#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 4.13 0.12 3.17 1.43 -1.06 -5.01 118.68 121.46 1n0f s LEU 27 Ca 0.00 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1n0f s LEU 27 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1n0f s LEU 27 CO 0.00 -0.25 -0.03 -0.76 0.23 0.00 0.00 176.35 175.54 1n0f s LEU 28 N 1.50 2.30 0.00 1.79 1.43 -1.26 0.86 118.68 125.30 1n0f s LEU 28 Ca 0.02 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1n0f s LEU 28 Cb -0.18 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1n0f s LEU 28 CO 0.04 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1n0f n GLY 29 N -0.08 0.71 3.47 -3.19 0.00 -1.26 -4.42 105.19 100.41 1n0f n GLY 29 Ca -0.10 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.37 2.97 0.00 2.61 2.01 -1.26 0.46 115.64 120.06 1n0f s THR 30 Ca 0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1n0f s THR 30 Cb 0.00 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1n0f s THR 30 CO 0.00 0.52 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 1n0f s PHE 31 N -0.79 0.27 -0.28 4.92 0.08 0.28 -4.97 117.98 117.49 1n0f s PHE 31 Ca 0.13 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 1n0f s PHE 31 Cb -0.11 -0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 1n0f s PHE 31 CO 0.02 -0.02 0.07 -0.80 -0.10 0.00 0.00 175.22 174.39 1n0f s ASN 32 N -0.24 5.04 0.37 1.36 0.01 -1.26 -0.65 114.94 119.58 1n0f s ASN 32 Ca -0.01 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 1n0f s ASN 32 Cb -0.02 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1n0f s ASN 32 CO -0.00 -0.15 0.17 0.27 -1.51 0.00 0.00 177.10 175.88 1n0f s ILE 33 N 1.52 0.42 -0.03 0.60 -4.36 -0.28 -5.00 121.20 114.06 1n0f s ILE 33 Ca 0.03 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 1n0f s ILE 33 Cb -0.17 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 1n0f s ILE 33 CO 0.02 0.00 -0.22 -0.89 0.24 0.00 0.00 174.94 174.09 1n0f s THR 34 N -3.34 1.73 -0.13 8.37 2.01 -1.26 -0.05 115.64 122.96 1n0f s THR 34 Ca 0.30 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1n0f s THR 34 Cb 0.03 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1n0f s THR 34 CO 0.18 0.49 1.28 -0.22 -0.69 0.00 0.00 174.62 175.66 1n0f s LEU 35 N -0.36 4.21 0.87 4.42 0.20 -1.26 -4.73 118.68 122.03 1n0f s LEU 35 Ca 0.04 1.76 -0.13 0.00 0.69 0.00 0.00 54.13 56.49 1n0f s LEU 35 Cb -0.10 -3.54 0.12 0.00 -0.43 0.00 0.00 46.19 42.24 1n0f s LEU 35 CO 0.00 -0.74 1.22 1.51 -0.29 0.00 0.00 176.35 178.05 1n0f s ASP 36 N 1.99 3.99 0.63 3.68 3.84 -0.37 -4.75 116.67 125.68 1n0f s ASP 36 Ca 0.56 0.63 0.31 0.00 -0.00 0.00 0.00 52.55 54.06 1n0f s ASP 36 Cb -0.23 -0.98 1.73 0.00 -1.38 0.00 0.00 42.92 42.05 1n0f s ASP 36 CO 0.17 -2.22 2.04 0.00 -0.00 0.00 0.00 175.17 175.16 1n0f h ALA 37 N -1.28 1.59 -0.60 2.11 0.00 -1.95 -0.31 119.26 118.82 1n0f h ALA 37 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n0f h ALA 37 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n0f h ALA 37 CO 0.57 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1n0f n LYS 38 N -3.36 4.29 -2.07 0.00 5.02 -1.26 -4.92 118.16 115.86 1n0f n LYS 38 Ca 0.01 -2.96 -0.15 0.00 -2.02 0.00 0.00 58.31 53.18 1n0f n LYS 38 Cb 0.37 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.86 -4.67 -4.90 4.39 5.03 -0.13 -4.81 115.26 111.03 1n0f n ASN 39 Ca 0.26 0.09 -0.21 0.00 0.87 0.00 0.00 54.58 55.59 1n0f n ASN 39 Cb 1.04 -3.73 -0.03 0.00 -1.02 0.00 0.00 39.78 36.05 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 -4.38 3.01 -0.01 3.52 0.52 -1.25 -1.71 118.95 118.64 1n0f s ARG 40 Ca 0.00 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1n0f s ARG 40 Cb 0.00 -2.66 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 1n0f s ARG 40 CO 0.00 0.23 -0.10 0.42 0.02 0.00 0.00 175.30 175.87 1n0f s ILE 41 N -2.17 0.80 -0.24 1.52 1.01 -0.66 -1.23 121.20 120.23 1n0f s ILE 41 Ca 0.39 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1n0f s ILE 41 Cb -0.08 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1n0f s ILE 41 CO 0.28 0.23 0.19 -0.44 0.00 0.00 0.00 174.94 175.20 1n0f s SER 42 N -0.12 6.14 0.14 3.58 0.01 -1.26 -0.19 113.70 122.00 1n0f s SER 42 Ca 0.02 0.15 -0.31 0.00 1.31 0.00 0.00 55.95 57.12 1n0f s SER 42 Cb -0.05 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 1n0f s SER 42 CO -0.00 0.04 1.36 -0.76 0.41 0.00 0.00 173.24 174.28 1n0f s LEU 43 N 1.16 4.38 0.00 2.44 1.43 0.11 -4.87 118.68 123.33 1n0f s LEU 43 Ca 0.09 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1n0f s LEU 43 Cb -0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1n0f s LEU 43 CO 0.05 -0.61 0.00 -2.65 0.23 0.00 0.00 176.35 173.38 1n0f n PRO 44 N 3.57 0.00 0.00 1.29 -0.02 -1.26 -4.57 135.00 134.01 1n0f n PRO 44 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1n0f n PRO 44 Cb 0.43 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 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 0.11 0.00 0.46 3.55 0.00 -1.26 -4.05 120.51 119.32 1n0f n ALA 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1n0f n ALA 45 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.13 -0.71 0.00 1.57 -2.03 -3.07 116.57 111.20 1n0f h LYS 46 Ca 0.00 0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1n0f h LYS 46 Cb 0.00 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1n0f h LYS 46 CO 0.00 -0.75 0.37 -0.07 -0.57 0.00 0.00 179.45 178.43 1n0f h LEU 47 N -1.17 0.91 -1.60 2.94 4.07 -1.91 -3.11 115.31 115.45 1n0f h LEU 47 Ca -0.12 -0.12 0.35 0.00 0.08 0.00 0.00 57.88 58.08 1n0f h LEU 47 Cb 0.90 -0.23 -0.09 0.00 1.08 0.00 0.00 40.66 42.32 1n0f h LEU 47 CO 0.18 0.77 0.81 -0.09 -1.08 0.00 0.00 178.44 179.03 1n0f h ARG 48 N 0.99 0.18 0.34 1.13 2.43 -1.78 -1.14 114.38 116.53 1n0f h ARG 48 Ca 0.25 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1n0f h ARG 48 Cb 0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1n0f h ARG 48 CO -0.04 0.12 -0.47 0.00 -1.51 0.00 0.00 179.97 178.08 1n0f h ALA 49 N 1.52 -0.97 -0.87 2.80 0.00 -1.51 -2.93 119.26 117.30 1n0f h ALA 49 Ca 0.66 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.65 1n0f h ALA 49 Cb 2.12 0.71 -0.16 0.00 0.00 0.00 0.00 17.79 20.46 1n0f h ALA 49 CO -0.22 -1.10 0.02 0.35 0.00 0.00 0.00 179.25 178.30 1n0f h PHE 50 N -0.85 -0.04 -3.36 0.00 3.57 -1.39 -3.39 116.94 111.47 1n0f h PHE 50 Ca -0.03 0.06 -0.56 0.00 3.53 0.00 0.00 57.97 60.97 1n0f h PHE 50 Cb 0.78 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1n0f h PHE 50 CO -0.30 -0.32 0.09 -0.06 -2.23 0.00 0.00 178.31 175.49 1n0f s PHE 51 N -6.07 3.56 0.00 0.41 0.08 -1.11 -5.01 117.98 109.85 1n0f s PHE 51 Ca -0.13 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1n0f s PHE 51 Cb 0.26 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1n0f s PHE 51 CO 0.77 0.07 0.00 0.39 -0.10 0.00 0.00 175.22 176.35 1n0f n GLU 52 N 3.87 1.61 0.19 0.44 1.02 -1.26 -4.90 120.64 121.62 1n0f n GLU 52 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.20 1n0f n GLU 52 Cb 0.51 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.23 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 0.00 -3.03 0.62 0.00 -1.97 -3.45 103.07 95.25 1n0f h GLY 53 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1n0f h GLY 53 CO 0.00 0.00 -0.33 -1.35 0.00 0.00 0.00 176.54 174.86 1n0f s SER 54 N -6.30 0.06 0.22 0.19 1.04 -1.26 -0.07 113.70 107.59 1n0f s SER 54 Ca 0.02 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1n0f s SER 54 Cb 0.09 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1n0f s SER 54 CO 0.68 -0.79 0.08 0.27 0.98 0.00 0.00 173.24 174.46 1n0f s ILE 55 N -3.89 0.48 -0.14 -1.02 -5.25 -0.23 -4.37 121.20 106.78 1n0f s ILE 55 Ca 0.08 -1.99 -0.02 0.00 -0.99 0.00 0.00 60.65 57.73 1n0f s ILE 55 Cb 0.04 -2.47 -0.02 0.00 2.95 0.00 0.00 42.46 42.96 1n0f s ILE 55 CO -0.08 -0.13 -0.08 -0.69 -1.79 0.00 0.00 174.94 172.17 1n0f s VAL 56 N -3.81 3.55 -0.20 8.37 1.01 -0.37 0.22 120.40 129.17 1n0f s VAL 56 Ca 0.34 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1n0f s VAL 56 Cb 0.07 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 1n0f s VAL 56 CO 0.11 0.51 -0.31 0.00 0.00 0.00 0.00 175.10 175.40 1n0f n ILE 57 N 3.44 1.41 -1.00 2.22 3.06 -1.26 -1.79 119.36 125.43 1n0f n ILE 57 Ca -0.18 -0.11 0.03 0.00 -2.50 0.00 0.00 62.75 59.99 1n0f n ILE 57 Cb 0.53 -2.03 -0.01 0.00 0.54 0.00 0.00 39.64 38.66 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 -4.22 -2.54 -4.75 9.51 0.23 -1.24 -2.94 115.26 109.32 1n0f n ASN 58 Ca -0.32 0.52 -0.39 0.00 -0.53 0.00 0.00 54.58 53.86 1n0f n ASN 58 Cb 0.67 -2.62 -0.05 0.00 -2.08 0.00 0.00 39.78 35.70 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 -4.62 4.37 0.00 -3.83 1.70 -1.26 -1.40 118.95 113.92 1n0f s ARG 59 Ca 0.00 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.07 1n0f s ARG 59 Cb 0.00 -3.37 0.00 0.00 -0.57 0.00 0.00 34.95 31.01 1n0f s ARG 59 CO 0.00 0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.93 1n0f n GLY 60 N 2.57 1.16 3.90 3.88 0.00 -1.26 -4.74 105.19 110.69 1n0f n GLY 60 Ca -0.05 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 0.96 3.53 -1.03 1.61 0.08 -1.26 -4.19 117.98 117.68 1n0f s PHE 61 Ca 0.00 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.55 1n0f s PHE 61 Cb 0.00 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1n0f s PHE 61 CO 0.00 0.54 0.00 0.39 -0.10 0.00 0.00 175.22 176.05 1n0f n GLU 62 N 0.57 -0.87 -2.75 0.44 4.71 -1.26 -3.83 120.64 117.65 1n0f n GLU 62 Ca -0.07 0.65 -0.10 0.00 -0.01 0.00 0.00 57.16 57.63 1n0f n GLU 62 Cb 0.52 -4.73 0.05 0.00 -1.01 0.00 0.00 31.44 26.26 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 -0.07 -3.01 0.00 1.62 3.02 -1.26 -5.02 115.26 110.54 1n0f n ASN 63 Ca -0.13 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1n0f n ASN 63 Cb 0.54 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 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 -0.87 -5.33 -4.60 0.00 4.32 -1.26 -2.24 117.00 107.02 1n0f n LEU 65 Ca 0.00 2.63 -0.30 0.00 -0.02 0.00 0.00 56.01 58.32 1n0f n LEU 65 Cb 0.00 -2.64 -0.09 0.00 -1.62 0.00 0.00 43.42 39.06 1n0f n LEU 65 CO 0.00 -1.22 -0.40 -1.61 -1.22 0.00 0.00 177.39 172.93 1n0f s GLU 66 N -1.41 2.21 -0.03 3.23 2.02 -0.49 -1.29 118.70 122.94 1n0f s GLU 66 Ca 0.00 -0.99 0.05 0.00 0.02 0.00 0.00 54.97 54.05 1n0f s GLU 66 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 1n0f s GLU 66 CO 0.00 0.51 -0.18 0.08 0.02 0.00 0.00 175.26 175.69 1n0f s VAL 67 N -1.24 1.46 0.06 2.63 1.01 -0.21 -4.19 120.40 119.92 1n0f s VAL 67 Ca 0.22 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1n0f s VAL 67 Cb -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1n0f s VAL 67 CO 0.15 0.42 0.20 -0.13 0.00 0.00 0.00 175.10 175.73 1n0f s ARG 68 N -0.18 0.76 0.54 2.72 0.52 -0.74 -1.05 118.95 121.51 1n0f s ARG 68 Ca 0.01 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.28 1n0f s ARG 68 Cb -0.10 0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.63 1n0f s ARG 68 CO 0.01 -0.23 1.10 0.15 0.02 0.00 0.00 175.30 176.34 1n0f s LYS 69 N -3.08 3.45 0.25 3.54 1.02 -1.26 -1.24 119.74 122.42 1n0f s LYS 69 Ca -0.01 1.49 -0.04 0.00 0.02 0.00 0.00 55.97 57.43 1n0f s LYS 69 Cb 0.01 -2.03 0.36 0.00 -0.52 0.00 0.00 37.83 35.65 1n0f s LYS 69 CO -0.07 -0.75 1.85 -1.35 -0.92 0.00 0.00 175.35 174.12 1n0f h PRO 70 N 1.17 0.97 -0.72 -1.68 0.11 -1.91 0.31 132.00 130.25 1n0f h PRO 70 Ca -0.49 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.64 1n0f h PRO 70 Cb 1.25 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 1n0f h PRO 70 CO 0.57 0.64 0.39 1.96 -0.21 0.00 0.00 178.00 181.35 1n0f h GLN 71 N 1.00 0.66 -0.17 1.05 7.50 -1.96 0.13 115.11 123.33 1n0f h GLN 71 Ca 0.39 -0.04 -0.13 0.00 0.50 0.00 0.00 58.65 59.37 1n0f h GLN 71 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1n0f h GLN 71 CO -0.18 0.44 -0.46 -0.44 -1.50 0.00 0.00 178.83 176.68 1n0f h ASP 72 N 0.68 0.46 -0.78 1.46 3.32 -1.57 -2.42 116.42 117.57 1n0f h ASP 72 Ca 0.34 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1n0f h ASP 72 Cb 0.30 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1n0f h ASP 72 CO -0.23 0.86 0.46 0.15 -1.72 0.00 0.00 179.24 178.76 1n0f h PHE 73 N 0.34 1.03 -0.41 4.55 3.57 0.55 0.13 116.94 126.70 1n0f h PHE 73 Ca 0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1n0f h PHE 73 Cb 0.95 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1n0f h PHE 73 CO 0.03 0.70 0.17 0.37 -2.23 0.00 0.00 178.31 177.35 1n0f h GLN 74 N 1.07 0.34 -0.16 1.11 5.75 -0.49 -1.88 115.11 120.84 1n0f h GLN 74 Ca 0.28 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1n0f h GLN 74 Cb -0.03 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1n0f h GLN 74 CO -0.05 0.23 -0.45 0.87 -2.65 0.00 0.00 178.83 176.78 1n0f h LYS 75 N 0.35 0.38 -0.05 1.69 1.57 -0.90 -2.96 116.57 116.65 1n0f h LYS 75 Ca 0.19 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1n0f h LYS 75 Cb 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n0f h LYS 75 CO -0.17 0.76 0.03 -0.92 -0.57 0.00 0.00 179.45 178.58 1n0f h TYR 76 N 0.31 0.07 -0.56 -1.35 3.20 -0.63 -3.04 116.97 114.96 1n0f h TYR 76 Ca 0.02 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1n0f h TYR 76 Cb 0.91 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 1n0f h TYR 76 CO 0.03 0.10 0.10 0.35 -1.64 0.00 0.00 178.16 177.09 1n0f h PHE 77 N 0.02 0.15 -0.81 -3.82 3.57 -1.26 -0.87 116.94 113.92 1n0f h PHE 77 Ca 0.02 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.71 1n0f h PHE 77 Cb 0.05 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1n0f h PHE 77 CO -0.06 -0.04 0.54 0.93 -2.23 0.00 0.00 178.31 177.45 1n0f h GLU 78 N 0.23 0.44 0.00 1.11 5.08 -1.41 0.48 114.58 120.52 1n0f h GLU 78 Ca 0.29 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1n0f h GLU 78 Cb 0.43 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1n0f h GLU 78 CO -0.39 0.29 0.00 1.04 -1.00 0.00 0.00 179.01 178.95 1n0f n GLN 79 N -4.50 0.01 -0.10 2.33 6.02 -0.33 -1.75 117.38 119.06 1n0f n GLN 79 Ca 0.16 0.43 -0.23 0.00 -0.01 0.00 0.00 57.00 57.35 1n0f n GLN 79 Cb 0.56 -1.52 -0.12 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.53 0.41 0.10 1.08 3.72 0.17 -4.13 117.46 117.29 1n0f n PHE 80 Ca 0.01 0.13 0.04 0.00 -0.05 0.00 0.00 57.45 57.57 1n0f n PHE 80 Cb 0.05 -1.05 0.20 0.00 -0.94 0.00 0.00 39.48 37.74 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 -3.83 0.19 -0.16 4.37 4.13 -0.72 0.19 115.26 119.42 1n0f n ASN 81 Ca -0.44 0.42 0.01 0.00 1.68 0.00 0.00 54.58 56.26 1n0f n ASN 81 Cb 0.91 -0.38 0.04 0.00 -1.54 0.00 0.00 39.78 38.82 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 -1.73 0.48 -4.59 6.41 3.41 -1.20 -4.74 113.62 111.66 1n0f n SER 82 Ca -0.00 -2.00 -0.34 0.00 -0.26 0.00 0.00 58.87 56.26 1n0f n SER 82 Cb 0.32 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.88 3.11 0.00 7.33 0.08 0.50 -5.05 117.98 122.06 1n0f s PHE 83 Ca 0.06 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1n0f s PHE 83 Cb 0.03 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1n0f s PHE 83 CO 0.04 0.20 0.00 -2.30 -0.10 0.00 0.00 175.22 173.07 1n0f n PRO 84 N 2.94 0.00 0.00 0.24 -0.02 -1.26 -4.80 135.00 132.10 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 -1.60 0.00 0.01 2.55 2.88 -1.26 -4.63 113.62 111.57 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 0.31 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.79 0.07 -3.07 2.46 -2.24 -1.26 -4.76 114.28 104.69 1n0f n THR 86 Ca 0.00 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1n0f n THR 86 Cb 0.00 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.03 4.33 0.19 -0.78 -1.52 -1.26 -4.99 119.66 112.60 1n0f s GLN 87 Ca 0.11 0.77 -0.16 0.00 -1.95 0.00 0.00 55.36 54.12 1n0f s GLN 87 Cb 0.17 -3.51 0.16 0.00 -0.22 0.00 0.00 33.01 29.61 1n0f s GLN 87 CO 0.67 -0.10 1.63 -0.22 -0.25 0.00 0.00 175.29 177.03 1n0f h LYS 88 N 7.10 -0.05 -0.89 2.91 3.64 -2.01 -1.40 116.57 125.87 1n0f h LYS 88 Ca -0.36 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1n0f h LYS 88 Cb 1.17 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1n0f h LYS 88 CO 0.77 -0.04 0.58 -0.44 -2.27 0.00 0.00 179.45 178.06 1n0f h ASP 89 N -0.05 0.96 -0.90 4.20 3.32 -1.98 -1.53 116.42 120.43 1n0f h ASP 89 Ca 0.25 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.35 1n0f h ASP 89 Cb 0.43 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1n0f h ASP 89 CO -0.56 0.67 0.57 0.74 -1.72 0.00 0.00 179.24 178.93 1n0f h THR 90 N 1.12 1.06 -0.35 0.35 2.02 -1.64 0.74 112.91 116.21 1n0f h THR 90 Ca 0.35 -0.35 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1n0f h THR 90 Cb -0.00 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1n0f h THR 90 CO -0.10 0.19 -0.39 0.03 0.37 0.00 0.00 175.52 175.62 1n0f h ARG 91 N 1.03 0.83 -0.34 6.66 3.08 -1.11 -0.39 114.38 124.15 1n0f h ARG 91 Ca 0.39 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1n0f h ARG 91 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1n0f h ARG 91 CO -0.17 1.07 0.12 1.15 -1.07 0.00 0.00 179.97 181.07 1n0f h THR 92 N 0.68 1.20 0.15 2.04 2.02 -0.62 0.17 112.91 118.55 1n0f h THR 92 Ca 0.06 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1n0f h THR 92 Cb 0.96 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1n0f h THR 92 CO 0.09 0.22 -0.17 0.25 0.37 0.00 0.00 175.52 176.27 1n0f h LEU 93 N 0.40 -0.46 -1.11 2.58 5.85 -0.77 0.21 115.31 122.01 1n0f h LEU 93 Ca 0.11 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1n0f h LEU 93 Cb 0.22 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1n0f h LEU 93 CO -0.01 -0.25 0.39 0.11 -0.34 0.00 0.00 178.44 178.34 1n0f h LYS 94 N -0.36 1.01 -0.06 1.25 1.57 -0.92 -1.30 116.57 117.76 1n0f h LYS 94 Ca 0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1n0f h LYS 94 Cb 0.35 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n0f h LYS 94 CO -0.06 0.75 -0.01 0.00 -0.57 0.00 0.00 179.45 179.56 1n0f h ARG 95 N 1.02 0.12 -0.76 3.15 3.08 -0.17 -1.52 114.38 119.29 1n0f h ARG 95 Ca 0.26 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.29 1n0f h ARG 95 Cb 0.04 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1n0f h ARG 95 CO -0.04 0.43 0.50 -0.07 -1.07 0.00 0.00 179.97 179.72 1n0f h LEU 96 N -0.21 0.83 0.00 3.04 3.38 -0.39 -2.97 115.31 118.99 1n0f h LEU 96 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n0f h LEU 96 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n0f h LEU 96 CO 0.01 0.58 -0.00 0.40 0.09 0.00 0.00 178.44 179.52 1n0f h ILE 97 N 0.97 0.00 0.00 1.22 2.04 -1.09 -3.39 117.51 117.26 1n0f h ILE 97 Ca 0.29 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1n0f h ILE 97 Cb -0.02 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1n0f h ILE 97 CO -0.08 0.00 -0.01 -0.26 0.00 0.00 0.00 178.15 177.80 1n0f h PHE 98 N -0.00 0.00 -0.00 1.37 0.04 -1.41 -1.68 116.94 115.25 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 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1n0f h PHE 98 CO 0.03 0.01 -0.01 0.00 -0.60 0.00 0.00 178.31 177.74 1n0f n ALA 99 N -2.12 2.37 0.16 2.45 0.00 -1.12 -3.08 120.51 119.17 1n0f n ALA 99 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.35 1n0f n ALA 99 Cb 0.14 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.47 1.93 -4.82 0.00 3.02 -0.65 -5.00 115.26 108.26 1n0f n ASN 100 Ca 0.08 -1.53 -0.33 0.00 -0.03 0.00 0.00 54.58 52.77 1n0f n ASN 100 Cb 0.33 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.73 2.98 0.00 5.41 0.00 -1.11 -3.59 121.76 124.72 1n0f s ALA 101 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1n0f s ALA 101 Cb 0.07 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1n0f s ALA 101 CO 0.09 -0.23 0.00 0.09 0.00 0.00 0.00 175.76 175.72 1n0f n ASN 102 N -1.26 1.22 -2.22 0.00 5.03 -1.26 -4.72 115.26 112.04 1n0f n ASN 102 Ca 0.07 -0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.49 1n0f n ASN 102 Cb 0.54 0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 39.52 1n0f n ASN 102 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1n0f n PHE 103 N -0.37 -3.31 -4.22 3.10 3.72 -1.23 -4.85 117.46 110.29 1n0f n PHE 103 Ca 0.00 1.94 -0.18 0.00 -0.05 0.00 0.00 57.45 59.16 1n0f n PHE 103 Cb 0.00 -3.28 -0.11 0.00 -0.94 0.00 0.00 39.48 35.15 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 -0.47 1.28 -0.03 -4.37 1.01 0.13 -4.94 120.40 113.01 1n0f s VAL 104 Ca -0.17 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 1n0f s VAL 104 Cb 0.01 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1n0f s VAL 104 CO 0.46 -0.35 0.28 -1.81 0.00 0.00 0.00 175.10 173.68 1n0f s ASP 105 N -2.22 6.56 -0.12 3.32 1.01 -1.26 -1.07 116.67 122.89 1n0f s ASP 105 Ca 0.06 0.67 -0.22 0.00 0.71 0.00 0.00 52.55 53.76 1n0f s ASP 105 Cb -0.07 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1n0f s ASP 105 CO 0.03 0.32 0.67 -0.69 0.21 0.00 0.00 175.17 175.70 1n0f s VAL 106 N -1.16 5.04 0.82 -1.27 1.01 0.90 -4.54 120.40 121.20 1n0f s VAL 106 Ca 0.23 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1n0f s VAL 106 Cb -0.14 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1n0f s VAL 106 CO 0.12 0.20 1.19 1.51 0.00 0.00 0.00 175.10 178.11 1n0f s ASP 107 N 0.92 4.39 0.26 3.32 3.84 -0.14 -4.82 116.67 124.45 1n0f s ASP 107 Ca 0.34 0.73 -0.02 0.00 -0.00 0.00 0.00 52.55 53.60 1n0f s ASP 107 Cb -0.17 -1.18 0.56 0.00 -1.38 0.00 0.00 42.92 40.75 1n0f s ASP 107 CO 0.14 -1.97 1.69 0.71 -0.00 0.00 0.00 175.17 175.74 1n0f h THR 108 N -1.10 0.51 0.00 2.11 1.35 -1.97 0.65 112.91 114.46 1n0f h THR 108 Ca -0.46 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1n0f h THR 108 Cb 1.32 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1n0f h THR 108 CO 0.63 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1n0f n ALA 109 N -2.60 2.09 -1.34 6.62 0.00 -1.26 -4.83 120.51 119.19 1n0f n ALA 109 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1n0f n ALA 109 Cb 0.53 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.03 0.50 3.91 0.00 0.00 0.23 -4.74 105.19 105.11 1n0f n GLY 110 Ca 0.09 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.74 3.48 -0.17 1.61 3.00 -1.25 0.05 118.95 122.94 1n0f s ARG 111 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 55.73 55.41 1n0f s ARG 111 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 34.95 31.96 1n0f s ARG 111 CO 0.00 0.59 -0.18 0.08 0.00 0.00 0.00 175.30 175.79 1n0f s VAL 112 N -1.50 1.91 -0.33 3.52 1.01 0.74 -0.97 120.40 124.78 1n0f s VAL 112 Ca 0.35 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1n0f s VAL 112 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1n0f s VAL 112 CO 0.25 0.52 0.97 -0.22 0.00 0.00 0.00 175.10 176.62 1n0f s LEU 113 N 1.30 3.98 -0.07 3.92 0.20 -1.26 -1.65 118.68 125.10 1n0f s LEU 113 Ca 0.04 0.83 -0.27 0.00 0.69 0.00 0.00 54.13 55.42 1n0f s LEU 113 Cb -0.13 -3.36 -0.03 0.00 -0.43 0.00 0.00 46.19 42.24 1n0f s LEU 113 CO -0.11 -0.82 0.87 -0.63 -0.29 0.00 0.00 176.35 175.38 1n0f s ILE 114 N 3.45 4.91 0.37 6.68 1.01 -0.69 -4.96 121.20 131.97 1n0f s ILE 114 Ca 0.40 1.79 -0.27 0.00 0.00 0.00 0.00 60.65 62.58 1n0f s ILE 114 Cb -0.12 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 1n0f s ILE 114 CO 0.16 0.14 1.23 -2.65 0.00 0.00 0.00 174.94 173.81 1n0f n PRO 115 N 4.31 1.91 -0.36 2.79 -0.02 -1.26 -4.73 135.00 137.64 1n0f n PRO 115 Ca 0.04 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1n0f n PRO 115 Cb 0.50 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.23 -1.78 -0.45 2.55 2.35 -1.97 0.70 115.58 119.21 1n0f h ASN 116 Ca -0.46 0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1n0f h ASN 116 Cb 1.30 0.83 -0.02 0.00 0.05 0.00 0.00 38.32 40.48 1n0f h ASN 116 CO 0.61 -0.27 0.24 -0.55 -1.65 0.00 0.00 177.43 175.81 1n0f h ASN 117 N -0.05 0.60 0.30 5.81 7.08 -2.00 -2.06 115.58 125.26 1n0f h ASN 117 Ca 0.23 -0.05 -0.17 0.00 -3.08 0.00 0.00 56.30 53.23 1n0f h ASN 117 Cb 0.51 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.59 1n0f h ASN 117 CO -0.91 0.50 -0.70 -0.07 -2.08 0.00 0.00 177.43 174.18 1n0f h LEU 118 N 0.67 0.41 -1.60 6.14 4.07 -1.41 0.24 115.31 123.84 1n0f h LEU 118 Ca 0.17 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1n0f h LEU 118 Cb 0.06 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1n0f h LEU 118 CO -0.03 0.98 0.28 0.40 -1.08 0.00 0.00 178.44 179.00 1n0f h ILE 119 N 0.25 1.09 0.10 1.22 1.08 -0.26 -2.59 117.51 118.40 1n0f h ILE 119 Ca -0.02 -0.19 -0.16 0.00 -0.39 0.00 0.00 64.86 64.10 1n0f h ILE 119 Cb 1.25 0.50 0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1n0f h ILE 119 CO 0.12 0.10 -0.77 0.78 -0.69 0.00 0.00 178.15 177.68 1n0f h ASN 120 N 0.54 0.32 -0.47 1.72 2.35 -1.18 -1.53 115.58 117.33 1n0f h ASN 120 Ca 0.16 -0.92 0.09 0.00 -0.55 0.00 0.00 56.30 55.08 1n0f h ASN 120 Cb -0.02 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.15 1n0f h ASN 120 CO -0.04 1.35 -0.28 0.44 -1.65 0.00 0.00 177.43 177.26 1n0f h ASP 121 N -0.54 -0.94 -3.31 5.81 3.32 -0.60 -3.27 116.42 116.89 1n0f h ASP 121 Ca -0.15 0.19 -0.57 0.00 0.02 0.00 0.00 57.03 56.52 1n0f h ASP 121 Cb 1.50 0.47 -0.05 0.00 0.22 0.00 0.00 39.33 41.47 1n0f h ASP 121 CO 0.08 -0.28 -0.01 0.00 -1.72 0.00 0.00 179.24 177.31 1n0f s ALA 122 N -6.06 3.48 -0.97 3.45 0.00 -1.01 -4.88 121.76 115.76 1n0f s ALA 122 Ca -0.15 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1n0f s ALA 122 Cb 0.15 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 1n0f s ALA 122 CO 0.69 0.15 2.32 1.63 0.00 0.00 0.00 175.76 180.55 1n0f n LYS 123 N 2.80 2.34 -1.92 0.00 4.76 -1.24 -4.61 118.16 120.29 1n0f n LYS 123 Ca -0.06 -1.53 -0.37 0.00 -2.87 0.00 0.00 58.31 53.48 1n0f n LYS 123 Cb 0.51 -2.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.28 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 0.10 3.70 0.27 -0.35 1.02 -0.57 -4.84 118.68 118.01 1n0f s LEU 124 Ca 0.46 2.51 0.00 0.00 0.02 0.00 0.00 54.13 57.12 1n0f s LEU 124 Cb 0.13 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.82 1n0f s LEU 124 CO -0.04 -1.64 0.00 -0.67 0.02 0.00 0.00 176.35 174.02 1n0f n ASP 125 N -1.48 -1.90 -3.52 2.29 2.03 -1.26 -4.83 116.55 107.87 1n0f n ASP 125 Ca 0.13 0.50 0.02 0.00 0.52 0.00 0.00 54.79 55.96 1n0f n ASP 125 Cb 0.48 1.94 -0.06 0.00 -0.72 0.00 0.00 41.12 42.76 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 -1.62 0.14 0.00 -0.67 2.20 -1.26 -4.79 119.74 113.75 1n0f s LYS 126 Ca 0.00 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1n0f s LYS 126 Cb 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1n0f s LYS 126 CO 0.00 -0.04 0.00 0.39 -0.36 0.00 0.00 175.35 175.34 1n0f n GLU 127 N 3.74 0.00 -4.10 4.03 1.02 -1.26 -4.86 120.64 119.21 1n0f n GLU 127 Ca -0.14 0.08 -0.28 0.00 -0.02 0.00 0.00 57.16 56.80 1n0f n GLU 127 Cb 0.56 -0.19 -0.06 0.00 -0.02 0.00 0.00 31.44 31.73 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 -0.04 4.31 -0.07 -3.67 -1.09 0.93 -1.63 121.20 119.94 1n0f s ILE 128 Ca 0.00 -1.05 0.03 0.00 -2.23 0.00 0.00 60.65 57.40 1n0f s ILE 128 Cb 0.00 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 1n0f s ILE 128 CO 0.00 -0.02 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.86 1n0f s VAL 129 N -1.60 1.26 -0.16 2.92 1.01 -0.62 -1.13 120.40 122.08 1n0f s VAL 129 Ca 0.29 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1n0f s VAL 129 Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1n0f s VAL 129 CO 0.22 0.38 -0.03 -0.76 0.00 0.00 0.00 175.10 174.90 1n0f s LEU 130 N 0.58 3.23 -0.04 3.92 1.43 0.18 -0.25 118.68 127.73 1n0f s LEU 130 Ca -0.14 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1n0f s LEU 130 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1n0f s LEU 130 CO 0.04 0.15 -0.22 0.27 0.23 0.00 0.00 176.35 176.82 1n0f s ILE 131 N 0.50 1.79 0.24 -0.59 -4.36 -0.57 -0.56 121.20 117.64 1n0f s ILE 131 Ca -0.03 -0.93 -0.30 0.00 -0.26 0.00 0.00 60.65 59.13 1n0f s ILE 131 Cb -0.14 -1.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.97 1n0f s ILE 131 CO 0.03 0.50 1.03 -0.83 0.24 0.00 0.00 174.94 175.91 1n0f s GLY 132 N -0.22 3.06 -0.15 6.27 0.00 0.17 -1.01 107.32 115.45 1n0f s GLY 132 Ca 0.00 0.76 0.15 0.00 0.00 0.00 0.00 44.72 45.63 1n0f s GLY 132 CO 0.02 1.40 1.19 -1.06 0.00 0.00 0.00 173.10 174.64 1n0f n GLN 133 N 1.54 1.15 0.00 2.90 1.13 0.37 -4.42 117.38 120.06 1n0f n GLN 133 Ca -0.01 -2.81 0.00 0.00 -1.94 0.00 0.00 57.00 52.24 1n0f n GLN 133 Cb 0.46 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.57 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 -0.82 0.00 -0.04 1.08 7.35 0.25 -3.74 117.46 121.55 1n0f n PHE 134 Ca 0.15 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.71 1n0f n PHE 134 Cb 0.77 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.51 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 0.24 -3.12 -2.13 3.32 -1.95 -2.80 116.42 109.98 1n0f h ASP 135 Ca 0.00 -0.52 -0.18 0.00 0.02 0.00 0.00 57.03 56.35 1n0f h ASP 135 Cb 0.00 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1n0f h ASP 135 CO 0.00 0.72 -0.17 0.00 -1.72 0.00 0.00 179.24 178.07 1n0f n HIS 136 N -4.64 -0.17 -4.35 4.55 1.44 -1.25 -4.77 115.22 106.03 1n0f n HIS 136 Ca -0.07 -0.98 -0.28 0.00 -2.01 0.00 0.00 57.72 54.38 1n0f n HIS 136 Cb 0.35 0.07 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 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 2.61 -0.03 2.39 2.96 -0.22 -0.48 118.68 125.91 1n0f s LEU 137 Ca 0.12 -0.69 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1n0f s LEU 137 Cb 0.01 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1n0f s LEU 137 CO 0.08 0.15 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.43 1n0f s GLU 138 N -2.43 1.97 -0.22 1.98 2.02 -0.18 -1.05 118.70 120.80 1n0f s GLU 138 Ca 0.20 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 1n0f s GLU 138 Cb -0.09 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 1n0f s GLU 138 CO 0.10 0.41 0.01 0.42 0.02 0.00 0.00 175.26 176.22 1n0f s ILE 139 N -0.32 3.89 0.37 -1.63 1.01 -0.42 -1.52 121.20 122.59 1n0f s ILE 139 Ca 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.41 1n0f s ILE 139 Cb -0.10 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 1n0f s ILE 139 CO 0.01 0.40 0.04 0.26 0.00 0.00 0.00 174.94 175.65 1n0f s TRP 140 N 1.29 2.19 -0.14 3.97 0.52 0.66 -4.17 118.94 123.26 1n0f s TRP 140 Ca 0.04 -0.85 -0.18 0.00 0.02 0.00 0.00 56.10 55.13 1n0f s TRP 140 Cb -0.15 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1n0f s TRP 140 CO 0.01 0.19 0.48 0.34 0.02 0.00 0.00 176.95 177.99 1n0f s ASP 141 N -3.59 6.65 0.25 2.95 2.15 -1.26 -1.59 116.67 122.23 1n0f s ASP 141 Ca 0.35 0.77 -0.03 0.00 0.43 0.00 0.00 52.55 54.06 1n0f s ASP 141 Cb 0.09 -2.29 0.52 0.00 -0.30 0.00 0.00 42.92 40.94 1n0f s ASP 141 CO 0.16 -0.05 1.69 0.50 -0.17 0.00 0.00 175.17 177.30 1n0f h LYS 142 N 6.92 0.29 -0.12 4.34 3.64 -1.61 0.16 116.57 130.19 1n0f h LYS 142 Ca -0.39 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1n0f h LYS 142 Cb 1.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1n0f h LYS 142 CO 0.75 0.19 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.84 1n0f h LYS 143 N 0.29 0.25 -0.66 1.90 1.63 -1.94 -1.70 116.57 116.34 1n0f h LYS 143 Ca 0.45 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 60.19 1n0f h LYS 143 Cb 0.78 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.35 1n0f h LYS 143 CO -0.52 0.59 0.38 -0.07 -3.45 0.00 0.00 179.45 176.37 1n0f h LEU 144 N -0.09 0.57 -0.15 5.20 4.07 -1.79 0.24 115.31 123.36 1n0f h LEU 144 Ca 0.03 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1n0f h LEU 144 Cb 0.51 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1n0f h LEU 144 CO 0.02 0.38 0.08 0.22 -1.08 0.00 0.00 178.44 178.06 1n0f h TYR 145 N 0.71 0.15 -0.66 1.13 3.20 -0.58 0.86 116.97 121.78 1n0f h TYR 145 Ca 0.29 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1n0f h TYR 145 Cb 0.15 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1n0f h TYR 145 CO -0.07 0.09 0.41 0.93 -1.64 0.00 0.00 178.16 177.88 1n0f h GLU 146 N 0.17 0.89 -0.76 1.82 5.08 -0.86 0.43 114.58 121.35 1n0f h GLU 146 Ca 0.06 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1n0f h GLU 146 Cb 0.00 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.02 1n0f h GLU 146 CO -0.04 0.62 0.48 -0.44 -1.00 0.00 0.00 179.01 178.63 1n0f h ASP 147 N 0.90 0.79 -0.28 1.42 3.32 -0.36 0.31 116.42 122.52 1n0f h ASP 147 Ca 0.24 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1n0f h ASP 147 Cb -0.05 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1n0f h ASP 147 CO -0.05 0.54 0.02 0.22 -1.72 0.00 0.00 179.24 178.26 1n0f h TYR 148 N 0.93 0.03 -0.79 4.55 3.20 0.33 0.25 116.97 125.47 1n0f h TYR 148 Ca 0.31 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1n0f h TYR 148 Cb 0.03 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1n0f h TYR 148 CO -0.04 -0.02 0.35 -0.07 -1.64 0.00 0.00 178.16 176.75 1n0f h LEU 149 N 0.12 1.07 -0.90 2.82 4.07 -0.20 -2.89 115.31 119.39 1n0f h LEU 149 Ca 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1n0f h LEU 149 Cb 0.16 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.58 1n0f h LEU 149 CO -0.20 0.92 0.57 0.00 -1.08 0.00 0.00 178.44 178.65 1n0f h ALA 150 N 1.19 1.14 -3.00 1.53 0.00 0.65 -3.40 119.26 117.37 1n0f h ALA 150 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n0f h ALA 150 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n0f h ALA 150 CO -0.03 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.89 1n0f n ASN 151 N -4.42 0.00 -2.00 0.00 3.02 -0.03 -4.97 115.26 106.86 1n0f n ASN 151 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1n0f n ASN 151 Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 -8.87 -3.00 6.41 3.41 -1.24 -4.92 113.62 105.42 1n0f n SER 152 Ca 0.00 1.39 -0.14 0.00 -0.26 0.00 0.00 58.87 59.86 1n0f n SER 152 Cb 0.00 -5.02 0.12 0.00 -0.26 0.00 0.00 64.21 59.05 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 1.18 -2.08 -1.66 4.33 1.02 -1.26 -4.99 120.64 117.18 1n0f n GLU 153 Ca 0.00 -0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 56.02 1n0f n GLU 153 Cb 0.00 -0.76 0.06 0.00 -0.02 0.00 0.00 31.44 30.72 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 -2.84 4.95 0.34 1.62 1.04 -1.26 -4.82 113.70 112.73 1n0f s SER 154 Ca 0.32 2.00 0.02 0.00 0.48 0.00 0.00 55.95 58.77 1n0f s SER 154 Cb -0.03 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.15 1n0f s SER 154 CO 0.25 -1.74 2.00 0.25 0.98 0.00 0.00 173.24 174.99 1n0f h LEU 155 N -0.16 0.76 -0.07 2.42 5.85 -1.99 0.12 115.31 122.24 1n0f h LEU 155 Ca -0.46 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1n0f h LEU 155 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1n0f h LEU 155 CO 0.53 0.55 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.56 1n0f h GLU 156 N 0.89 0.32 -0.51 1.25 3.07 -1.99 -1.49 114.58 116.13 1n0f h GLU 156 Ca 0.25 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n0f h GLU 156 Cb -0.08 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1n0f h GLU 156 CO -0.06 0.88 0.32 1.15 -1.40 0.00 0.00 179.01 179.90 1n0f h THR 157 N -0.18 1.15 -0.44 1.13 2.02 -1.82 -1.46 112.91 113.31 1n0f h THR 157 Ca -0.02 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 1n0f h THR 157 Cb 0.93 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1n0f h THR 157 CO 0.06 0.15 -0.01 0.58 0.37 0.00 0.00 175.52 176.67 1n0f h VAL 158 N 0.69 1.26 -0.20 3.16 2.07 -0.81 -3.13 116.25 119.28 1n0f h VAL 158 Ca 0.18 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1n0f h VAL 158 Cb -0.03 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1n0f h VAL 158 CO -0.04 0.36 -0.24 0.00 0.02 0.00 0.00 177.57 177.68 1n0f h ALA 159 N 0.90 1.22 -0.07 1.67 0.00 -1.01 -2.71 119.26 119.26 1n0f h ALA 159 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1n0f h ALA 159 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n0f h ALA 159 CO 0.02 0.51 0.03 1.49 0.00 0.00 0.00 179.25 181.30 1n0f h GLU 160 N 0.33 0.09 0.00 0.00 4.57 -1.21 -2.03 114.58 116.34 1n0f h GLU 160 Ca 0.05 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1n0f h GLU 160 Cb 0.60 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1n0f h GLU 160 CO 0.04 0.08 -0.24 0.00 -1.18 0.00 0.00 179.01 177.71 1n0f h ARG 161 N 0.09 0.00 0.00 1.92 3.08 -1.54 -3.52 114.38 114.42 1n0f h ARG 161 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1n0f h ARG 161 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1n0f h ARG 161 CO -0.00 0.24 0.00 -1.33 -1.07 0.00 0.00 179.97 177.81