#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0f s LEU 27 N 0.00 4.94 0.21 3.17 1.43 -1.11 -4.96 118.68 122.36 1n0f s LEU 27 Ca 0.00 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1n0f s LEU 27 Cb 0.00 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1n0f s LEU 27 CO 0.00 -0.64 -0.16 -0.76 0.23 0.00 0.00 176.35 175.02 1n0f s LEU 28 N 2.19 2.54 0.00 1.79 1.43 -1.26 -0.16 118.68 125.21 1n0f s LEU 28 Ca 0.12 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1n0f s LEU 28 Cb -0.18 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1n0f s LEU 28 CO 0.13 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1n0f n GLY 29 N -0.31 0.70 3.21 -3.19 0.00 -1.26 -4.45 105.19 99.88 1n0f n GLY 29 Ca -0.08 -2.09 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 1n0f n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0f s THR 30 N -1.28 1.56 -0.02 2.61 2.01 -1.26 0.63 115.64 119.89 1n0f s THR 30 Ca 0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 1n0f s THR 30 Cb 0.00 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1n0f s THR 30 CO 0.00 0.42 0.03 -0.36 -0.69 0.00 0.00 174.62 174.02 1n0f s PHE 31 N -0.49 0.02 -0.22 4.92 0.08 0.11 -4.95 117.98 117.45 1n0f s PHE 31 Ca 0.08 0.14 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 1n0f s PHE 31 Cb -0.08 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1n0f s PHE 31 CO -0.01 -0.09 0.27 -0.80 -0.10 0.00 0.00 175.22 174.50 1n0f s ASN 32 N 1.00 6.27 0.32 1.36 0.01 -1.26 -0.10 114.94 122.54 1n0f s ASN 32 Ca -0.08 0.30 0.04 0.00 -0.71 0.00 0.00 52.86 52.41 1n0f s ASN 32 Cb -0.12 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 1n0f s ASN 32 CO -0.03 -0.00 0.32 0.27 -1.51 0.00 0.00 177.10 176.14 1n0f s ILE 33 N 1.18 0.00 -0.02 0.60 -4.36 -0.08 -5.00 121.20 113.52 1n0f s ILE 33 Ca 0.13 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.69 1n0f s ILE 33 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1n0f s ILE 33 CO 0.06 0.00 -0.22 -0.89 0.24 0.00 0.00 174.94 174.13 1n0f s THR 34 N -3.41 1.78 -0.28 8.37 2.01 -1.26 0.82 115.64 123.68 1n0f s THR 34 Ca 0.38 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1n0f s THR 34 Cb 0.02 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1n0f s THR 34 CO 0.25 0.50 0.98 -0.22 -0.69 0.00 0.00 174.62 175.44 1n0f s LEU 35 N -0.49 4.04 0.00 4.42 0.20 -1.26 -4.64 118.68 120.94 1n0f s LEU 35 Ca 0.08 1.10 -0.16 0.00 0.69 0.00 0.00 54.13 55.84 1n0f s LEU 35 Cb -0.09 -3.42 0.23 0.00 -0.43 0.00 0.00 46.19 42.48 1n0f s LEU 35 CO -0.01 -0.71 1.04 -0.90 -0.29 0.00 0.00 176.35 175.48 1n0f n ASP 36 N 6.45 -1.00 -0.26 3.68 3.85 -0.55 -4.72 116.55 124.01 1n0f n ASP 36 Ca 0.10 -1.23 0.07 0.00 -0.71 0.00 0.00 54.79 53.01 1n0f n ASP 36 Cb 0.47 -0.87 0.31 0.00 -1.35 0.00 0.00 41.12 39.67 1n0f n ASP 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n0f h ALA 37 N -2.26 1.64 -0.34 2.12 0.00 -1.95 -1.84 119.26 116.63 1n0f h ALA 37 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1n0f h ALA 37 Cb 1.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1n0f h ALA 37 CO 0.25 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.33 1n0f n LYS 38 N -4.51 3.21 -2.61 0.00 5.02 -1.26 -4.91 118.16 113.11 1n0f n LYS 38 Ca 0.14 -1.81 -0.17 0.00 -2.02 0.00 0.00 58.31 54.44 1n0f n LYS 38 Cb 0.27 -1.92 0.01 0.00 -0.02 0.00 0.00 35.03 33.37 1n0f n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0f n ASN 39 N 0.38 -5.09 -4.79 4.39 5.03 -0.69 -4.81 115.26 109.68 1n0f n ASN 39 Ca 0.16 -0.13 -0.22 0.00 0.87 0.00 0.00 54.58 55.26 1n0f n ASN 39 Cb 0.78 -4.05 -0.05 0.00 -1.02 0.00 0.00 39.78 35.44 1n0f n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n0f s ARG 40 N -5.17 2.69 -0.02 3.52 0.52 -1.26 -1.28 118.95 117.95 1n0f s ARG 40 Ca 0.13 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.13 1n0f s ARG 40 Cb -0.06 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1n0f s ARG 40 CO 0.16 0.27 -0.13 0.42 0.02 0.00 0.00 175.30 176.04 1n0f s ILE 41 N -2.25 1.06 -0.26 1.52 1.01 -0.55 -1.48 121.20 120.24 1n0f s ILE 41 Ca 0.35 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 1n0f s ILE 41 Cb -0.06 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1n0f s ILE 41 CO 0.24 0.31 0.25 -0.44 0.00 0.00 0.00 174.94 175.30 1n0f s SER 42 N -0.13 6.14 0.04 3.58 0.01 -1.26 -0.97 113.70 121.11 1n0f s SER 42 Ca 0.02 0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1n0f s SER 42 Cb -0.07 -2.15 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 1n0f s SER 42 CO 0.00 -0.06 1.48 -0.76 0.41 0.00 0.00 173.24 174.31 1n0f s LEU 43 N 1.66 4.34 0.00 2.44 1.43 0.18 -4.84 118.68 123.88 1n0f s LEU 43 Ca 0.10 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1n0f s LEU 43 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1n0f s LEU 43 CO 0.09 -0.76 0.00 -2.65 0.23 0.00 0.00 176.35 173.26 1n0f n PRO 44 N 5.26 0.00 0.00 1.29 -0.02 -1.26 -4.46 135.00 135.81 1n0f n PRO 44 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1n0f n PRO 44 Cb 0.42 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1n0f n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n0f n ALA 45 N -0.01 0.00 0.07 3.55 0.00 -1.26 -4.15 120.51 118.71 1n0f n ALA 45 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1n0f n ALA 45 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1n0f n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n0f h LYS 46 N 0.00 -0.39 -0.35 0.00 1.57 -2.02 -2.76 116.57 112.62 1n0f h LYS 46 Ca 0.00 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1n0f h LYS 46 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1n0f h LYS 46 CO 0.00 -0.26 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.28 1n0f h LEU 47 N -0.41 0.72 -1.83 2.94 4.07 -1.90 -3.18 115.31 115.73 1n0f h LEU 47 Ca 0.05 -0.27 0.17 0.00 0.08 0.00 0.00 57.88 57.91 1n0f h LEU 47 Cb 0.47 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 1n0f h LEU 47 CO -0.20 0.96 0.47 -0.09 -1.08 0.00 0.00 178.44 178.50 1n0f h ARG 48 N 0.61 0.16 0.11 1.13 2.43 -1.71 -2.63 114.38 114.48 1n0f h ARG 48 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1n0f h ARG 48 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1n0f h ARG 48 CO 0.06 0.11 -0.13 0.00 -1.51 0.00 0.00 179.97 178.50 1n0f h ALA 49 N 1.67 -0.83 -0.75 2.80 0.00 -1.50 -3.05 119.26 117.60 1n0f h ALA 49 Ca 0.33 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.35 1n0f h ALA 49 Cb 1.05 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1n0f h ALA 49 CO -0.05 -0.84 -0.16 0.34 0.00 0.00 0.00 179.25 178.53 1n0f n PHE 50 N -3.07 0.29 -2.91 0.00 7.35 -1.00 -4.27 117.46 113.86 1n0f n PHE 50 Ca -0.03 0.91 -0.41 0.00 -0.76 0.00 0.00 57.45 57.16 1n0f n PHE 50 Cb 0.11 -0.95 -0.04 0.00 0.35 0.00 0.00 39.48 38.95 1n0f n PHE 50 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1n0f s PHE 51 N -5.91 3.40 0.00 -5.13 0.08 -1.15 -5.02 117.98 104.25 1n0f s PHE 51 Ca -0.11 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1n0f s PHE 51 Cb 0.20 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1n0f s PHE 51 CO 0.58 -0.25 0.00 0.39 -0.10 0.00 0.00 175.22 175.84 1n0f n GLU 52 N 5.32 0.15 -0.02 0.44 1.02 -1.26 -4.90 120.64 121.39 1n0f n GLU 52 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1n0f n GLU 52 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.90 1n0f n GLU 52 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1n0f h GLY 53 N 0.00 0.76 -2.86 0.62 0.00 -1.97 -3.45 103.07 96.18 1n0f h GLY 53 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 47.33 46.22 1n0f h GLY 53 CO 0.00 0.85 -0.58 -1.35 0.00 0.00 0.00 176.54 175.46 1n0f s SER 54 N -6.98 0.25 0.22 0.19 1.04 -1.26 -0.20 113.70 106.96 1n0f s SER 54 Ca -0.09 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1n0f s SER 54 Cb 0.10 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1n0f s SER 54 CO 0.87 -0.76 0.10 0.27 0.98 0.00 0.00 173.24 174.70 1n0f s ILE 55 N -4.03 0.27 -0.05 -1.02 -5.25 -0.02 -4.32 121.20 106.78 1n0f s ILE 55 Ca 0.23 -1.99 0.02 0.00 -0.99 0.00 0.00 60.65 57.91 1n0f s ILE 55 Cb 0.07 -2.50 -0.03 0.00 2.95 0.00 0.00 42.46 42.94 1n0f s ILE 55 CO 0.01 -0.06 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.34 1n0f s VAL 56 N -3.96 3.63 -0.11 8.37 1.01 -0.15 -0.11 120.40 129.08 1n0f s VAL 56 Ca 0.37 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1n0f s VAL 56 Cb 0.07 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1n0f s VAL 56 CO 0.11 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.64 1n0f n ILE 57 N 2.06 0.59 -0.59 2.22 3.06 -1.26 -1.97 119.36 123.48 1n0f n ILE 57 Ca -0.17 -0.18 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 1n0f n ILE 57 Cb 0.53 -1.35 0.00 0.00 0.54 0.00 0.00 39.64 39.36 1n0f n ILE 57 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1n0f n ASN 58 N -3.23 0.00 -4.81 9.51 0.23 -1.17 -2.90 115.26 112.90 1n0f n ASN 58 Ca -0.20 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.48 1n0f n ASN 58 Cb 0.67 -1.23 -0.06 0.00 -2.08 0.00 0.00 39.78 37.08 1n0f n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n0f s ARG 59 N -3.76 4.27 0.00 -3.83 1.70 -1.25 -1.41 118.95 114.68 1n0f s ARG 59 Ca 0.00 0.85 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 1n0f s ARG 59 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 1n0f s ARG 59 CO 0.00 0.50 0.00 0.41 -1.08 0.00 0.00 175.30 175.13 1n0f n GLY 60 N 1.13 1.73 3.90 3.88 0.00 -1.26 -4.70 105.19 109.87 1n0f n GLY 60 Ca -0.05 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1n0f n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n0f s PHE 61 N 1.77 3.49 -1.41 1.61 0.08 -1.26 -4.23 117.98 118.02 1n0f s PHE 61 Ca 0.00 0.47 -0.02 0.00 0.12 0.00 0.00 56.93 57.49 1n0f s PHE 61 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1n0f s PHE 61 CO 0.00 0.47 0.29 0.39 -0.10 0.00 0.00 175.22 176.27 1n0f n GLU 62 N 0.09 -2.96 -2.94 0.44 4.71 -1.26 -3.59 120.64 115.13 1n0f n GLU 62 Ca -0.03 0.81 -0.12 0.00 -0.01 0.00 0.00 57.16 57.81 1n0f n GLU 62 Cb 0.52 -5.35 0.06 0.00 -1.01 0.00 0.00 31.44 25.66 1n0f n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n0f n ASN 63 N -1.66 -3.89 0.00 1.62 3.02 -1.26 -5.01 115.26 108.08 1n0f n ASN 63 Ca -0.15 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1n0f n ASN 63 Cb 0.63 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1n0f n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0f n LEU 65 N -0.80 -5.06 -4.73 0.00 4.32 -1.26 -2.15 117.00 107.31 1n0f n LEU 65 Ca 0.00 2.30 -0.28 0.00 -0.02 0.00 0.00 56.01 58.01 1n0f n LEU 65 Cb 0.00 -2.58 -0.07 0.00 -1.62 0.00 0.00 43.42 39.15 1n0f n LEU 65 CO 0.00 -1.48 -0.29 -1.61 -1.22 0.00 0.00 177.39 172.79 1n0f s GLU 66 N -1.22 2.69 -0.06 3.23 2.02 -0.50 -0.88 118.70 123.97 1n0f s GLU 66 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1n0f s GLU 66 Cb 0.00 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.66 1n0f s GLU 66 CO 0.00 0.51 -0.15 0.08 0.02 0.00 0.00 175.26 175.72 1n0f s VAL 67 N -1.53 1.34 0.05 2.63 1.01 0.22 -4.25 120.40 119.88 1n0f s VAL 67 Ca 0.28 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1n0f s VAL 67 Cb -0.11 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1n0f s VAL 67 CO 0.21 0.40 -0.01 -0.13 0.00 0.00 0.00 175.10 175.57 1n0f s ARG 68 N 0.41 0.61 0.31 2.72 0.52 -0.83 -1.09 118.95 121.60 1n0f s ARG 68 Ca -0.11 -1.15 -0.28 0.00 -0.52 0.00 0.00 55.73 53.67 1n0f s ARG 68 Cb -0.14 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.45 1n0f s ARG 68 CO 0.04 -0.12 1.09 0.15 0.02 0.00 0.00 175.30 176.47 1n0f s LYS 69 N -3.74 4.51 0.26 3.54 1.02 -1.26 -0.98 119.74 123.08 1n0f s LYS 69 Ca 0.05 1.73 -0.03 0.00 0.02 0.00 0.00 55.97 57.74 1n0f s LYS 69 Cb 0.06 -3.01 0.53 0.00 -0.52 0.00 0.00 37.83 34.89 1n0f s LYS 69 CO -0.09 0.11 1.66 -1.35 -0.92 0.00 0.00 175.35 174.76 1n0f h PRO 70 N 3.46 0.21 -0.91 -1.68 0.11 -1.90 0.94 132.00 132.22 1n0f h PRO 70 Ca -0.47 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1n0f h PRO 70 Cb 1.21 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1n0f h PRO 70 CO 0.66 0.14 0.55 1.96 -0.21 0.00 0.00 178.00 181.09 1n0f h GLN 71 N 0.21 0.88 -0.22 1.05 7.50 -1.96 0.11 115.11 122.68 1n0f h GLN 71 Ca 0.46 -0.05 -0.15 0.00 0.50 0.00 0.00 58.65 59.41 1n0f h GLN 71 Cb 0.83 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1n0f h GLN 71 CO -0.59 0.58 -0.47 -0.44 -1.50 0.00 0.00 178.83 176.41 1n0f h ASP 72 N 0.90 0.63 -0.67 1.46 3.32 -1.26 -2.25 116.42 118.55 1n0f h ASP 72 Ca 0.44 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1n0f h ASP 72 Cb 0.41 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1n0f h ASP 72 CO -0.25 1.01 0.18 0.15 -1.72 0.00 0.00 179.24 178.60 1n0f h PHE 73 N 0.46 1.13 -0.14 4.55 3.57 0.54 -0.41 116.94 126.64 1n0f h PHE 73 Ca 0.03 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1n0f h PHE 73 Cb 1.00 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1n0f h PHE 73 CO 0.04 0.91 -0.11 0.37 -2.23 0.00 0.00 178.31 177.30 1n0f h GLN 74 N 1.03 -0.11 -0.33 1.11 5.75 -0.61 -0.63 115.11 121.32 1n0f h GLN 74 Ca 0.22 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1n0f h GLN 74 Cb 0.34 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1n0f h GLN 74 CO -0.00 -0.08 -0.05 0.87 -2.65 0.00 0.00 178.83 176.93 1n0f h LYS 75 N -0.12 0.53 -0.43 1.69 1.57 -0.95 -2.75 116.57 116.11 1n0f h LYS 75 Ca 0.09 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1n0f h LYS 75 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1n0f h LYS 75 CO -0.21 0.59 0.14 -0.92 -0.57 0.00 0.00 179.45 178.47 1n0f h TYR 76 N 0.50 0.68 -0.10 -1.35 3.20 -0.47 -3.09 116.97 116.34 1n0f h TYR 76 Ca 0.10 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1n0f h TYR 76 Cb 0.39 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1n0f h TYR 76 CO 0.01 0.62 -0.10 0.35 -1.64 0.00 0.00 178.16 177.40 1n0f h PHE 77 N 0.55 -0.24 -0.88 -3.82 3.57 -0.85 -2.39 116.94 112.88 1n0f h PHE 77 Ca 0.14 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.88 1n0f h PHE 77 Cb 0.25 0.12 -0.13 0.00 2.79 0.00 0.00 35.95 38.98 1n0f h PHE 77 CO 0.01 -0.15 0.31 0.93 -2.23 0.00 0.00 178.31 177.18 1n0f h GLU 78 N -0.12 0.29 0.00 1.11 5.08 -1.43 1.03 114.58 120.54 1n0f h GLU 78 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1n0f h GLU 78 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1n0f h GLU 78 CO -0.17 0.19 0.12 1.04 -1.00 0.00 0.00 179.01 179.19 1n0f n GLN 79 N -5.13 0.05 -0.05 2.33 6.02 -0.90 -0.33 117.38 119.36 1n0f n GLN 79 Ca 0.21 0.48 -0.19 0.00 -0.01 0.00 0.00 57.00 57.49 1n0f n GLN 79 Cb 0.67 -1.77 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 1n0f n GLN 79 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1n0f n PHE 80 N -1.70 0.71 0.01 1.08 3.72 0.35 -4.10 117.46 117.54 1n0f n PHE 80 Ca -0.00 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1n0f n PHE 80 Cb 0.13 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.59 1n0f n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1n0f n ASN 81 N -3.36 0.02 -0.32 4.37 4.13 0.55 0.76 115.26 121.41 1n0f n ASN 81 Ca -0.37 0.44 0.06 0.00 1.68 0.00 0.00 54.58 56.39 1n0f n ASN 81 Cb 1.03 -0.44 0.24 0.00 -1.54 0.00 0.00 39.78 39.07 1n0f n ASN 81 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n0f n SER 82 N -1.46 0.95 -4.72 6.41 3.41 -1.18 -4.78 113.62 112.24 1n0f n SER 82 Ca -0.00 -1.82 -0.35 0.00 -0.26 0.00 0.00 58.87 56.44 1n0f n SER 82 Cb 0.07 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1n0f n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n0f s PHE 83 N -1.81 3.32 0.00 7.33 0.08 0.23 -5.05 117.98 122.09 1n0f s PHE 83 Ca 0.20 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1n0f s PHE 83 Cb 0.10 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1n0f s PHE 83 CO 0.15 0.41 0.00 -2.30 -0.10 0.00 0.00 175.22 173.39 1n0f n PRO 84 N 2.68 0.00 0.00 0.24 -0.02 -1.26 -4.81 135.00 131.83 1n0f n PRO 84 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1n0f n PRO 84 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1n0f n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n0f n SER 85 N -1.19 0.00 0.00 2.55 2.88 -1.26 -4.64 113.62 111.96 1n0f n SER 85 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1n0f n SER 85 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1n0f n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0f n THR 86 N -0.76 0.01 -3.01 2.46 -2.24 -1.26 -4.76 114.28 104.72 1n0f n THR 86 Ca 0.00 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1n0f n THR 86 Cb 0.00 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 1n0f n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n0f s GLN 87 N -3.00 4.48 0.12 -0.78 -1.52 -1.26 -4.97 119.66 112.72 1n0f s GLN 87 Ca 0.11 1.03 -0.20 0.00 -1.95 0.00 0.00 55.36 54.35 1n0f s GLN 87 Cb 0.17 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 1n0f s GLN 87 CO 0.70 0.30 1.72 -0.22 -0.25 0.00 0.00 175.29 177.54 1n0f h LYS 88 N 5.63 0.03 -0.40 2.91 3.64 -2.01 -2.30 116.57 124.07 1n0f h LYS 88 Ca -0.44 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1n0f h LYS 88 Cb 1.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1n0f h LYS 88 CO 0.71 0.02 0.24 -0.44 -2.27 0.00 0.00 179.45 177.70 1n0f h ASP 89 N 0.03 0.46 -0.33 4.20 3.32 -1.98 -1.40 116.42 120.73 1n0f h ASP 89 Ca 0.08 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1n0f h ASP 89 Cb 0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1n0f h ASP 89 CO -0.16 0.36 0.02 0.74 -1.72 0.00 0.00 179.24 178.47 1n0f h THR 90 N 0.54 1.22 -0.10 0.35 2.02 -1.79 -1.68 112.91 113.48 1n0f h THR 90 Ca 0.14 -0.87 -0.22 0.00 0.77 0.00 0.00 66.41 66.23 1n0f h THR 90 Cb -0.02 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1n0f h THR 90 CO -0.03 0.31 -0.78 0.03 0.37 0.00 0.00 175.52 175.42 1n0f h ARG 91 N 0.64 0.70 -0.38 6.66 3.08 -1.12 -1.42 114.38 122.54 1n0f h ARG 91 Ca 0.13 -0.62 0.06 0.00 0.07 0.00 0.00 59.98 59.61 1n0f h ARG 91 Cb 0.37 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1n0f h ARG 91 CO 0.01 1.23 0.08 1.15 -1.07 0.00 0.00 179.97 181.37 1n0f h THR 92 N 0.38 0.82 -0.24 2.04 2.02 -1.05 0.14 112.91 117.02 1n0f h THR 92 Ca -0.07 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1n0f h THR 92 Cb 1.43 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1n0f h THR 92 CO 0.16 0.04 0.14 0.25 0.37 0.00 0.00 175.52 176.48 1n0f h LEU 93 N 0.21 0.29 -1.10 2.58 5.85 -1.26 0.18 115.31 122.05 1n0f h LEU 93 Ca 0.18 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1n0f h LEU 93 Cb 0.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1n0f h LEU 93 CO -0.23 0.27 -0.12 0.11 -0.34 0.00 0.00 178.44 178.12 1n0f h LYS 94 N 0.29 0.49 -0.20 1.25 1.57 -0.79 -1.53 116.57 117.64 1n0f h LYS 94 Ca 0.09 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1n0f h LYS 94 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1n0f h LYS 94 CO -0.02 0.61 -0.49 0.00 -0.57 0.00 0.00 179.45 178.98 1n0f h ARG 95 N 0.46 0.69 -0.10 3.15 3.08 -0.35 -0.38 114.38 120.93 1n0f h ARG 95 Ca 0.09 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 1n0f h ARG 95 Cb 0.49 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1n0f h ARG 95 CO 0.03 1.09 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.62 1n0f h LEU 96 N 0.39 0.19 0.00 3.04 3.38 -0.48 -2.93 115.31 118.91 1n0f h LEU 96 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n0f h LEU 96 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1n0f h LEU 96 CO 0.11 0.52 -0.20 0.40 0.09 0.00 0.00 178.44 179.35 1n0f h ILE 97 N 0.16 0.00 0.00 1.22 2.04 -1.20 -3.40 117.51 116.33 1n0f h ILE 97 Ca 0.02 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1n0f h ILE 97 Cb 0.67 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1n0f h ILE 97 CO 0.05 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.94 1n0f h PHE 98 N -0.81 0.00 0.00 1.37 0.04 -1.20 -2.30 116.94 114.04 1n0f h PHE 98 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n0f h PHE 98 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1n0f h PHE 98 CO -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.62 1n0f n ALA 99 N -1.92 2.11 -0.81 2.45 0.00 -1.10 -2.74 120.51 118.50 1n0f n ALA 99 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1n0f n ALA 99 Cb 0.31 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.47 1n0f n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n0f n ASN 100 N -1.45 2.14 -4.89 0.00 3.02 -0.87 -5.02 115.26 108.19 1n0f n ASN 100 Ca 0.07 -2.72 -0.29 0.00 -0.03 0.00 0.00 54.58 51.60 1n0f n ASN 100 Cb 0.25 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 1n0f n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0f s ALA 101 N -2.22 3.34 0.00 5.41 0.00 -1.11 -3.05 121.76 124.12 1n0f s ALA 101 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1n0f s ALA 101 Cb 0.19 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1n0f s ALA 101 CO 0.02 -0.22 0.00 0.09 0.00 0.00 0.00 175.76 175.65 1n0f n ASN 102 N -1.84 0.63 -1.57 0.00 4.13 -1.26 -4.68 115.26 110.67 1n0f n ASN 102 Ca 0.02 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.27 1n0f n ASN 102 Cb 0.54 0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.82 1n0f n ASN 102 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1n0f n PHE 103 N -1.09 -1.04 -4.15 3.10 3.72 -1.24 -4.86 117.46 111.90 1n0f n PHE 103 Ca 0.00 0.61 -0.16 0.00 -0.05 0.00 0.00 57.45 57.85 1n0f n PHE 103 Cb 0.07 -2.19 -0.11 0.00 -0.94 0.00 0.00 39.48 36.31 1n0f n PHE 103 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1n0f s VAL 104 N -0.14 0.92 -0.04 -4.37 1.01 0.85 -4.94 120.40 113.68 1n0f s VAL 104 Ca -0.04 -1.38 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 1n0f s VAL 104 Cb 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1n0f s VAL 104 CO 0.11 -0.39 0.26 -1.81 0.00 0.00 0.00 175.10 173.28 1n0f s ASP 105 N -1.97 6.55 -0.20 3.32 1.01 -1.26 -0.84 116.67 123.27 1n0f s ASP 105 Ca -0.01 0.64 -0.20 0.00 0.71 0.00 0.00 52.55 53.69 1n0f s ASP 105 Cb -0.07 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1n0f s ASP 105 CO 0.01 0.33 0.60 -0.69 0.21 0.00 0.00 175.17 175.63 1n0f s VAL 106 N -1.14 5.04 0.85 -1.27 1.01 0.72 -4.50 120.40 121.11 1n0f s VAL 106 Ca 0.22 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 63.20 1n0f s VAL 106 Cb -0.14 -3.91 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1n0f s VAL 106 CO 0.11 0.12 1.13 1.51 0.00 0.00 0.00 175.10 177.97 1n0f s ASP 107 N 1.21 4.06 0.38 3.32 3.84 -0.22 -4.81 116.67 124.45 1n0f s ASP 107 Ca 0.27 1.02 0.17 0.00 -0.00 0.00 0.00 52.55 54.02 1n0f s ASP 107 Cb -0.16 -1.64 1.08 0.00 -1.38 0.00 0.00 42.92 40.82 1n0f s ASP 107 CO 0.10 -2.21 1.75 0.71 -0.00 0.00 0.00 175.17 175.51 1n0f h THR 108 N -1.26 0.49 -0.07 2.11 1.35 -1.97 0.53 112.91 114.09 1n0f h THR 108 Ca -0.48 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1n0f h THR 108 Cb 1.31 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1n0f h THR 108 CO 0.62 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1n0f n ALA 109 N -2.43 2.53 -2.33 6.62 0.00 -1.26 -4.87 120.51 118.77 1n0f n ALA 109 Ca 0.27 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1n0f n ALA 109 Cb 0.89 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 1n0f n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0f n GLY 110 N 0.47 -0.11 3.75 0.00 0.00 0.19 -4.72 105.19 104.77 1n0f n GLY 110 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1n0f n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0f s ARG 111 N -4.73 2.75 -0.09 1.61 0.52 -1.24 0.50 118.95 118.26 1n0f s ARG 111 Ca 0.04 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1n0f s ARG 111 Cb -0.02 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.83 1n0f s ARG 111 CO 0.05 0.54 -0.18 0.08 0.02 0.00 0.00 175.30 175.80 1n0f s VAL 112 N -1.45 1.62 -0.27 3.52 1.01 -0.14 -1.06 120.40 123.62 1n0f s VAL 112 Ca 0.28 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 1n0f s VAL 112 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1n0f s VAL 112 CO 0.21 0.46 0.77 -0.22 0.00 0.00 0.00 175.10 176.32 1n0f s LEU 113 N 0.62 4.08 -0.21 3.92 0.20 -1.26 -1.48 118.68 124.56 1n0f s LEU 113 Ca -0.14 0.80 -0.25 0.00 0.69 0.00 0.00 54.13 55.23 1n0f s LEU 113 Cb -0.16 -3.07 -0.01 0.00 -0.43 0.00 0.00 46.19 42.51 1n0f s LEU 113 CO 0.04 -0.53 0.84 -0.63 -0.29 0.00 0.00 176.35 175.78 1n0f s ILE 114 N 2.83 4.85 0.29 6.68 1.01 -0.40 -4.96 121.20 131.50 1n0f s ILE 114 Ca 0.32 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.31 1n0f s ILE 114 Cb -0.15 -4.14 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 1n0f s ILE 114 CO 0.10 -0.03 1.17 -2.65 0.00 0.00 0.00 174.94 173.53 1n0f n PRO 115 N 5.65 1.70 -0.16 2.79 -0.02 -1.26 -4.69 135.00 139.01 1n0f n PRO 115 Ca 0.05 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1n0f n PRO 115 Cb 0.48 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1n0f n PRO 115 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1n0f h ASN 116 N 2.60 -1.22 -0.99 2.55 2.35 -1.97 0.13 115.58 119.03 1n0f h ASN 116 Ca -0.43 0.21 0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1n0f h ASN 116 Cb 1.31 0.57 -0.09 0.00 0.05 0.00 0.00 38.32 40.16 1n0f h ASN 116 CO 0.64 -0.33 0.60 -0.55 -1.65 0.00 0.00 177.43 176.15 1n0f h ASN 117 N -0.24 0.84 -0.26 5.81 -0.00 -2.00 -1.00 115.58 118.74 1n0f h ASN 117 Ca 0.19 0.07 -0.15 0.00 -0.00 0.00 0.00 56.30 56.41 1n0f h ASN 117 Cb 0.55 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.78 1n0f h ASN 117 CO -0.61 0.39 -0.40 -0.07 -0.00 0.00 0.00 177.43 176.74 1n0f h LEU 118 N 0.88 0.81 -1.46 6.14 4.07 -1.58 -0.40 115.31 123.77 1n0f h LEU 118 Ca 0.52 -0.52 0.16 0.00 0.08 0.00 0.00 57.88 58.13 1n0f h LEU 118 Cb 0.65 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 1n0f h LEU 118 CO -0.32 1.17 0.55 0.40 -1.08 0.00 0.00 178.44 179.16 1n0f h ILE 119 N 0.47 0.78 0.14 1.22 1.08 0.21 -2.35 117.51 119.06 1n0f h ILE 119 Ca 0.02 -0.18 -0.19 0.00 -0.39 0.00 0.00 64.86 64.13 1n0f h ILE 119 Cb 1.00 0.22 0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1n0f h ILE 119 CO 0.09 0.09 -0.82 0.78 -0.69 0.00 0.00 178.15 177.61 1n0f h ASN 120 N 0.51 0.47 -0.19 1.72 2.35 -0.99 -1.83 115.58 117.62 1n0f h ASN 120 Ca 0.42 -0.95 0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1n0f h ASN 120 Cb 0.88 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 1n0f h ASN 120 CO -0.17 1.40 -0.37 0.44 -1.65 0.00 0.00 177.43 177.08 1n0f h ASP 121 N -0.36 -1.22 -3.53 5.81 3.32 -0.55 -3.32 116.42 116.57 1n0f h ASP 121 Ca -0.14 0.15 -0.52 0.00 0.02 0.00 0.00 57.03 56.54 1n0f h ASP 121 Cb 1.65 0.49 -0.03 0.00 0.22 0.00 0.00 39.33 41.66 1n0f h ASP 121 CO 0.15 -0.30 0.30 0.00 -1.72 0.00 0.00 179.24 177.67 1n0f s ALA 122 N -5.01 3.29 -0.67 3.45 0.00 -1.02 -4.89 121.76 116.92 1n0f s ALA 122 Ca -0.10 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1n0f s ALA 122 Cb 0.05 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1n0f s ALA 122 CO 0.41 0.02 2.57 1.63 0.00 0.00 0.00 175.76 180.39 1n0f n LYS 123 N 2.69 2.15 -1.79 0.00 4.76 -1.25 -4.61 118.16 120.11 1n0f n LYS 123 Ca 0.00 -1.29 -0.41 0.00 -2.87 0.00 0.00 58.31 53.74 1n0f n LYS 123 Cb 0.49 -2.27 0.01 0.00 -1.84 0.00 0.00 35.03 31.42 1n0f n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n0f s LEU 124 N 0.07 4.25 0.29 -0.35 1.02 -0.69 -4.86 118.68 118.42 1n0f s LEU 124 Ca 0.50 3.03 0.00 0.00 0.02 0.00 0.00 54.13 57.68 1n0f s LEU 124 Cb 0.17 -3.75 0.00 0.00 0.02 0.00 0.00 46.19 42.63 1n0f s LEU 124 CO -0.02 -0.98 0.00 -0.67 0.02 0.00 0.00 176.35 174.69 1n0f n ASP 125 N 0.24 -1.41 -3.38 2.29 2.03 -1.26 -4.80 116.55 110.26 1n0f n ASP 125 Ca 0.02 0.53 0.03 0.00 0.52 0.00 0.00 54.79 55.90 1n0f n ASP 125 Cb 0.40 1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 42.22 1n0f n ASP 125 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1n0f s LYS 126 N -1.78 0.01 0.00 -0.67 2.20 -1.26 -4.79 119.74 113.46 1n0f s LYS 126 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1n0f s LYS 126 Cb 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1n0f s LYS 126 CO 0.00 -0.00 0.00 0.39 -0.36 0.00 0.00 175.35 175.38 1n0f n GLU 127 N 3.86 0.00 -4.09 4.03 1.02 -1.25 -4.89 120.64 119.31 1n0f n GLU 127 Ca -0.11 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 1n0f n GLU 127 Cb 0.56 -0.06 -0.04 0.00 -0.02 0.00 0.00 31.44 31.87 1n0f n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n0f s ILE 128 N -0.02 4.58 -0.07 -3.67 -1.09 0.24 -1.81 121.20 119.35 1n0f s ILE 128 Ca 0.00 -1.30 0.01 0.00 -2.23 0.00 0.00 60.65 57.13 1n0f s ILE 128 Cb 0.00 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1n0f s ILE 128 CO 0.00 -0.32 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.61 1n0f s VAL 129 N -2.07 0.93 -0.20 2.92 1.01 -0.49 -0.90 120.40 121.59 1n0f s VAL 129 Ca 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1n0f s VAL 129 Cb -0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1n0f s VAL 129 CO 0.25 0.32 -0.04 -0.76 0.00 0.00 0.00 175.10 174.87 1n0f s LEU 130 N 1.03 2.96 -0.05 3.92 1.43 0.85 0.13 118.68 128.94 1n0f s LEU 130 Ca -0.08 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1n0f s LEU 130 Cb -0.15 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1n0f s LEU 130 CO -0.00 0.02 -0.21 0.27 0.23 0.00 0.00 176.35 176.66 1n0f s ILE 131 N 1.22 2.44 0.11 -0.59 -4.36 -0.74 0.09 121.20 119.37 1n0f s ILE 131 Ca 0.03 -0.94 -0.30 0.00 -0.26 0.00 0.00 60.65 59.18 1n0f s ILE 131 Cb -0.14 -1.91 -0.06 0.00 1.25 0.00 0.00 42.46 41.59 1n0f s ILE 131 CO -0.01 0.57 0.98 -0.83 0.24 0.00 0.00 174.94 175.89 1n0f s GLY 132 N -0.37 2.98 -0.19 6.27 0.00 0.21 -1.45 107.32 114.76 1n0f s GLY 132 Ca 0.03 0.60 0.13 0.00 0.00 0.00 0.00 44.72 45.48 1n0f s GLY 132 CO 0.02 1.50 1.21 -1.06 0.00 0.00 0.00 173.10 174.77 1n0f n GLN 133 N 2.86 1.53 0.00 2.90 1.13 0.61 -4.35 117.38 122.06 1n0f n GLN 133 Ca 0.03 -3.19 0.00 0.00 -1.94 0.00 0.00 57.00 51.90 1n0f n GLN 133 Cb 0.49 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.40 1n0f n GLN 133 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1n0f n PHE 134 N -0.84 0.00 -0.03 1.08 7.35 0.78 -3.52 117.46 122.28 1n0f n PHE 134 Ca 0.19 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.73 1n0f n PHE 134 Cb 0.78 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.52 1n0f n PHE 134 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1n0f h ASP 135 N 0.00 0.43 -2.47 -2.13 3.32 -1.94 -2.95 116.42 110.68 1n0f h ASP 135 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 57.03 56.31 1n0f h ASP 135 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1n0f h ASP 135 CO 0.00 1.03 -0.07 0.00 -1.72 0.00 0.00 179.24 178.48 1n0f n HIS 136 N -4.38 -0.10 -4.81 4.55 1.44 -1.23 -4.79 115.22 105.89 1n0f n HIS 136 Ca -0.09 -0.41 -0.28 0.00 -2.01 0.00 0.00 57.72 54.93 1n0f n HIS 136 Cb 0.53 0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.54 1n0f n HIS 136 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1n0f s LEU 137 N 0.00 2.16 -0.06 2.39 2.96 -0.25 -0.28 118.68 125.60 1n0f s LEU 137 Ca 0.06 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1n0f s LEU 137 Cb 0.00 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1n0f s LEU 137 CO 0.04 0.22 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.45 1n0f s GLU 138 N -1.18 2.58 -0.31 1.98 2.02 -0.53 0.73 118.70 124.00 1n0f s GLU 138 Ca 0.10 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.13 1n0f s GLU 138 Cb -0.09 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1n0f s GLU 138 CO 0.02 0.40 0.11 0.42 0.02 0.00 0.00 175.26 176.23 1n0f s ILE 139 N -0.20 4.22 0.34 -1.63 1.01 -0.06 -1.79 121.20 123.10 1n0f s ILE 139 Ca -0.02 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.09 1n0f s ILE 139 Cb -0.13 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1n0f s ILE 139 CO 0.03 0.05 0.08 0.26 0.00 0.00 0.00 174.94 175.35 1n0f s TRP 140 N 1.54 2.62 -0.16 3.97 0.52 0.12 -4.20 118.94 123.35 1n0f s TRP 140 Ca 0.03 -0.42 -0.21 0.00 0.02 0.00 0.00 56.10 55.52 1n0f s TRP 140 Cb -0.17 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1n0f s TRP 140 CO 0.04 0.41 0.64 0.34 0.02 0.00 0.00 176.95 178.40 1n0f s ASP 141 N -3.78 6.76 0.23 2.95 2.15 -1.26 -1.40 116.67 122.32 1n0f s ASP 141 Ca 0.36 0.93 -0.13 0.00 0.43 0.00 0.00 52.55 54.14 1n0f s ASP 141 Cb -0.01 -2.36 0.28 0.00 -0.30 0.00 0.00 42.92 40.53 1n0f s ASP 141 CO 0.21 -0.22 1.60 0.50 -0.17 0.00 0.00 175.17 177.09 1n0f h LYS 142 N 7.23 -0.03 0.36 4.34 3.64 -1.65 -0.47 116.57 129.99 1n0f h LYS 142 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1n0f h LYS 142 Cb 1.16 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1n0f h LYS 142 CO 0.77 -0.02 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.50 1n0f h LYS 143 N -0.03 -0.52 -0.78 1.90 1.63 -1.93 -1.66 116.57 115.18 1n0f h LYS 143 Ca 0.34 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.29 1n0f h LYS 143 Cb 0.56 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 32.22 1n0f h LYS 143 CO -0.77 -0.35 0.41 -0.07 -3.45 0.00 0.00 179.45 175.22 1n0f h LEU 144 N -0.54 0.53 -0.24 5.20 4.07 -1.79 -0.44 115.31 122.11 1n0f h LEU 144 Ca -0.04 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1n0f h LEU 144 Cb 0.44 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1n0f h LEU 144 CO 0.04 0.27 0.12 0.22 -1.08 0.00 0.00 178.44 178.02 1n0f h TYR 145 N 0.65 0.33 -0.82 1.13 3.20 -0.94 0.83 116.97 121.35 1n0f h TYR 145 Ca 0.40 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.23 1n0f h TYR 145 Cb 0.46 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1n0f h TYR 145 CO -0.09 0.32 0.42 0.93 -1.64 0.00 0.00 178.16 178.10 1n0f h GLU 146 N 0.26 1.16 -0.40 1.82 5.08 -0.65 0.08 114.58 121.93 1n0f h GLU 146 Ca 0.08 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1n0f h GLU 146 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1n0f h GLU 146 CO -0.01 0.87 0.01 -0.44 -1.00 0.00 0.00 179.01 178.44 1n0f h ASP 147 N 1.16 0.68 -0.42 1.42 3.32 -0.81 0.32 116.42 122.09 1n0f h ASP 147 Ca 0.29 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 57.10 1n0f h ASP 147 Cb 0.07 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1n0f h ASP 147 CO -0.04 0.81 0.08 0.22 -1.72 0.00 0.00 179.24 178.59 1n0f h TYR 148 N 0.52 0.13 -0.54 4.55 3.20 -0.10 0.22 116.97 124.94 1n0f h TYR 148 Ca 0.11 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1n0f h TYR 148 Cb 0.46 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1n0f h TYR 148 CO 0.04 0.01 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.48 1n0f h LEU 149 N 0.21 0.91 -0.41 2.82 4.07 -0.73 -2.89 115.31 119.29 1n0f h LEU 149 Ca 0.20 -0.25 0.04 0.00 0.08 0.00 0.00 57.88 57.96 1n0f h LEU 149 Cb 0.25 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1n0f h LEU 149 CO -0.27 0.98 0.18 0.00 -1.08 0.00 0.00 178.44 178.25 1n0f h ALA 150 N 1.12 0.51 -3.00 1.53 0.00 0.12 -3.40 119.26 116.14 1n0f h ALA 150 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n0f h ALA 150 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n0f h ALA 150 CO 0.03 -0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.17 1n0f n ASN 151 N -4.96 0.00 -2.04 0.00 3.02 0.61 -4.97 115.26 106.92 1n0f n ASN 151 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1n0f n ASN 151 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1n0f n ASN 151 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n0f n SER 152 N 0.00 -9.13 -2.85 6.41 3.41 -1.23 -4.91 113.62 105.31 1n0f n SER 152 Ca 0.00 1.41 -0.05 0.00 -0.26 0.00 0.00 58.87 59.97 1n0f n SER 152 Cb 0.00 -5.14 0.04 0.00 -0.26 0.00 0.00 64.21 58.85 1n0f n SER 152 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n0f n GLU 153 N 1.39 -1.89 -1.46 4.33 1.02 -1.26 -4.99 120.64 117.78 1n0f n GLU 153 Ca 0.00 -0.27 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 1n0f n GLU 153 Cb 0.00 -0.29 0.07 0.00 -0.02 0.00 0.00 31.44 31.20 1n0f n GLU 153 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1n0f s SER 154 N -2.08 4.99 0.19 1.62 1.04 -1.26 -4.85 113.70 113.35 1n0f s SER 154 Ca 0.11 1.74 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 1n0f s SER 154 Cb -0.02 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.71 1n0f s SER 154 CO 0.09 -1.71 1.85 0.25 0.98 0.00 0.00 173.24 174.70 1n0f h LEU 155 N -0.81 0.77 -0.21 2.42 5.85 -1.98 0.81 115.31 122.15 1n0f h LEU 155 Ca -0.44 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 1n0f h LEU 155 Cb 1.22 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1n0f h LEU 155 CO 0.54 0.58 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.67 1n0f h GLU 156 N 0.89 0.53 -0.57 1.25 3.07 -1.98 -0.09 114.58 117.68 1n0f h GLU 156 Ca 0.24 -0.28 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1n0f h GLU 156 Cb -0.07 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1n0f h GLU 156 CO -0.05 0.87 0.35 1.15 -1.40 0.00 0.00 179.01 179.94 1n0f h THR 157 N 0.21 1.08 -0.21 1.13 2.02 -1.88 -1.17 112.91 114.09 1n0f h THR 157 Ca 0.03 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 1n0f h THR 157 Cb 0.78 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1n0f h THR 157 CO 0.06 0.13 -0.54 0.58 0.37 0.00 0.00 175.52 176.12 1n0f h VAL 158 N 0.70 1.31 -0.20 3.16 2.07 -0.79 -3.21 116.25 119.30 1n0f h VAL 158 Ca 0.23 -1.77 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 1n0f h VAL 158 Cb -0.00 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1n0f h VAL 158 CO -0.09 0.56 -0.41 0.00 0.02 0.00 0.00 177.57 177.65 1n0f h ALA 159 N 0.93 0.93 -0.40 1.67 0.00 -0.70 -3.15 119.26 118.53 1n0f h ALA 159 Ca 0.01 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1n0f h ALA 159 Cb 1.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1n0f h ALA 159 CO 0.10 0.63 0.28 1.49 0.00 0.00 0.00 179.25 181.76 1n0f h GLU 160 N 0.38 0.15 0.00 0.00 4.57 -1.22 -1.65 114.58 116.80 1n0f h GLU 160 Ca 0.03 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1n0f h GLU 160 Cb 0.88 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1n0f h GLU 160 CO 0.07 0.10 -0.08 0.00 -1.18 0.00 0.00 179.01 177.92 1n0f h ARG 161 N 0.15 0.00 0.00 1.92 3.08 -1.64 -3.52 114.38 114.37 1n0f h ARG 161 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1n0f h ARG 161 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1n0f h ARG 161 CO -0.03 0.05 0.00 -1.33 -1.07 0.00 0.00 179.97 177.59