.09 -0.15 0.00 0.26 0.00 0.00 34.13 32.54 2oml s GLU 57 CO 0.61 -0.51 1.63 0.00 -0.54 0.00 0.00 175.26 176.46 2oml n ALA 58 N 5.30 0.02 -0.95 6.30 0.00 -1.26 -1.28 120.51 128.64 2oml n ALA 58 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2oml n ALA 58 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2oml n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oml n GLY 59 N 3.63 0.72 3.32 0.00 0.00 -1.26 -5.02 105.19 106.57 2oml n GLY 59 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 2oml n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oml s ARG 60 N -0.05 1.23 0.03 1.61 0.52 -0.40 -5.13 118.95 116.75 2oml s ARG 60 Ca 0.00 -1.37 -0.18 0.00 -0.52 0.00 0.00 55.73 53.66 2oml s ARG 60 Cb 0.00 -1.27 -0.06 0.00 0.52 0.00 0.00 34.95 34.14 2oml s ARG 60 CO 0.00 0.26 0.52 0.15 0.02 0.00 0.00 175.30 176.24 2oml s LYS 61 N -2.74 4.14 0.44 3.54 1.02 -1.26 -4.64 119.74 120.24 2oml s LYS 61 Ca 0.14 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.78 2oml s LYS 61 Cb -0.06 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2oml s LYS 61 CO 0.06 0.59 0.09 0.95 -0.92 0.00 0.00 175.35 176.12 2oml s THR 62 N -0.87 0.80 -0.12 2.17 -4.23 -1.26 -1.00 115.64 111.13 2oml s THR 62 Ca 0.27 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.07 2oml s THR 62 Cb -0.18 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.66 2oml s THR 62 CO 0.16 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.03 2oml h LEU 63 N 1.65 0.00 -2.08 4.79 3.38 -1.22 -2.72 115.31 119.11 2oml h LEU 63 Ca -0.38 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2oml h LEU 63 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2oml h LEU 63 CO 0.63 0.00 0.14 0.11 0.09 0.00 0.00 178.44 179.41 2oml h LYS 64 N 0.00 0.00 0.00 1.13 1.57 -1.81 0.21 116.57 117.67 2oml h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2oml h LYS 64 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2oml h LYS 64 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 2oml n GLU 65 N -4.31 0.05 0.00 3.15 1.02 -1.03 -4.19 120.64 115.34 2oml n GLU 65 Ca 0.01 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2oml n GLU 65 Cb 0.27 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2oml n GLU 65 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2oml n PHE 66 N -1.68 0.00 -3.68 -0.32 3.72 -0.26 -5.01 117.46 110.23 2oml n PHE 66 Ca 0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 2oml n PHE 66 Cb 0.29 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.68 2oml n PHE 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2oml s ILE 67 N -1.92 0.59 -1.38 4.37 1.01 -0.10 -4.92 121.20 118.86 2oml s ILE 67 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.40 2oml s ILE 67 Cb 0.00 -1.41 0.10 0.00 0.01 0.00 0.00 42.46 41.15 2oml s ILE 67 CO 0.00 -0.63 2.07 -0.81 0.00 0.00 0.00 174.94 175.57 2oml n PRO 68 N 4.97 3.23 -3.88 2.79 -0.04 -1.26 -4.59 135.00 136.22 2oml n PRO 68 Ca -0.04 -3.04 -0.14 0.00 -0.04 0.00 0.00 63.50 60.25 2oml n PRO 68 Cb 0.43 -3.11 -0.15 0.00 -0.04 0.00 0.00 33.50 30.63 2oml n PRO 68 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oml s VAL 69 N 1.85 0.05 0.14 0.52 1.01 -1.26 -5.16 120.40 117.53 2oml s VAL 69 Ca 0.44 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2oml s VAL 69 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 2oml s VAL 69 CO -0.05 0.05 0.02 -1.10 0.00 0.00 0.00 175.10 174.03 2oml s GLN 70 N 0.37 2.55 0.00 2.72 -0.21 -1.26 -4.72 119.66 119.10 2oml s GLN 70 Ca -0.03 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.40 2oml s GLN 70 Cb -0.05 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.47 2oml s GLN 70 CO -0.01 0.50 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 2oml n GLY 71 N 0.15 0.72 3.64 3.09 0.00 -1.26 -5.05 105.19 106.48 2oml n GLY 71 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2oml n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oml s VAL 72 N -2.81 3.66 0.22 1.61 -7.23 -1.26 -4.20 120.40 110.39 2oml s VAL 72 Ca 0.00 -1.26 -0.09 0.00 -1.81 0.00 0.00 61.98 58.83 2oml s VAL 72 Cb 0.00 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 2oml s VAL 72 CO 0.00 0.03 0.34 -0.72 -0.31 0.00 0.00 175.10 174.44 2oml s TYR 73 N -1.43 0.61 0.14 2.82 -0.85 -0.61 -4.82 117.35 113.22 2oml s TYR 73 Ca 0.25 -0.93 -0.31 0.00 -0.52 0.00 0.00 57.07 55.56 2oml s TYR 73 Cb -0.11 -0.08 -0.08 0.00 0.38 0.00 0.00 41.96 42.07 2oml s TYR 73 CO 0.17 -0.84 1.36 0.00 -1.52 0.00 0.00 175.55 174.71 2oml s ALA 74 N -4.05 3.56 -1.13 9.51 0.00 -1.26 -0.98 121.76 127.41 2oml s ALA 74 Ca 0.27 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 2oml s ALA 74 Cb 0.02 -3.52 0.27 0.00 0.00 0.00 0.00 23.12 19.89 2oml s ALA 74 CO 0.09 -0.59 1.26 0.00 0.00 0.00 0.00 175.76 176.52 2oml n ALA 75 N 3.47 4.43 0.00 0.00 0.00 0.36 -4.58 120.51 124.19 2oml n ALA 75 Ca 0.09 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.90 2oml n ALA 75 Cb 0.42 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2oml n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oml n GLY 76 N 2.58 0.37 3.74 0.00 0.00 -1.26 -4.57 105.19 106.05 2oml n GLY 76 Ca 0.27 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2oml n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oml s ARG 77 N -0.12 2.64 -0.10 1.61 0.52 -1.26 -4.68 118.95 117.56 2oml s ARG 77 Ca 0.00 1.85 0.02 0.00 -0.52 0.00 0.00 55.73 57.08 2oml s ARG 77 Cb 0.00 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.60 2oml s ARG 77 CO 0.00 -1.47 -0.16 -1.17 0.02 0.00 0.00 175.30 172.52 2oml s LEU 78 N -4.46 1.79 0.75 2.53 2.96 -1.26 -5.11 118.68 115.88 2oml s LEU 78 Ca 0.77 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 54.10 2oml s LEU 78 Cb -0.31 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.30 2oml s LEU 78 CO 0.38 0.05 1.06 0.47 -1.32 0.00 0.00 176.35 176.99 2oml n ASP 79 N 4.01 0.73 -0.30 3.68 10.43 -1.26 -4.16 116.55 129.68 2oml n ASP 79 Ca -0.20 0.64 0.07 0.00 2.57 0.00 0.00 54.79 57.87 2oml n ASP 79 Cb 0.52 -1.45 0.22 0.00 1.84 0.00 0.00 41.12 42.25 2oml n ASP 79 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2oml h ARG 80 N -0.44 0.62 -0.31 -1.24 2.43 -1.97 -0.69 114.38 112.78 2oml h ARG 80 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2oml h ARG 80 Cb 1.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2oml h ARG 80 CO 0.47 0.41 0.00 -0.40 -1.51 0.00 0.00 179.97 178.94 2oml n ASP 81 N -4.86 2.00 -4.99 -3.80 5.75 -1.26 -0.61 116.55 108.79 2oml n ASP 81 Ca 0.17 -1.89 -0.19 0.00 -0.01 0.00 0.00 54.79 52.86 2oml n ASP 81 Cb 0.42 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 2oml n ASP 81 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2oml s SER 82 N -1.23 5.67 0.13 -1.12 0.01 -0.27 -4.62 113.70 112.28 2oml s SER 82 Ca 0.29 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.36 2oml s SER 82 Cb 0.15 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 2oml s SER 82 CO 0.21 -0.76 -0.09 -1.61 0.41 0.00 0.00 173.24 171.41 2oml s GLU 83 N -4.41 0.98 0.00 12.44 2.02 -0.21 -4.26 118.70 125.25 2oml s GLU 83 Ca 0.53 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 54.12 2oml s GLU 83 Cb -0.10 -0.49 0.00 0.00 0.10 0.00 0.00 34.13 33.64 2oml s GLU 83 CO 0.34 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2oml n GLY 84 N -0.11 0.30 3.69 -1.39 0.00 -0.41 -0.64 105.19 106.63 2oml n GLY 84 Ca -0.11 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2oml n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oml s LEU 85 N 0.00 4.31 -0.09 0.99 2.96 0.20 -0.26 118.68 126.80 2oml s LEU 85 Ca 0.00 2.10 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 2oml s LEU 85 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 2oml s LEU 85 CO 0.00 -0.73 -0.12 -0.22 -1.32 0.00 0.00 176.35 173.96 2oml s LEU 86 N 2.54 1.54 -0.21 -0.68 2.96 -0.13 -4.92 118.68 119.77 2oml s LEU 86 Ca 0.64 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 2oml s LEU 86 Cb -0.31 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 2oml s LEU 86 CO 0.26 -0.01 0.26 -0.69 -1.32 0.00 0.00 176.35 174.85 2oml s VAL 87 N 1.00 5.30 -0.09 1.68 1.01 -1.26 -1.07 120.40 126.97 2oml s VAL 87 Ca -0.08 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2oml s VAL 87 Cb -0.15 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2oml s VAL 87 CO -0.00 0.33 -0.18 -0.76 0.00 0.00 0.00 175.10 174.48 2oml s LEU 88 N 1.00 2.48 0.16 3.92 1.43 0.40 -0.49 118.68 127.58 2oml s LEU 88 Ca 0.13 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2oml s LEU 88 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2oml s LEU 88 CO 0.05 0.23 0.44 0.28 0.23 0.00 0.00 176.35 177.57 2oml s THR 89 N -0.04 0.05 -2.85 5.49 -1.32 -0.15 -0.72 115.64 116.10 2oml s THR 89 Ca -0.05 -0.80 0.23 0.00 -1.21 0.00 0.00 61.69 59.86 2oml s THR 89 Cb -0.14 -1.46 0.21 0.00 -1.51 0.00 0.00 72.50 69.60 2oml s THR 89 CO 0.04 -0.23 1.26 -0.46 -2.21 0.00 0.00 174.62 173.02 2oml n ASN 90 N -0.27 3.00 -4.61 8.08 6.94 -1.14 -1.58 115.26 125.68 2oml n ASN 90 Ca -0.12 -1.97 -0.37 0.00 -0.02 0.00 0.00 54.58 52.10 2oml n ASN 90 Cb 0.63 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.92 2oml n ASN 90 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2oml s ASN 91 N -1.88 5.98 0.25 0.53 2.47 -1.26 -4.98 114.94 116.04 2oml s ASN 91 Ca 0.29 0.04 -0.04 0.00 0.42 0.00 0.00 52.86 53.56 2oml s ASN 91 Cb 0.20 -2.09 0.28 0.00 -1.45 0.00 0.00 41.25 38.19 2oml s ASN 91 CO 0.29 0.02 1.81 1.23 -3.72 0.00 0.00 177.10 176.73 2oml h GLY 92 N 7.88 1.10 0.97 1.21 0.00 -1.99 -1.47 103.07 110.77 2oml h GLY 92 Ca -0.37 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 2oml h GLY 92 CO 0.61 0.57 0.22 0.00 0.00 0.00 0.00 176.54 177.94 2oml h ALA 93 N 1.26 0.55 -0.34 3.60 0.00 -1.99 -0.78 119.26 121.56 2oml h ALA 93 Ca 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2oml h ALA 93 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2oml h ALA 93 CO -0.01 0.09 -0.05 1.25 0.00 0.00 0.00 179.25 180.53 2oml h LEU 94 N 0.56 0.63 -0.38 0.00 5.85 -1.94 -0.53 115.31 119.50 2oml h LEU 94 Ca 0.15 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.60 2oml h LEU 94 Cb 0.08 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 2oml h LEU 94 CO -0.02 0.82 -0.10 1.56 -0.34 0.00 0.00 178.44 180.37 2oml h GLN 95 N 0.42 -0.00 -0.35 1.25 1.08 -1.07 -1.81 115.11 114.64 2oml h GLN 95 Ca 0.09 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2oml h GLN 95 Cb 0.53 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2oml h GLN 95 CO 0.03 -0.00 0.13 0.00 -0.95 0.00 0.00 178.83 178.03 2oml h ALA 96 N 1.38 0.45 -0.85 3.87 0.00 -0.94 0.04 119.26 123.21 2oml h ALA 96 Ca 0.18 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.09 2oml h ALA 96 Cb 0.28 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 2oml h ALA 96 CO -0.39 0.07 0.44 -0.09 0.00 0.00 0.00 179.25 179.28 2oml h ARG 97 N 0.41 0.61 0.00 0.00 2.43 -0.74 -0.23 114.38 116.86 2oml h ARG 97 Ca 0.11 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.05 2oml h ARG 97 Cb 0.22 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2oml h ARG 97 CO -0.01 0.40 -1.34 -0.07 -1.51 0.00 0.00 179.97 177.44 2oml h LEU 98 N 0.63 0.00 0.00 3.80 3.38 -1.04 -3.42 115.31 118.66 2oml h LEU 98 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2oml h LEU 98 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2oml h LEU 98 CO -0.36 0.74 -0.99 0.35 0.09 0.00 0.00 178.44 178.27 2oml n THR 99 N -3.03 0.00 -1.67 0.22 -2.24 -0.03 -4.79 114.28 102.74 2oml n THR 99 Ca -0.09 -0.06 -0.47 0.00 -2.27 0.00 0.00 64.05 61.16 2oml n THR 99 Cb 0.90 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 2oml n THR 99 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2oml n GLN 100 N -1.51 2.19 -1.66 -0.78 -0.06 -0.12 -4.81 117.38 110.64 2oml n GLN 100 Ca -0.00 0.79 -0.46 0.00 -2.00 0.00 0.00 57.00 55.34 2oml n GLN 100 Cb 0.03 -2.59 -0.03 0.00 -4.06 0.00 0.00 30.24 23.59 2oml n GLN 100 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2oml n PRO 101 N 4.56 1.94 -0.51 3.69 -0.02 -1.26 -1.26 135.00 142.14 2oml n PRO 101 Ca 0.19 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2oml n PRO 101 Cb 0.29 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2oml n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oml n GLY 102 N 2.33 0.82 0.16 -1.23 0.00 -1.26 -4.94 105.19 101.07 2oml n GLY 102 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2oml n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oml h LYS 103 N 3.86 0.00 -5.22 1.61 1.79 -1.53 -3.47 116.57 113.62 2oml h LYS 103 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 2oml h LYS 103 Cb 0.00 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.76 2oml h LYS 103 CO 0.00 0.00 -0.64 0.54 -1.08 0.00 0.00 179.45 178.27 2oml n ARG 104 N -2.47 -6.71 -1.80 3.15 5.12 -1.26 -4.93 116.66 107.76 2oml n ARG 104 Ca 0.03 0.84 -0.42 0.00 -1.93 0.00 0.00 57.85 56.37 2oml n ARG 104 Cb 0.33 -5.76 -0.03 0.00 -1.16 0.00 0.00 32.46 25.84 2oml n ARG 104 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2oml s THR 105 N -3.26 2.77 0.24 0.55 2.01 -1.26 -4.86 115.64 111.83 2oml s THR 105 Ca 0.47 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2oml s THR 105 Cb -0.21 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2oml s THR 105 CO 0.59 -0.00 1.02 -0.83 -0.69 0.00 0.00 174.62 174.71 2oml s GLY 106 N 2.68 3.05 -0.02 4.40 0.00 -1.26 -4.30 107.32 111.88 2oml s GLY 106 Ca 0.78 0.75 0.02 0.00 0.00 0.00 0.00 44.72 46.27 2oml s GLY 106 CO 0.35 1.40 -0.08 0.54 0.00 0.00 0.00 173.10 175.31 2oml s LYS 107 N -1.07 0.80 -0.18 2.90 1.02 0.25 -0.78 119.74 122.68 2oml s LYS 107 Ca 0.44 -0.26 -0.02 0.00 0.02 0.00 0.00 55.97 56.14 2oml s LYS 107 Cb -0.29 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.24 2oml s LYS 107 CO 0.36 0.11 -0.09 0.42 -0.92 0.00 0.00 175.35 175.23 2oml s ILE 108 N 0.14 3.21 0.04 2.17 1.01 -0.47 -0.80 121.20 126.51 2oml s ILE 108 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2oml s ILE 108 Cb -0.07 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2oml s ILE 108 CO 0.00 0.48 -0.17 -0.31 0.00 0.00 0.00 174.94 174.94 2oml s TYR 109 N 0.93 2.59 -0.21 3.97 1.51 0.80 -0.01 117.35 126.94 2oml s TYR 109 Ca -0.01 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 55.74 2oml s TYR 109 Cb -0.15 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2oml s TYR 109 CO -0.00 0.28 0.05 0.71 -1.11 0.00 0.00 175.55 175.48 2oml s TYR 110 N -0.96 3.14 -0.10 2.71 2.02 0.24 -0.81 117.35 123.58 2oml s TYR 110 Ca 0.15 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2oml s TYR 110 Cb -0.11 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2oml s TYR 110 CO 0.06 -0.11 -0.14 0.08 -1.57 0.00 0.00 175.55 173.86 2oml s VAL 111 N 0.95 1.41 -0.22 0.71 1.01 0.16 -1.09 120.40 123.33 2oml s VAL 111 Ca 0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2oml s VAL 111 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2oml s VAL 111 CO 0.03 0.42 0.36 -1.58 0.00 0.00 0.00 175.10 174.32 2oml s GLN 112 N 0.99 4.14 0.20 2.72 0.74 -0.37 -0.48 119.66 127.60 2oml s GLN 112 Ca -0.07 0.11 0.10 0.00 0.05 0.00 0.00 55.36 55.54 2oml s GLN 112 Cb -0.15 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 2oml s GLN 112 CO -0.01 -0.05 -0.20 0.14 -0.55 0.00 0.00 175.29 174.63 2oml s VAL 113 N 1.35 2.09 0.25 1.34 -7.23 0.25 0.24 120.40 118.68 2oml s VAL 113 Ca 0.17 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2oml s VAL 113 Cb -0.15 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 2oml s VAL 113 CO 0.08 -0.32 1.19 -1.61 -0.31 0.00 0.00 175.10 174.13 2oml s GLU 114 N -3.04 4.51 1.26 4.82 2.02 0.04 -1.41 118.70 126.90 2oml s GLU 114 Ca 0.21 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.13 2oml s GLU 114 Cb -0.05 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2oml s GLU 114 CO 0.09 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.77 2oml n GLY 115 N 1.55 -1.86 2.90 -1.39 0.00 -0.12 -4.40 105.19 101.87 2oml n GLY 115 Ca 0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 2oml n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oml s ILE 116 N 0.00 1.67 0.29 -0.61 1.01 -1.26 -2.93 121.20 119.37 2oml s ILE 116 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 60.65 58.51 2oml s ILE 116 Cb 0.00 -2.20 -0.14 0.00 0.01 0.00 0.00 42.46 40.13 2oml s ILE 116 CO 0.00 -0.57 1.06 -2.65 0.00 0.00 0.00 174.94 172.78 2oml n PRO 117 N 4.52 1.46 -1.91 2.79 -0.02 -1.26 -4.97 135.00 135.62 2oml n PRO 117 Ca -0.00 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 2oml n PRO 117 Cb 0.42 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 2oml n PRO 117 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oml s THR 118 N -1.02 3.66 0.24 3.45 -4.23 -1.26 -4.89 115.64 111.59 2oml s THR 118 Ca 0.59 0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 61.55 2oml s THR 118 Cb -0.69 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 69.86 2oml s THR 118 CO 0.60 -0.69 1.91 1.56 -0.54 0.00 0.00 174.62 177.46 2oml h GLN 119 N -0.59 1.23 -0.57 3.99 4.20 -1.99 -1.52 115.11 119.86 2oml h GLN 119 Ca -0.45 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 2oml h GLN 119 Cb 1.24 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 2oml h GLN 119 CO 0.63 0.81 0.33 0.22 -0.67 0.00 0.00 178.83 180.16 2oml h ASP 120 N 1.26 0.70 -0.67 1.46 3.58 -1.99 -0.91 116.42 119.85 2oml h ASP 120 Ca 0.36 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2oml h ASP 120 Cb -0.10 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 2oml h ASP 120 CO -0.09 0.57 0.40 0.00 -2.88 0.00 0.00 179.24 177.24 2oml h ALA 121 N 1.16 0.86 -0.52 -0.78 0.00 -1.80 -1.31 119.26 116.87 2oml h ALA 121 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2oml h ALA 121 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2oml h ALA 121 CO -0.04 0.35 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 2oml h LEU 122 N 0.92 0.92 -1.06 0.00 3.38 -1.04 -1.83 115.31 116.60 2oml h LEU 122 Ca 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2oml h LEU 122 Cb -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2oml h LEU 122 CO -0.04 1.02 0.38 -0.08 0.09 0.00 0.00 178.44 179.81 2oml h GLU 123 N 0.85 1.04 -0.52 1.13 4.81 -0.90 -1.01 114.58 119.97 2oml h GLU 123 Ca 0.14 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2oml h GLU 123 Cb 0.60 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2oml h GLU 123 CO 0.04 0.79 0.10 0.00 -0.73 0.00 0.00 179.01 179.20 2oml h ALA 124 N 1.37 0.69 -0.81 2.92 0.00 -0.92 -0.39 119.26 122.12 2oml h ALA 124 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2oml h ALA 124 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2oml h ALA 124 CO -0.04 0.42 0.48 -0.07 0.00 0.00 0.00 179.25 180.03 2oml h LEU 125 N 0.74 0.99 -0.57 0.00 3.38 -0.92 0.47 115.31 119.40 2oml h LEU 125 Ca 0.16 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2oml h LEU 125 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2oml h LEU 125 CO 0.01 0.77 -0.55 0.03 0.09 0.00 0.00 178.44 178.79 2oml h ARG 126 N 1.13 0.49 0.07 1.13 3.08 -0.82 -3.36 114.38 116.09 2oml h ARG 126 Ca 0.29 -0.30 -0.34 0.00 0.07 0.00 0.00 59.98 59.69 2oml h ARG 126 Cb -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2oml h ARG 126 CO -0.05 0.91 -1.95 0.09 -1.07 0.00 0.00 179.97 177.89 2oml n ASN 127 N -3.95 1.57 0.00 7.04 4.13 -0.19 -1.31 115.26 122.55 2oml n ASN 127 Ca -0.03 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2oml n ASN 127 Cb 0.60 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 2oml n ASN 127 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2oml n GLY 128 N 1.85 4.75 3.39 7.41 0.00 0.13 -4.24 105.19 118.48 2oml n GLY 128 Ca -0.28 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 2oml n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oml s VAL 129 N -0.68 1.82 -0.33 1.61 -7.23 -1.26 -4.77 120.40 109.56 2oml s VAL 129 Ca 0.00 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 57.89 2oml s VAL 129 Cb 0.00 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.75 2oml s VAL 129 CO 0.00 -0.47 0.11 -0.89 -0.31 0.00 0.00 175.10 173.54 2oml s THR 130 N -2.91 3.86 0.76 5.32 2.01 -1.26 -0.57 115.64 122.84 2oml s THR 130 Ca 0.26 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 2oml s THR 130 Cb 0.00 -3.15 0.14 0.00 0.01 0.00 0.00 72.50 69.50 2oml s THR 130 CO 0.10 -0.14 1.05 -0.76 -0.69 0.00 0.00 174.62 174.18 2oml s LEU 131 N 1.43 2.93 0.58 4.42 1.43 -0.47 -4.91 118.68 124.08 2oml s LEU 131 Ca -0.01 -0.29 0.33 0.00 -1.03 0.00 0.00 54.13 53.14 2oml s LEU 131 Cb -0.19 -1.99 1.78 0.00 0.03 0.00 0.00 46.19 45.83 2oml s LEU 131 CO 0.03 -2.02 2.18 -1.13 0.23 0.00 0.00 176.35 175.64 2oml h ASN 132 N -0.71 0.00 -0.66 2.29 -0.73 -2.01 -1.17 115.58 112.59 2oml h ASN 132 Ca -0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.80 2oml h ASN 132 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 2oml h ASN 132 CO 0.39 0.05 0.00 -0.90 -0.37 0.00 0.00 177.43 176.60 2oml n ASP 133 N -3.47 4.03 0.00 1.15 3.85 -1.26 -5.08 116.55 115.76 2oml n ASP 133 Ca -0.02 -2.18 0.00 0.00 -0.71 0.00 0.00 54.79 51.88 2oml n ASP 133 Cb 0.17 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.43 2oml n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2oml n GLY 134 N 1.38 0.98 3.75 6.12 0.00 -0.44 -5.05 105.19 111.93 2oml n GLY 134 Ca 0.23 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 2oml n GLY 134 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2oml s PRO 135 N -1.17 2.66 0.22 1.61 0.02 -1.26 -1.37 135.00 135.71 2oml s PRO 135 Ca 0.00 1.71 -0.07 0.00 0.02 0.00 0.00 61.00 62.67 2oml s PRO 135 Cb 0.00 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 2oml s PRO 135 CO 0.00 -1.42 0.49 0.95 -0.33 0.00 0.00 177.00 176.69 2oml s THR 136 N -1.88 5.04 0.69 0.99 -4.23 0.26 -4.89 115.64 111.62 2oml s THR 136 Ca 0.74 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 2oml s THR 136 Cb -0.28 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 69.92 2oml s THR 136 CO 0.39 -0.10 1.08 -0.76 -0.54 0.00 0.00 174.62 174.68 2oml s LEU 137 N -2.97 3.24 0.50 4.79 1.43 -1.26 -4.46 118.68 119.95 2oml s LEU 137 Ca 0.44 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 55.12 2oml s LEU 137 Cb -0.11 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.50 2oml s LEU 137 CO 0.25 -1.57 0.97 -2.65 0.23 0.00 0.00 176.35 173.57 2oml n PRO 138 N -2.84 1.15 -4.11 1.29 -0.02 -1.26 -4.64 135.00 124.57 2oml n PRO 138 Ca 0.09 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 2oml n PRO 138 Cb 0.53 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 2oml n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oml s ALA 139 N -1.40 0.66 0.09 3.55 0.00 -0.43 -4.68 121.76 119.55 2oml s ALA 139 Ca 0.68 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 2oml s ALA 139 Cb -0.49 0.97 -0.06 0.00 0.00 0.00 0.00 23.12 23.54 2oml s ALA 139 CO 0.53 -0.56 0.48 0.20 0.00 0.00 0.00 175.76 176.41 2oml s GLY 140 N -3.05 2.46 -0.25 0.00 0.00 -0.14 -4.31 107.32 102.04 2oml s GLY 140 Ca 0.25 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 2oml s GLY 140 CO 0.04 0.11 0.55 0.00 0.00 0.00 0.00 173.10 173.80 2oml s ALA 141 N -1.32 -1.61 -0.04 3.20 0.00 -1.25 -1.15 121.76 119.59 2oml s ALA 141 Ca 0.32 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 54.20 2oml s ALA 141 Cb -0.16 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2oml s ALA 141 CO 0.18 -0.73 0.15 -1.21 0.00 0.00 0.00 175.76 174.15 2oml s GLU 142 N 2.47 0.25 0.04 0.00 0.41 -0.60 -4.92 118.70 116.35 2oml s GLU 142 Ca -0.05 0.07 -0.30 0.00 -0.41 0.00 0.00 54.97 54.27 2oml s GLU 142 Cb -0.11 0.12 -0.05 0.00 -1.78 0.00 0.00 34.13 32.31 2oml s GLU 142 CO -0.16 -0.04 1.12 -1.17 -0.49 0.00 0.00 175.26 174.51 2oml s LEU 143 N -0.27 4.37 0.19 1.80 2.96 -1.26 -0.81 118.68 125.67 2oml s LEU 143 Ca -0.04 1.89 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 2oml s LEU 143 Cb -0.03 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2oml s LEU 143 CO 0.01 -0.39 -0.02 0.68 -1.32 0.00 0.00 176.35 175.31 2oml s VAL 144 N 1.00 0.92 0.64 1.68 -7.23 -0.43 -4.91 120.40 112.07 2oml s VAL 144 Ca 0.56 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 2oml s VAL 144 Cb -0.26 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 2oml s VAL 144 CO 0.29 -0.46 1.11 -1.81 -0.31 0.00 0.00 175.10 173.92 2oml s ASP 145 N -3.23 5.19 0.03 4.85 -0.00 -1.26 -4.12 116.67 118.13 2oml s ASP 145 Ca 0.24 2.03 -0.36 0.00 -0.00 0.00 0.00 52.55 54.47 2oml s ASP 145 Cb 0.05 -2.56 -0.14 0.00 -0.00 0.00 0.00 42.92 40.27 2oml s ASP 145 CO 0.05 -1.57 1.59 1.21 -0.00 0.00 0.00 175.17 176.45 2oml n GLU 146 N -2.24 1.73 -1.80 8.23 2.13 -1.26 -4.85 120.64 122.59 2oml n GLU 146 Ca 0.11 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 58.14 2oml n GLU 146 Cb 0.52 -2.37 -0.01 0.00 0.27 0.00 0.00 31.44 29.85 2oml n GLU 146 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2oml s PRO 147 N 1.79 4.12 0.47 5.31 0.02 -1.26 -4.88 135.00 140.56 2oml s PRO 147 Ca 0.86 2.57 0.15 0.00 0.02 0.00 0.00 61.00 64.60 2oml s PRO 147 Cb -0.81 -2.99 1.08 0.00 0.02 0.00 0.00 34.50 31.80 2oml s PRO 147 CO 0.47 -0.57 2.04 0.00 -0.33 0.00 0.00 177.00 178.60 2oml h ALA 148 N 3.77 1.77 -0.02 -1.55 0.00 -2.05 -2.59 119.26 118.59 2oml h ALA 148 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2oml h ALA 148 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2oml h ALA 148 CO 0.70 0.16 0.00 -2.67 0.00 0.00 0.00 179.25 177.45 2oml n TRP 149 N -4.37 0.02 -1.81 0.00 4.27 -1.26 -4.97 117.44 109.32 2oml n TRP 149 Ca -0.03 -0.01 -0.41 0.00 -3.89 0.00 0.00 57.50 53.16 2oml n TRP 149 Cb 0.20 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.15 2oml n TRP 149 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2oml s LEU 150 N -1.90 4.32 0.19 5.67 2.96 -0.98 -5.03 118.68 123.91 2oml s LEU 150 Ca 0.41 3.04 0.06 0.00 -0.22 0.00 0.00 54.13 57.42 2oml s LEU 150 Cb 0.20 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2oml s LEU 150 CO 0.33 -0.87 0.12 -1.66 -1.32 0.00 0.00 176.35 172.95 2oml s TRP 151 N -1.06 3.08 0.43 5.38 -2.14 -1.26 -5.10 118.94 118.26 2oml s TRP 151 Ca 0.53 -0.06 -0.25 0.00 2.66 0.00 0.00 56.10 58.98 2oml s TRP 151 Cb -0.46 -1.46 -0.08 0.00 -3.10 0.00 0.00 33.47 28.37 2oml s TRP 151 CO 0.62 0.52 1.29 -2.14 -2.66 0.00 0.00 176.95 174.58 2oml s PRO 152 N -3.25 3.84 0.04 3.25 0.02 -1.26 -5.02 135.00 132.62 2oml s PRO 152 Ca 0.31 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.27 2oml s PRO 152 Cb -0.09 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 2oml s PRO 152 CO 0.23 -0.58 0.47 0.50 -0.33 0.00 0.00 177.00 177.29 2oml s ARG 153 N -2.39 4.01 -0.25 5.54 3.52 -1.26 -5.07 118.95 123.05 2oml s ARG 153 Ca 0.60 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.72 2oml s ARG 153 Cb -0.37 -3.19 0.07 0.00 -1.56 0.00 0.00 34.95 29.90 2oml s ARG 153 CO 0.46 0.65 -0.04 0.54 -0.81 0.00 0.00 175.30 176.10 2oml s ASN 154 N -1.18 3.95 0.76 -2.12 4.22 -1.26 -2.31 114.94 117.00 2oml s ASN 154 Ca 0.27 -1.28 -0.11 0.00 -2.14 0.00 0.00 52.86 49.60 2oml s ASN 154 Cb -0.17 -1.21 0.05 0.00 1.28 0.00 0.00 41.25 41.19 2oml s ASN 154 CO 0.16 -0.25 1.08 -2.16 -2.04 0.00 0.00 177.10 173.88 2oml s PRO 155 N 1.36 2.42 1.03 3.55 0.04 -1.26 -4.89 135.00 137.24 2oml s PRO 155 Ca -0.04 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 2oml s PRO 155 Cb -0.19 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.62 2oml s PRO 155 CO -0.07 -1.44 1.16 -1.25 0.04 0.00 0.00 177.00 175.43 2oml s PRO 156 N -5.05 0.18 1.04 0.56 0.04 -0.98 -5.03 135.00 125.77 2oml s PRO 156 Ca 0.60 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 2oml s PRO 156 Cb -0.15 -1.75 0.21 0.00 0.04 0.00 0.00 34.50 32.85 2oml s PRO 156 CO 0.55 -2.80 1.08 0.96 0.04 0.00 0.00 177.00 176.83 2oml s ILE 157 N -3.28 2.02 -0.36 0.56 -4.36 -1.26 -5.06 121.20 109.46 2oml s ILE 157 Ca 0.68 0.01 -0.22 0.00 -0.26 0.00 0.00 60.65 60.86 2oml s ILE 157 Cb -0.11 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.18 2oml s ILE 157 CO 0.55 -0.01 0.70 -0.13 0.24 0.00 0.00 174.94 176.29 2oml s ARG 158 N -4.88 3.72 0.00 0.37 3.00 -1.26 -5.18 118.95 114.72 2oml s ARG 158 Ca 0.66 0.18 0.00 0.00 0.00 0.00 0.00 55.73 56.57 2oml s ARG 158 Cb -0.20 -3.81 0.00 0.00 0.00 0.00 0.00 34.95 30.95 2oml s ARG 158 CO 0.59 -0.78 0.00 0.54 0.00 0.00 0.00 175.30 175.65 2oml n ARG 160 N 6.21 0.00 -0.13 3.54 1.74 -1.26 -5.09 116.66 121.66 2oml n ARG 160 Ca 0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 2oml n ARG 160 Cb 0.48 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.96 2oml n ARG 160 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2oml h LYS 161 N 0.00 0.12 -0.03 5.56 1.79 -2.04 -2.84 116.57 119.13 2oml h LYS 161 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2oml h LYS 161 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2oml h LYS 161 CO 0.00 0.08 0.00 -1.13 -1.08 0.00 0.00 179.45 177.32 2oml n SER 162 N -5.19 0.84 -4.15 0.86 3.41 -1.26 -4.79 113.62 103.34 2oml n SER 162 Ca 0.04 -1.35 -0.33 0.00 -0.26 0.00 0.00 58.87 56.97 2oml n SER 162 Cb 0.23 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.00 2oml n SER 162 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oml s ILE 163 N -1.97 2.08 0.80 -1.33 1.01 -1.07 -5.11 121.20 115.59 2oml s ILE 163 Ca 0.40 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2oml s ILE 163 Cb 0.20 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 40.89 2oml s ILE 163 CO 0.32 0.54 1.09 -2.16 0.00 0.00 0.00 174.94 174.74 2oml s PRO 164 N 1.04 2.07 0.28 2.79 0.04 -1.26 -4.69 135.00 135.26 2oml s PRO 164 Ca -0.01 0.96 0.10 0.00 0.04 0.00 0.00 61.00 62.08 2oml s PRO 164 Cb -0.14 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2oml s PRO 164 CO -0.07 -1.72 -0.14 0.95 0.04 0.00 0.00 177.00 176.06 2oml s THR 165 N -2.97 2.13 0.10 1.26 -4.23 -1.26 -0.95 115.64 109.72 2oml s THR 165 Ca 0.61 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2oml s THR 165 Cb -0.16 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2oml s THR 165 CO 0.56 -0.39 -0.01 -0.44 -0.54 0.00 0.00 174.62 173.80 2oml s SER 166 N -3.48 0.73 -0.10 3.99 0.01 -0.50 -4.87 113.70 109.48 2oml s SER 166 Ca 0.29 -1.08 -0.00 0.00 1.31 0.00 0.00 55.95 56.46 2oml s SER 166 Cb -0.01 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2oml s SER 166 CO 0.13 -0.59 -0.08 0.26 0.41 0.00 0.00 173.24 173.36 2oml s TRP 167 N -3.83 2.91 0.09 2.43 0.52 -1.26 -0.59 118.94 119.21 2oml s TRP 167 Ca 0.15 -0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.13 2oml s TRP 167 Cb 0.07 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 2oml s TRP 167 CO -0.03 0.11 -0.15 -0.51 0.02 0.00 0.00 176.95 176.38 2oml s LEU 168 N -0.25 2.79 -0.29 2.99 1.43 0.37 -1.31 118.68 124.40 2oml s LEU 168 Ca 0.03 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 2oml s LEU 168 Cb -0.13 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 2oml s LEU 168 CO 0.03 0.20 0.10 -0.75 0.23 0.00 0.00 176.35 176.16 2oml s LYS 169 N -1.95 3.27 -0.12 1.70 2.20 0.01 -0.67 119.74 124.19 2oml s LYS 169 Ca 0.18 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2oml s LYS 169 Cb -0.11 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2oml s LYS 169 CO 0.10 -0.39 -0.20 0.42 -0.36 0.00 0.00 175.35 174.92 2oml s ILE 170 N 1.55 2.37 -0.25 5.43 1.01 0.01 -1.56 121.20 129.77 2oml s ILE 170 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2oml s ILE 170 Cb -0.17 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2oml s ILE 170 CO 0.04 0.55 -0.06 -0.89 0.00 0.00 0.00 174.94 174.58 2oml s THR 171 N 0.41 2.89 0.13 2.92 2.01 -0.30 -0.14 115.64 123.56 2oml s THR 171 Ca -0.15 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 60.90 2oml s THR 171 Cb -0.17 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2oml s THR 171 CO 0.07 0.19 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.29 2oml s LEU 172 N 1.32 2.89 -0.14 4.42 1.43 0.02 -0.96 118.68 127.65 2oml s LEU 172 Ca -0.00 -0.51 0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2oml s LEU 172 Cb -0.17 -1.67 0.31 0.00 0.03 0.00 0.00 46.19 44.70 2oml s LEU 172 CO -0.04 0.16 1.16 -1.22 0.23 0.00 0.00 176.35 176.64 2oml n TYR 173 N 0.56 0.00 -4.15 0.29 4.01 -1.26 -0.59 117.16 116.02 2oml n TYR 173 Ca -0.14 -1.08 -0.10 0.00 -0.16 0.00 0.00 57.90 56.43 2oml n TYR 173 Cb 0.53 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 39.29 2oml n TYR 173 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2oml s GLU 174 N -2.78 0.98 -0.23 -0.72 2.02 -1.26 -4.10 118.70 112.61 2oml s GLU 174 Ca 0.32 -1.46 0.21 0.00 0.02 0.00 0.00 54.97 54.06 2oml s GLU 174 Cb 0.29 0.25 0.49 0.00 0.10 0.00 0.00 34.13 35.26 2oml s GLU 174 CO -0.00 -0.29 1.13 0.41 0.02 0.00 0.00 175.26 176.53 2oml n GLY 175 N -0.13 2.43 3.78 -1.39 0.00 -1.26 -4.98 105.19 103.65 2oml n GLY 175 Ca -0.04 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2oml n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oml s ARG 176 N -3.25 2.30 -0.19 1.61 0.52 -1.26 -4.87 118.95 113.80 2oml s ARG 176 Ca 0.32 1.06 -0.39 0.00 -0.52 0.00 0.00 55.73 56.19 2oml s ARG 176 Cb 0.34 -1.91 -0.16 0.00 0.52 0.00 0.00 34.95 33.74 2oml s ARG 176 CO -0.05 -1.58 1.63 -1.71 0.02 0.00 0.00 175.30 173.61 2oml n ASN 177 N -3.47 2.14 -4.23 0.23 4.05 -1.26 -2.24 115.26 110.48 2oml n ASN 177 Ca 0.08 1.09 -0.34 0.00 0.45 0.00 0.00 54.58 55.87 2oml n ASN 177 Cb 0.53 -1.14 -0.05 0.00 1.23 0.00 0.00 39.78 40.35 2oml n ASN 177 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2oml n ARG 178 N 4.57 -2.35 -0.07 1.20 1.74 -1.26 -4.82 116.66 115.68 2oml n ARG 178 Ca 0.24 0.29 -0.11 0.00 -0.77 0.00 0.00 57.85 57.50 2oml n ARG 178 Cb 0.14 -4.60 -0.05 0.00 -1.02 0.00 0.00 32.46 26.93 2oml n ARG 178 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2oml h GLN 179 N -1.53 0.36 -0.28 5.56 4.15 -1.81 -0.72 115.11 120.84 2oml h GLN 179 Ca -0.62 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 58.69 2oml h GLN 179 Cb 1.39 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 2oml h GLN 179 CO 0.75 0.55 0.15 0.28 -1.93 0.00 0.00 178.83 178.62 2oml h VAL 180 N 0.12 1.13 -0.89 2.39 2.07 -1.87 -0.09 116.25 119.11 2oml h VAL 180 Ca 0.06 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2oml h VAL 180 Cb 0.38 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2oml h VAL 180 CO 0.01 0.13 0.57 0.03 0.02 0.00 0.00 177.57 178.33 2oml h ARG 181 N 0.32 1.06 -0.40 1.57 3.08 -1.88 -1.01 114.38 117.11 2oml h ARG 181 Ca 0.10 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 2oml h ARG 181 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2oml h ARG 181 CO -0.01 0.70 -0.34 0.00 -1.07 0.00 0.00 179.97 179.24 2oml h ARG 182 N 1.09 0.94 -0.21 0.04 3.08 -0.78 -2.38 114.38 116.15 2oml h ARG 182 Ca 0.36 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2oml h ARG 182 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2oml h ARG 182 CO -0.13 1.13 -0.00 0.52 -1.07 0.00 0.00 179.97 180.41 2oml h MET 183 N 0.78 0.37 -0.50 0.04 2.86 -0.64 -0.94 114.93 116.90 2oml h MET 183 Ca 0.07 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2oml h MET 183 Cb 0.93 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2oml h MET 183 CO 0.09 0.57 0.04 1.79 1.06 0.00 0.00 176.91 180.46 2oml h THR 184 N 0.14 1.26 -0.88 2.22 1.35 -1.21 -2.65 112.91 113.14 2oml h THR 184 Ca 0.06 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 2oml h THR 184 Cb 0.40 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 2oml h THR 184 CO 0.01 0.36 0.47 0.00 -0.25 0.00 0.00 175.52 176.10 2oml h ALA 185 N 0.95 1.13 -0.70 6.62 0.00 -1.41 -0.49 119.26 125.37 2oml h ALA 185 Ca 0.15 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2oml h ALA 185 Cb 0.46 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2oml h ALA 185 CO 0.02 0.66 0.38 1.25 0.00 0.00 0.00 179.25 181.55 2oml h HIS 186 N 1.24 0.69 -0.11 0.00 6.17 -0.83 -1.55 115.15 120.75 2oml h HIS 186 Ca 0.31 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.41 2oml h HIS 186 Cb 0.05 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 29.78 2oml h HIS 186 CO 0.01 0.30 0.00 1.33 0.71 0.00 0.00 177.93 180.28 2oml n VAL 187 N -4.80 0.14 0.00 5.26 0.24 -1.04 -4.92 118.33 113.20 2oml n VAL 187 Ca 0.10 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2oml n VAL 187 Cb 0.21 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2oml n VAL 187 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2oml n GLY 188 N 1.08 1.20 2.46 7.63 0.00 -0.58 -4.90 105.19 112.07 2oml n GLY 188 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2oml n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2oml n PHE 189 N -1.41 -0.37 -1.74 1.61 3.01 -0.23 -4.99 117.46 113.34 2oml n PHE 189 Ca 0.00 -3.44 -0.40 0.00 1.01 0.00 0.00 57.45 54.62 2oml n PHE 189 Cb 0.00 0.14 0.03 0.00 -0.01 0.00 0.00 39.48 39.64 2oml n PHE 189 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2oml n PRO 190 N 2.70 1.95 -2.47 -1.08 -0.02 -1.26 -3.86 135.00 130.96 2oml n PRO 190 Ca 0.29 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 2oml n PRO 190 Cb 0.46 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 2oml n PRO 190 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2oml s THR 191 N -1.24 4.12 -0.21 3.45 2.01 -1.26 -0.78 115.64 121.74 2oml s THR 191 Ca 0.65 1.56 0.15 0.00 0.31 0.00 0.00 61.69 64.36 2oml s THR 191 Cb -0.45 -4.00 -0.23 0.00 0.01 0.00 0.00 72.50 67.83 2oml s THR 191 CO 0.55 0.14 0.01 0.18 -0.69 0.00 0.00 174.62 174.81 2oml n LEU 192 N 3.70 0.59 -3.73 4.42 4.77 0.14 -4.93 117.00 121.96 2oml n LEU 192 Ca 0.08 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2oml n LEU 192 Cb 0.47 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 2oml n LEU 192 CO 0.55 0.58 0.09 -0.60 -1.33 0.00 0.00 177.39 176.68 2oml s ARG 193 N -2.49 0.49 -0.08 3.23 3.52 -1.06 -4.71 118.95 117.86 2oml s ARG 193 Ca -0.15 0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2oml s ARG 193 Cb 0.06 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2oml s ARG 193 CO 0.77 -0.06 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.99 2oml s LEU 194 N 0.21 1.02 -0.17 -0.88 2.96 -1.26 -1.24 118.68 119.31 2oml s LEU 194 Ca -0.00 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2oml s LEU 194 Cb -0.03 -0.59 0.03 0.00 0.50 0.00 0.00 46.19 46.10 2oml s LEU 194 CO 0.01 -0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.14 2oml s ILE 195 N 1.55 1.70 -0.37 6.68 1.01 -0.25 -1.05 121.20 130.47 2oml s ILE 195 Ca -0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 2oml s ILE 195 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.72 2oml s ILE 195 CO -0.04 0.39 0.95 -0.60 0.00 0.00 0.00 174.94 175.64 2oml s ARG 196 N 1.42 3.86 -0.08 2.79 3.52 0.19 -0.60 118.95 130.05 2oml s ARG 196 Ca 0.03 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.22 2oml s ARG 196 Cb -0.14 -3.80 -0.27 0.00 -1.56 0.00 0.00 34.95 29.19 2oml s ARG 196 CO -0.10 -0.96 0.53 -0.92 -0.81 0.00 0.00 175.30 173.03 2oml h TYR 197 N 8.47 0.43 -3.71 5.12 3.20 -0.76 0.59 116.97 130.31 2oml h TYR 197 Ca -0.23 -0.31 -0.14 0.00 3.14 0.00 0.00 58.73 61.19 2oml h TYR 197 Cb 1.08 -0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.14 2oml h TYR 197 CO 0.84 1.58 -0.53 0.00 -1.64 0.00 0.00 178.16 178.40 2oml s ALA 198 N -2.58 -0.14 -0.20 1.82 0.00 -0.94 -1.23 121.76 118.49 2oml s ALA 198 Ca -0.16 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 2oml s ALA 198 Cb 0.07 0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.45 2oml s ALA 198 CO 0.80 -0.25 0.45 1.41 0.00 0.00 0.00 175.76 178.17 2oml s MET 199 N -1.98 0.39 7.37 0.00 1.75 -0.22 -1.36 119.30 125.24 2oml s MET 199 Ca -0.10 0.99 0.00 0.00 -1.25 0.00 0.00 55.69 55.33 2oml s MET 199 Cb -0.05 0.24 0.00 0.00 2.84 0.00 0.00 34.83 37.86 2oml s MET 199 CO -0.02 -0.21 0.00 0.41 -0.65 0.00 0.00 175.02 174.55 2oml n GLY 200 N 4.95 3.57 0.07 2.11 0.00 0.04 -1.36 105.19 114.58 2oml n GLY 200 Ca -0.14 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2oml n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oml n ASP 201 N 4.89 0.42 -4.77 1.61 8.00 -1.26 -4.90 116.55 120.53 2oml n ASP 201 Ca 0.00 0.57 -0.26 0.00 0.71 0.00 0.00 54.79 55.81 2oml n ASP 201 Cb 0.00 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.37 2oml n ASP 201 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2oml s TYR 202 N -3.13 3.10 0.26 1.24 1.51 -0.46 -5.12 117.35 114.74 2oml s TYR 202 Ca 0.08 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 2oml s TYR 202 Cb 0.12 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2oml s TYR 202 CO 0.44 0.52 0.26 -1.54 -1.11 0.00 0.00 175.55 174.12 2oml s SER 203 N -3.05 0.59 0.00 2.29 1.04 -1.26 -1.05 113.70 112.26 2oml s SER 203 Ca 0.30 -1.43 0.26 0.00 0.48 0.00 0.00 55.95 55.57 2oml s SER 203 Cb -0.10 0.49 1.58 0.00 0.10 0.00 0.00 66.02 68.09 2oml s SER 203 CO 0.22 -1.00 2.01 0.18 0.98 0.00 0.00 173.24 175.63 2oml n LEU 204 N -0.41 0.00 -4.66 2.42 4.77 -0.37 -4.94 117.00 113.81 2oml n LEU 204 Ca 0.03 0.00 -0.56 0.00 -0.03 0.00 0.00 56.01 55.45 2oml n LEU 204 Cb 0.64 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2oml n LEU 204 CO 0.31 0.00 1.13 0.47 -1.33 0.00 0.00 177.39 177.97 2oml n ASP 205 N -0.92 1.97 -1.40 -1.43 8.00 -1.26 -0.89 116.55 120.63 2oml n ASP 205 Ca 0.20 1.10 -0.16 0.00 0.71 0.00 0.00 54.79 56.64 2oml n ASP 205 Cb 0.09 -1.14 -0.05 0.00 -0.02 0.00 0.00 41.12 40.00 2oml n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2oml n ASN 206 N 4.10 -4.86 -4.12 -2.24 5.03 -1.26 -4.99 115.26 106.93 2oml n ASN 206 Ca 0.23 0.27 -0.33 0.00 0.87 0.00 0.00 54.58 55.62 2oml n ASN 206 Cb 0.14 -3.82 -0.14 0.00 -1.02 0.00 0.00 39.78 34.94 2oml n ASN 206 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2oml s LEU 207 N -3.90 3.85 0.79 3.41 2.96 -0.07 -5.11 118.68 120.62 2oml s LEU 207 Ca 0.00 -1.44 -0.11 0.00 -0.22 0.00 0.00 54.13 52.37 2oml s LEU 207 Cb 0.00 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 45.11 2oml s LEU 207 CO 0.00 -0.26 1.11 0.00 -1.32 0.00 0.00 176.35 175.88 2oml s ALA 208 N 1.16 2.12 0.15 5.97 0.00 -1.26 -4.86 121.76 125.03 2oml s ALA 208 Ca -0.05 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 2oml s ALA 208 Cb -0.20 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 2oml s ALA 208 CO -0.03 -1.92 1.66 1.21 0.00 0.00 0.00 175.76 176.68 2oml s ASN 209 N -3.16 6.52 0.00 0.00 3.84 -1.26 -1.32 114.94 119.55 2oml s ASN 209 Ca 0.63 2.67 0.00 0.00 0.21 0.00 0.00 52.86 56.37 2oml s ASN 209 Cb -0.19 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 2oml s ASN 209 CO 0.55 -0.90 0.00 0.61 -2.79 0.00 0.00 177.10 174.57 2oml n GLY 210 N 3.93 1.06 3.92 1.21 0.00 0.63 -4.97 105.19 110.97 2oml n GLY 210 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2oml n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oml s GLU 211 N -0.48 3.51 0.18 1.61 2.02 -0.44 -4.91 118.70 120.19 2oml s GLU 211 Ca 0.00 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.68 2oml s GLU 211 Cb 0.00 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 2oml s GLU 211 CO 0.00 0.50 -0.08 1.67 0.02 0.00 0.00 175.26 177.37 2oml s TRP 212 N -1.69 1.42 0.02 1.61 1.48 -1.26 -1.66 118.94 118.86 2oml s TRP 212 Ca 0.37 -0.77 -0.02 0.00 -1.06 0.00 0.00 56.10 54.62 2oml s TRP 212 Cb -0.12 -0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 31.43 2oml s TRP 212 CO 0.28 0.09 0.02 -0.98 -4.06 0.00 0.00 176.95 172.29 2oml s ARG 213 N -3.76 0.41 0.04 3.25 1.70 -0.14 -4.99 118.95 115.46 2oml s ARG 213 Ca 0.21 -0.67 -0.21 0.00 -0.47 0.00 0.00 55.73 54.59 2oml s ARG 213 Cb 0.03 0.15 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 2oml s ARG 213 CO 0.04 -0.08 0.63 -1.21 -1.08 0.00 0.00 175.30 173.59 2oml s GLU 214 N -1.90 4.33 -0.25 3.89 0.41 -1.26 -0.93 118.70 122.99 2oml s GLU 214 Ca -0.12 0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 55.18 2oml s GLU 214 Cb -0.06 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 28.94 2oml s GLU 214 CO -0.02 0.46 0.12 0.08 -0.49 0.00 0.00 175.26 175.41 2oml s VAL 215 N -0.55 4.81 0.37 2.63 1.01 0.18 -4.95 120.40 123.90 2oml s VAL 215 Ca 0.32 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2oml s VAL 215 Cb -0.19 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2oml s VAL 215 CO 0.19 0.33 0.18 0.42 0.00 0.00 0.00 175.10 176.22 2oml s THR 216 N 1.38 0.37 0.00 3.92 -4.23 -1.26 -4.26 115.64 111.56 2oml s THR 216 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2oml s THR 216 Cb -0.15 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2oml s THR 216 CO 0.05 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.46