#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 4.07 0.21 3.17 1.43 -1.01 -4.89 118.68 121.66 1n0f s LEU 27 Ca 0.00 0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1n0f s LEU 27 Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1n0f s LEU 27 CO 0.00 -0.67 -0.03 -0.76 0.23 0.00 0.00 176.35 175.12 1n0f s LEU 28 N 3.08 2.28 0.00 1.79 1.43 -1.26 0.17 118.68 126.18 1n0f s LEU 28 Ca 0.34 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1n0f s LEU 28 Cb -0.14 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.79 1n0f s LEU 28 CO 0.14 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1n0f n GLY 29 N -0.35 -0.07 3.33 -3.19 0.00 -1.26 -4.30 105.19 99.35 1n0f n GLY 29 Ca -0.07 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.26 2.00 -0.08 2.61 2.01 -1.26 0.56 115.64 120.23 1n0f s THR 30 Ca 0.00 -1.54 -0.07 0.00 0.31 0.00 0.00 61.69 60.39 1n0f s THR 30 Cb 0.00 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1n0f s THR 30 CO 0.00 0.13 0.20 -0.36 -0.69 0.00 0.00 174.62 173.90 1n0f s PHE 31 N -0.99 -0.22 -0.19 4.92 0.08 0.27 -4.96 117.98 116.88 1n0f s PHE 31 Ca 0.11 0.54 -0.07 0.00 0.12 0.00 0.00 56.93 57.62 1n0f s PHE 31 Cb -0.10 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 1n0f s PHE 31 CO 0.04 -0.11 0.06 -0.80 -0.10 0.00 0.00 175.22 174.32 1n0f s ASN 32 N 0.14 5.54 0.31 1.36 0.01 -1.26 -0.63 114.94 120.41 1n0f s ASN 32 Ca -0.00 0.03 -0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1n0f s ASN 32 Cb -0.02 -1.96 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 1n0f s ASN 32 CO -0.00 0.14 0.36 0.27 -1.51 0.00 0.00 177.10 176.36 1n0f s ILE 33 N 0.60 0.00 0.02 0.60 -4.36 -0.49 -4.99 121.20 112.58 1n0f s ILE 33 Ca 0.03 -1.76 0.07 0.00 -0.26 0.00 0.00 60.65 58.73 1n0f s ILE 33 Cb -0.13 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1n0f s ILE 33 CO 0.01 0.00 -0.21 -0.89 0.24 0.00 0.00 174.94 174.10 1n0f s THR 34 N -3.44 1.66 -0.34 8.37 2.01 -1.26 -0.06 115.64 122.58 1n0f s THR 34 Ca 0.34 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1n0f s THR 34 Cb 0.02 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1n0f s THR 34 CO 0.20 0.30 0.88 -0.22 -0.69 0.00 0.00 174.62 175.09 1n0f s LEU 35 N -0.93 4.04 1.14 4.42 0.20 -1.26 -4.61 118.68 121.69 1n0f s LEU 35 Ca 0.08 0.65 -0.19 0.00 0.69 0.00 0.00 54.13 55.36 1n0f s LEU 35 Cb -0.08 -3.20 0.27 0.00 -0.43 0.00 0.00 46.19 42.74 1n0f s LEU 35 CO 0.01 -0.75 1.20 1.51 -0.29 0.00 0.00 176.35 178.03 1n0f s ASP 36 N 1.74 1.49 0.43 3.68 3.84 -0.26 -4.72 116.67 122.87 1n0f s ASP 36 Ca 0.36 0.41 0.14 0.00 -0.00 0.00 0.00 52.55 53.46 1n0f s ASP 36 Cb -0.13 -0.51 1.03 0.00 -1.38 0.00 0.00 42.92 41.94 1n0f s ASP 36 CO 0.16 -3.75 1.97 0.00 -0.00 0.00 0.00 175.17 173.55 1n0f h ALA 37 N -2.33 2.03 -0.50 2.11 0.00 -1.96 -0.88 119.26 117.73 1n0f h ALA 37 Ca -0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1n0f h ALA 37 Cb 1.26 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1n0f h ALA 37 CO 0.31 -0.17 0.15 1.63 0.00 0.00 0.00 179.25 181.18 1n0f n LYS 38 N -4.47 3.10 -3.00 0.00 5.02 -1.26 -4.90 118.16 112.65 1n0f n LYS 38 Ca 0.10 -2.15 -0.22 0.00 -2.02 0.00 0.00 58.31 54.02 1n0f n LYS 38 Cb 0.39 -1.96 0.03 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.08 -5.72 -4.75 4.39 5.03 -0.33 -4.80 115.26 109.16 1n0f n ASN 39 Ca 0.27 -0.27 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 1n0f n ASN 39 Cb 1.05 -4.65 -0.06 0.00 -1.02 0.00 0.00 39.78 35.10 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 -5.68 2.68 -0.01 3.52 0.52 -1.26 -1.57 118.95 117.15 1n0f s ARG 40 Ca 0.28 -1.09 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 1n0f s ARG 40 Cb -0.13 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 1n0f s ARG 40 CO 0.35 0.42 -0.15 0.42 0.02 0.00 0.00 175.30 176.37 1n0f s ILE 41 N -1.99 1.19 -0.32 1.52 1.01 -0.55 -1.11 121.20 120.96 1n0f s ILE 41 Ca 0.31 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1n0f s ILE 41 Cb -0.08 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1n0f s ILE 41 CO 0.22 0.34 0.21 -0.44 0.00 0.00 0.00 174.94 175.27 1n0f s SER 42 N -0.36 5.99 0.10 3.58 0.01 -1.26 -0.67 113.70 121.09 1n0f s SER 42 Ca 0.06 -0.28 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 1n0f s SER 42 Cb -0.06 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1n0f s SER 42 CO -0.01 -0.16 1.63 -0.76 0.41 0.00 0.00 173.24 174.35 1n0f s LEU 43 N 1.73 4.37 0.00 2.44 1.43 0.14 -4.81 118.68 123.97 1n0f s LEU 43 Ca 0.06 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1n0f s LEU 43 Cb -0.17 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1n0f s LEU 43 CO 0.10 -0.87 0.00 -2.65 0.23 0.00 0.00 176.35 173.16 1n0f n PRO 44 N 5.13 0.00 0.00 1.29 -0.02 -1.26 -4.42 135.00 135.71 1n0f n PRO 44 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1n0f n PRO 44 Cb 0.40 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 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 0.00 0.00 0.05 3.55 0.00 -1.26 -4.05 120.51 118.80 1n0f n ALA 45 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1n0f n ALA 45 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.32 -0.22 0.00 1.57 -2.02 -2.80 116.57 112.79 1n0f h LYS 46 Ca 0.00 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1n0f h LYS 46 Cb 0.00 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1n0f h LYS 46 CO 0.00 -0.21 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.05 1n0f h LEU 47 N -0.33 0.72 -1.58 2.94 4.07 -1.89 -3.29 115.31 115.95 1n0f h LEU 47 Ca 0.06 -0.39 0.23 0.00 0.08 0.00 0.00 57.88 57.87 1n0f h LEU 47 Cb 0.41 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 41.88 1n0f h LEU 47 CO -0.20 1.12 0.63 -0.09 -1.08 0.00 0.00 178.44 178.83 1n0f h ARG 48 N 0.50 0.31 0.31 1.13 2.43 -1.71 -2.05 114.38 115.30 1n0f h ARG 48 Ca 0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n0f h ARG 48 Cb 1.11 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1n0f h ARG 48 CO 0.11 0.20 -0.47 0.00 -1.51 0.00 0.00 179.97 178.30 1n0f h ALA 49 N 1.59 -1.05 -0.88 2.80 0.00 -1.61 -2.56 119.26 117.55 1n0f h ALA 49 Ca 0.49 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.38 1n0f h ALA 49 Cb 1.38 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 19.81 1n0f h ALA 49 CO -0.17 -1.12 -0.40 0.34 0.00 0.00 0.00 179.25 177.91 1n0f n PHE 50 N -5.21 -0.10 -2.65 0.00 7.35 -0.77 -4.26 117.46 111.81 1n0f n PHE 50 Ca -0.10 1.09 -0.43 0.00 -0.76 0.00 0.00 57.45 57.26 1n0f n PHE 50 Cb 0.40 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.46 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 -5.71 3.23 0.00 -5.13 0.08 -0.96 -5.03 117.98 104.45 1n0f s PHE 51 Ca -0.12 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1n0f s PHE 51 Cb 0.15 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1n0f s PHE 51 CO 0.61 -0.64 0.00 0.39 -0.10 0.00 0.00 175.22 175.48 1n0f n GLU 52 N 6.62 2.62 -0.09 0.44 1.02 -1.26 -4.90 120.64 125.09 1n0f n GLU 52 Ca 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1n0f n GLU 52 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.91 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 0.92 -2.29 0.62 0.00 -1.96 -3.44 103.07 96.91 1n0f h GLY 53 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 47.33 46.08 1n0f h GLY 53 CO 0.00 0.82 -0.59 -1.35 0.00 0.00 0.00 176.54 175.42 1n0f s SER 54 N -6.82 0.99 0.21 0.19 1.04 -1.26 -0.70 113.70 107.34 1n0f s SER 54 Ca -0.10 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 54.77 1n0f s SER 54 Cb 0.12 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1n0f s SER 54 CO 0.86 -0.84 0.35 0.27 0.98 0.00 0.00 173.24 174.87 1n0f s ILE 55 N -3.82 0.03 -0.09 -1.02 -5.25 -0.16 -4.42 121.20 106.47 1n0f s ILE 55 Ca 0.38 -1.47 -0.01 0.00 -0.99 0.00 0.00 60.65 58.56 1n0f s ILE 55 Cb 0.06 -2.09 -0.03 0.00 2.95 0.00 0.00 42.46 43.35 1n0f s ILE 55 CO 0.15 -0.12 -0.04 -0.69 -1.79 0.00 0.00 174.94 172.45 1n0f s VAL 56 N -4.02 3.92 -0.11 8.37 1.01 -0.35 -0.03 120.40 129.19 1n0f s VAL 56 Ca 0.23 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1n0f s VAL 56 Cb 0.02 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1n0f s VAL 56 CO 0.06 0.59 -0.18 0.00 0.00 0.00 0.00 175.10 175.56 1n0f n ILE 57 N 2.37 0.96 -0.90 2.22 3.06 -1.26 -1.74 119.36 124.07 1n0f n ILE 57 Ca -0.18 -0.05 0.02 0.00 -2.50 0.00 0.00 62.75 60.03 1n0f n ILE 57 Cb 0.53 -1.78 -0.01 0.00 0.54 0.00 0.00 39.64 38.92 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 -3.74 -1.50 -4.79 9.51 0.23 -1.22 -2.79 115.26 110.97 1n0f n ASN 58 Ca -0.21 0.31 -0.39 0.00 -0.53 0.00 0.00 54.58 53.76 1n0f n ASN 58 Cb 0.56 -2.16 -0.06 0.00 -2.08 0.00 0.00 39.78 36.05 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 -4.56 4.31 0.00 -3.83 1.70 -1.26 -1.08 118.95 114.23 1n0f s ARG 59 Ca 0.00 0.83 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 1n0f s ARG 59 Cb 0.00 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 1n0f s ARG 59 CO 0.00 0.55 0.00 0.41 -1.08 0.00 0.00 175.30 175.18 1n0f n GLY 60 N 1.90 1.84 3.90 3.88 0.00 -1.26 -4.73 105.19 110.71 1n0f n GLY 60 Ca -0.08 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 1.45 3.48 -1.91 1.61 0.08 -1.26 -4.09 117.98 117.33 1n0f s PHE 61 Ca 0.00 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1n0f s PHE 61 Cb 0.00 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1n0f s PHE 61 CO 0.00 0.05 0.00 0.39 -0.10 0.00 0.00 175.22 175.56 1n0f n GLU 62 N -1.15 -1.53 -2.56 0.44 4.71 -1.26 -3.33 120.64 115.96 1n0f n GLU 62 Ca -0.00 1.08 -0.08 0.00 -0.01 0.00 0.00 57.16 58.15 1n0f n GLU 62 Cb 0.54 -5.59 0.04 0.00 -1.01 0.00 0.00 31.44 25.41 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 -1.62 -2.68 0.00 1.62 3.02 -1.26 -5.01 115.26 109.33 1n0f n ASN 63 Ca -0.22 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1n0f n ASN 63 Cb 0.68 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 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 -0.99 -4.23 -4.55 0.00 4.32 -1.26 -2.41 117.00 107.90 1n0f n LEU 65 Ca 0.00 1.71 -0.32 0.00 -0.02 0.00 0.00 56.01 57.38 1n0f n LEU 65 Cb 0.00 -2.16 -0.11 0.00 -1.62 0.00 0.00 43.42 39.53 1n0f n LEU 65 CO 0.00 -1.04 -0.42 -1.61 -1.22 0.00 0.00 177.39 173.10 1n0f s GLU 66 N -1.66 2.40 -0.03 3.23 2.02 -0.24 -1.23 118.70 123.19 1n0f s GLU 66 Ca 0.00 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.25 1n0f s GLU 66 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1n0f s GLU 66 CO 0.00 0.58 -0.23 0.08 0.02 0.00 0.00 175.26 175.72 1n0f s VAL 67 N -0.96 1.81 0.00 2.63 1.01 0.46 -4.13 120.40 121.22 1n0f s VAL 67 Ca 0.16 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1n0f s VAL 67 Cb -0.11 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1n0f s VAL 67 CO 0.07 0.51 0.22 -0.13 0.00 0.00 0.00 175.10 175.77 1n0f s ARG 68 N -0.39 0.60 0.39 2.72 0.52 -0.71 -1.39 118.95 120.68 1n0f s ARG 68 Ca 0.05 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 1n0f s ARG 68 Cb -0.10 0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.54 1n0f s ARG 68 CO 0.00 -0.16 1.21 0.15 0.02 0.00 0.00 175.30 176.52 1n0f s LYS 69 N -1.55 4.08 0.22 3.54 1.02 -1.26 -1.22 119.74 124.58 1n0f s LYS 69 Ca -0.13 1.93 -0.13 0.00 0.02 0.00 0.00 55.97 57.66 1n0f s LYS 69 Cb -0.06 -2.74 0.27 0.00 -0.52 0.00 0.00 37.83 34.78 1n0f s LYS 69 CO 0.02 -0.33 1.60 -1.35 -0.92 0.00 0.00 175.35 174.38 1n0f h PRO 70 N 2.75 -0.02 0.00 -1.68 0.11 -1.91 0.45 132.00 131.69 1n0f h PRO 70 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1n0f h PRO 70 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n0f h PRO 70 CO 0.63 -0.01 -0.04 -0.56 -0.21 0.00 0.00 178.00 177.80 1n0f h GLN 71 N -0.02 0.00 0.06 1.05 -0.00 -1.97 0.90 115.11 115.13 1n0f h GLN 71 Ca 0.34 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.75 1n0f h GLN 71 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 1n0f h GLN 71 CO -0.75 0.04 -1.08 -0.44 -0.00 0.00 0.00 178.83 176.60 1n0f h ASP 72 N 0.00 0.28 -0.38 0.06 3.32 -0.54 -2.59 116.42 116.56 1n0f h ASP 72 Ca -0.00 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 1n0f h ASP 72 Cb 0.12 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1n0f h ASP 72 CO 0.01 1.18 -0.09 0.15 -1.72 0.00 0.00 179.24 178.76 1n0f h PHE 73 N 0.07 0.90 -0.20 4.55 3.57 0.63 -0.63 116.94 125.83 1n0f h PHE 73 Ca -0.08 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.30 1n0f h PHE 73 Cb 1.80 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 1n0f h PHE 73 CO 0.04 0.87 -0.01 0.37 -2.23 0.00 0.00 178.31 177.35 1n0f h GLN 74 N 0.74 0.05 -0.10 1.11 5.75 -0.79 -1.26 115.11 120.62 1n0f h GLN 74 Ca 0.13 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 1n0f h GLN 74 Cb 0.58 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1n0f h GLN 74 CO 0.04 0.03 -0.37 0.87 -2.65 0.00 0.00 178.83 176.75 1n0f h LYS 75 N 0.05 0.20 -0.13 1.69 1.57 -1.03 -2.93 116.57 115.99 1n0f h LYS 75 Ca 0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1n0f h LYS 75 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1n0f h LYS 75 CO -0.16 0.55 0.06 -0.92 -0.57 0.00 0.00 179.45 178.40 1n0f h TYR 76 N 0.17 0.19 -0.45 -1.35 3.20 -0.63 -3.11 116.97 114.98 1n0f h TYR 76 Ca 0.02 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1n0f h TYR 76 Cb 0.73 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1n0f h TYR 76 CO 0.01 0.26 0.00 0.35 -1.64 0.00 0.00 178.16 177.14 1n0f h PHE 77 N 0.07 -0.02 -1.00 -3.82 3.57 -1.07 -0.95 116.94 113.72 1n0f h PHE 77 Ca 0.04 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.79 1n0f h PHE 77 Cb 0.14 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.86 1n0f h PHE 77 CO -0.02 -0.09 0.62 0.93 -2.23 0.00 0.00 178.31 177.51 1n0f h GLU 78 N 0.12 0.60 0.00 1.11 5.08 -1.46 0.99 114.58 121.01 1n0f h GLU 78 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1n0f h GLU 78 Cb 0.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1n0f h GLU 78 CO -0.37 0.39 0.05 1.96 -1.00 0.00 0.00 179.01 180.05 1n0f h GLN 79 N 0.61 0.00 0.01 2.33 4.20 -1.12 -2.18 115.11 118.96 1n0f h GLN 79 Ca 0.58 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 59.00 1n0f h GLN 79 Cb 1.11 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1n0f h GLN 79 CO -0.35 0.00 -1.55 1.19 -0.67 0.00 0.00 178.83 177.44 1n0f n PHE 80 N -2.34 0.84 0.21 2.96 3.72 0.34 -4.04 117.46 119.16 1n0f n PHE 80 Ca -0.02 0.35 0.04 0.00 -0.05 0.00 0.00 57.45 57.78 1n0f n PHE 80 Cb 0.09 -1.09 0.24 0.00 -0.94 0.00 0.00 39.48 37.78 1n0f n PHE 80 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1n0f h ASN 81 N -0.92 0.00 0.00 4.37 4.21 -1.06 1.94 115.58 124.13 1n0f h ASN 81 Ca -0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.09 1n0f h ASN 81 Cb 1.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 1n0f h ASN 81 CO -0.23 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 174.37 1n0f n SER 82 N -2.10 0.00 -4.76 5.81 3.41 -1.20 -4.71 113.62 110.08 1n0f n SER 82 Ca -0.01 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.19 1n0f n SER 82 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.00 3.40 0.00 7.33 0.08 0.66 -5.04 117.98 122.42 1n0f s PHE 83 Ca 0.29 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1n0f s PHE 83 Cb 0.13 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1n0f s PHE 83 CO 0.23 0.45 0.00 -2.30 -0.10 0.00 0.00 175.22 173.50 1n0f n PRO 84 N 2.73 0.00 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.90 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 -1.84 0.00 0.03 2.55 2.88 -1.26 -4.60 113.62 111.38 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 -0.57 0.17 -2.95 2.46 -2.24 -1.26 -4.75 114.28 105.15 1n0f n THR 86 Ca 0.00 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1n0f n THR 86 Cb 0.00 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.08 4.56 0.09 -0.78 -1.52 -1.26 -5.00 119.66 112.67 1n0f s GLN 87 Ca 0.09 1.16 -0.25 0.00 -1.95 0.00 0.00 55.36 54.41 1n0f s GLN 87 Cb 0.16 -3.32 -0.13 0.00 -0.22 0.00 0.00 33.01 29.50 1n0f s GLN 87 CO 0.70 0.41 1.70 -0.22 -0.25 0.00 0.00 175.29 177.63 1n0f h LYS 88 N 5.01 -0.21 -0.87 2.91 3.64 -2.01 -2.95 116.57 122.08 1n0f h LYS 88 Ca -0.45 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1n0f h LYS 88 Cb 1.21 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1n0f h LYS 88 CO 0.69 -0.14 0.51 -0.44 -2.27 0.00 0.00 179.45 177.79 1n0f h ASP 89 N -0.22 0.73 -0.99 4.20 3.32 -1.98 -1.21 116.42 120.27 1n0f h ASP 89 Ca -0.00 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.17 1n0f h ASP 89 Cb 0.20 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 1n0f h ASP 89 CO -0.01 0.40 0.64 0.74 -1.72 0.00 0.00 179.24 179.29 1n0f h THR 90 N 0.83 1.07 -0.29 0.35 2.02 -1.90 0.12 112.91 115.11 1n0f h THR 90 Ca 0.43 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 67.06 1n0f h THR 90 Cb 0.41 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1n0f h THR 90 CO -0.26 0.21 -0.44 0.03 0.37 0.00 0.00 175.52 175.43 1n0f h ARG 91 N 1.14 0.73 -0.56 6.66 3.08 -1.15 -1.32 114.38 122.97 1n0f h ARG 91 Ca 0.43 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1n0f h ARG 91 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1n0f h ARG 91 CO -0.18 1.02 -0.07 1.15 -1.07 0.00 0.00 179.97 180.82 1n0f h THR 92 N 0.59 1.27 0.36 2.04 2.02 -0.22 -0.53 112.91 118.44 1n0f h THR 92 Ca 0.04 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1n0f h THR 92 Cb 0.99 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1n0f h THR 92 CO 0.09 0.44 -0.17 0.25 0.37 0.00 0.00 175.52 176.49 1n0f h LEU 93 N 0.92 -0.41 -1.39 2.58 5.85 -0.65 -0.11 115.31 122.10 1n0f h LEU 93 Ca 0.15 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1n0f h LEU 93 Cb 0.63 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1n0f h LEU 93 CO 0.04 -0.23 0.42 0.11 -0.34 0.00 0.00 178.44 178.44 1n0f h LYS 94 N -0.57 0.82 -0.26 1.25 1.57 -1.15 -0.58 116.57 117.65 1n0f h LYS 94 Ca -0.05 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 1n0f h LYS 94 Cb 0.42 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1n0f h LYS 94 CO 0.08 0.54 -0.36 0.00 -0.57 0.00 0.00 179.45 179.14 1n0f h ARG 95 N 0.84 0.71 -0.77 3.15 3.08 -0.88 -1.78 114.38 118.73 1n0f h ARG 95 Ca 0.23 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1n0f h ARG 95 Cb -0.08 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1n0f h ARG 95 CO -0.05 1.03 0.40 -0.07 -1.07 0.00 0.00 179.97 180.20 1n0f h LEU 96 N 0.44 0.99 0.00 3.04 3.38 -0.54 -2.85 115.31 119.77 1n0f h LEU 96 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n0f h LEU 96 Cb 0.95 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1n0f h LEU 96 CO 0.08 0.83 0.00 -0.38 0.09 0.00 0.00 178.44 179.06 1n0f n ILE 97 N -4.40 0.00 0.32 1.22 5.41 -0.27 -4.18 119.36 117.46 1n0f n ILE 97 Ca 0.07 0.83 0.21 0.00 1.00 0.00 0.00 62.75 64.86 1n0f n ILE 97 Cb 0.12 -1.81 1.09 0.00 -0.71 0.00 0.00 39.64 38.32 1n0f n ILE 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1n0f h PHE 98 N 0.00 0.00 0.00 1.39 0.04 -1.47 -2.27 116.94 114.63 1n0f h PHE 98 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1n0f h PHE 98 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1n0f h PHE 98 CO 0.08 0.00 -0.47 0.00 -0.60 0.00 0.00 178.31 177.32 1n0f h ALA 99 N 2.00 0.97 -0.41 2.45 0.00 -1.67 -3.12 119.26 119.49 1n0f h ALA 99 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1n0f h ALA 99 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n0f h ALA 99 CO 0.00 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.93 1n0f n ASN 100 N -3.62 3.25 -4.81 0.00 3.02 -0.87 -4.96 115.26 107.27 1n0f n ASN 100 Ca -0.00 -1.93 -0.33 0.00 -0.03 0.00 0.00 54.58 52.29 1n0f n ASN 100 Cb 0.56 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.18 2.87 0.00 5.41 0.00 -1.13 -3.40 121.76 124.33 1n0f s ALA 101 Ca 0.34 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1n0f s ALA 101 Cb 0.19 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1n0f s ALA 101 CO 0.26 -0.51 0.00 0.09 0.00 0.00 0.00 175.76 175.59 1n0f n ASN 102 N -1.67 1.20 -1.44 0.00 5.03 -1.26 -4.71 115.26 112.41 1n0f n ASN 102 Ca 0.08 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.53 1n0f n ASN 102 Cb 0.53 0.09 -0.00 0.00 -1.02 0.00 0.00 39.78 39.37 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 -1.17 -0.57 -4.22 3.10 3.72 -1.23 -4.89 117.46 112.20 1n0f n PHE 103 Ca 0.00 0.33 -0.20 0.00 -0.05 0.00 0.00 57.45 57.54 1n0f n PHE 103 Cb 0.13 -1.97 -0.12 0.00 -0.94 0.00 0.00 39.48 36.58 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 -0.08 1.34 -0.07 -4.37 1.01 0.95 -4.94 120.40 114.25 1n0f s VAL 104 Ca -0.02 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1n0f s VAL 104 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1n0f s VAL 104 CO 0.06 -0.25 0.27 -1.81 0.00 0.00 0.00 175.10 173.37 1n0f s ASP 105 N -2.02 6.58 -0.16 3.32 1.01 -1.26 -0.99 116.67 123.15 1n0f s ASP 105 Ca 0.04 0.69 -0.21 0.00 0.71 0.00 0.00 52.55 53.78 1n0f s ASP 105 Cb -0.08 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1n0f s ASP 105 CO 0.03 0.35 0.64 -0.69 0.21 0.00 0.00 175.17 175.71 1n0f s VAL 106 N -0.93 5.04 0.97 -1.27 1.01 0.12 -4.50 120.40 120.84 1n0f s VAL 106 Ca 0.19 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1n0f s VAL 106 Cb -0.14 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.46 1n0f s VAL 106 CO 0.08 0.16 1.21 1.51 0.00 0.00 0.00 175.10 178.07 1n0f s ASP 107 N 1.03 2.98 0.23 3.32 3.84 0.26 -4.80 116.67 123.53 1n0f s ASP 107 Ca 0.31 0.60 -0.08 0.00 -0.00 0.00 0.00 52.55 53.38 1n0f s ASP 107 Cb -0.16 -0.89 0.38 0.00 -1.38 0.00 0.00 42.92 40.87 1n0f s ASP 107 CO 0.12 -2.84 1.66 0.71 -0.00 0.00 0.00 175.17 174.81 1n0f h THR 108 N -1.71 0.44 0.00 2.11 1.35 -1.96 0.62 112.91 113.76 1n0f h THR 108 Ca -0.46 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1n0f h THR 108 Cb 1.29 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1n0f h THR 108 CO 0.48 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 1n0f n ALA 109 N -2.82 2.24 -1.89 6.62 0.00 -1.26 -4.84 120.51 118.56 1n0f n ALA 109 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1n0f n ALA 109 Cb 0.42 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.26 0.31 3.82 0.00 0.00 0.21 -4.79 105.19 104.99 1n0f n GLY 110 Ca 0.09 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.82 3.04 -0.10 1.61 0.52 -1.25 0.27 118.95 119.22 1n0f s ARG 111 Ca 0.00 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 1n0f s ARG 111 Cb 0.00 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.68 1n0f s ARG 111 CO 0.00 0.57 -0.13 0.08 0.02 0.00 0.00 175.30 175.83 1n0f s VAL 112 N -1.47 1.34 -0.35 3.52 1.01 0.16 -0.58 120.40 124.03 1n0f s VAL 112 Ca 0.31 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1n0f s VAL 112 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1n0f s VAL 112 CO 0.24 0.41 0.84 -0.22 0.00 0.00 0.00 175.10 176.36 1n0f s LEU 113 N 0.98 4.08 -0.18 3.92 0.20 -1.26 -1.48 118.68 124.94 1n0f s LEU 113 Ca -0.08 0.51 -0.27 0.00 0.69 0.00 0.00 54.13 54.99 1n0f s LEU 113 Cb -0.15 -3.12 -0.01 0.00 -0.43 0.00 0.00 46.19 42.48 1n0f s LEU 113 CO -0.01 -0.75 0.90 -0.63 -0.29 0.00 0.00 176.35 175.57 1n0f s ILE 114 N 3.20 4.83 0.27 6.68 1.01 -0.61 -4.94 121.20 131.63 1n0f s ILE 114 Ca 0.34 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 1n0f s ILE 114 Cb -0.13 -4.19 -0.14 0.00 0.01 0.00 0.00 42.46 38.01 1n0f s ILE 114 CO 0.16 -0.02 1.13 -2.65 0.00 0.00 0.00 174.94 173.56 1n0f n PRO 115 N 5.45 1.53 -0.10 2.79 -0.02 -1.26 -4.71 135.00 138.68 1n0f n PRO 115 Ca 0.07 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1n0f n PRO 115 Cb 0.48 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.58 -1.15 -0.86 2.55 2.35 -1.98 0.34 115.58 119.41 1n0f h ASN 116 Ca -0.42 0.19 0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1n0f h ASN 116 Cb 1.32 0.52 -0.09 0.00 0.05 0.00 0.00 38.32 40.12 1n0f h ASN 116 CO 0.64 -0.34 0.46 -0.55 -1.65 0.00 0.00 177.43 175.99 1n0f h ASN 117 N -0.29 0.57 -0.29 5.81 -0.00 -2.00 -0.42 115.58 118.96 1n0f h ASN 117 Ca 0.15 0.09 -0.12 0.00 -0.00 0.00 0.00 56.30 56.42 1n0f h ASN 117 Cb 0.55 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.85 1n0f h ASN 117 CO -0.52 0.24 -0.26 -0.07 -0.00 0.00 0.00 177.43 176.83 1n0f h LEU 118 N 0.66 0.80 -1.66 6.14 4.07 -1.55 -0.27 115.31 123.49 1n0f h LEU 118 Ca 0.47 -0.31 0.07 0.00 0.08 0.00 0.00 57.88 58.19 1n0f h LEU 118 Cb 0.65 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 1n0f h LEU 118 CO -0.35 1.02 0.35 0.40 -1.08 0.00 0.00 178.44 178.78 1n0f h ILE 119 N 0.67 0.95 0.10 1.22 1.08 0.66 -2.63 117.51 119.56 1n0f h ILE 119 Ca 0.09 -0.14 -0.22 0.00 -0.39 0.00 0.00 64.86 64.20 1n0f h ILE 119 Cb 0.78 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1n0f h ILE 119 CO 0.06 0.07 -1.08 0.78 -0.69 0.00 0.00 178.15 177.30 1n0f h ASN 120 N 0.41 0.33 -0.38 1.72 2.35 -0.90 -2.19 115.58 116.93 1n0f h ASN 120 Ca 0.23 -0.87 0.05 0.00 -0.55 0.00 0.00 56.30 55.16 1n0f h ASN 120 Cb 0.37 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.55 1n0f h ASN 120 CO -0.06 1.48 -0.53 0.44 -1.65 0.00 0.00 177.43 177.10 1n0f h ASP 121 N -0.46 -1.77 -3.38 5.81 3.32 -0.77 -3.29 116.42 115.87 1n0f h ASP 121 Ca -0.23 0.24 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1n0f h ASP 121 Cb 1.61 0.73 -0.05 0.00 0.22 0.00 0.00 39.33 41.84 1n0f h ASP 121 CO 0.06 -0.41 0.13 0.00 -1.72 0.00 0.00 179.24 177.29 1n0f s ALA 122 N -5.69 3.34 -0.05 3.45 0.00 -1.02 -4.90 121.76 116.89 1n0f s ALA 122 Ca -0.15 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 1n0f s ALA 122 Cb 0.09 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 20.09 1n0f s ALA 122 CO 0.62 -0.05 2.14 1.63 0.00 0.00 0.00 175.76 180.10 1n0f n LYS 123 N 3.46 1.10 -1.71 0.00 4.76 -1.24 -4.60 118.16 119.93 1n0f n LYS 123 Ca -0.01 -0.58 -0.40 0.00 -2.87 0.00 0.00 58.31 54.45 1n0f n LYS 123 Cb 0.51 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1n0f n LYS 123 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n0f n LEU 124 N 2.83 4.35 0.05 -0.35 4.32 -0.82 -4.86 117.00 122.52 1n0f n LEU 124 Ca 0.24 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 1n0f n LEU 124 Cb 0.46 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 1n0f n LEU 124 CO 0.21 -0.58 0.00 -0.67 -1.22 0.00 0.00 177.39 175.13 1n0f n ASP 125 N 0.01 -0.39 -3.42 -1.43 2.03 -1.26 -4.81 116.55 107.27 1n0f n ASP 125 Ca 0.07 0.19 0.02 0.00 0.52 0.00 0.00 54.79 55.59 1n0f n ASP 125 Cb 0.41 0.51 -0.05 0.00 -0.72 0.00 0.00 41.12 41.26 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 -1.31 0.15 0.00 -0.67 2.20 -1.26 -4.75 119.74 114.10 1n0f s LYS 126 Ca 0.00 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1n0f s LYS 126 Cb 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 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 4.15 0.00 -4.11 4.03 1.02 -1.26 -4.88 120.64 119.59 1n0f n GLU 127 Ca -0.12 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.81 1n0f n GLU 127 Cb 0.55 -0.11 -0.06 0.00 -0.02 0.00 0.00 31.44 31.81 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 4.36 -0.11 -3.67 -1.09 0.91 -1.68 121.20 119.88 1n0f s ILE 128 Ca 0.00 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.27 1n0f s ILE 128 Cb 0.00 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1n0f s ILE 128 CO 0.00 -0.14 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.70 1n0f s VAL 129 N -1.80 1.69 -0.22 2.92 1.01 0.21 -1.39 120.40 122.81 1n0f s VAL 129 Ca 0.31 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1n0f s VAL 129 Cb -0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1n0f s VAL 129 CO 0.23 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 175.11 1n0f s LEU 130 N 0.80 3.55 0.01 3.92 1.43 0.20 0.22 118.68 128.80 1n0f s LEU 130 Ca -0.10 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1n0f s LEU 130 Cb -0.16 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1n0f s LEU 130 CO 0.01 0.04 -0.22 0.27 0.23 0.00 0.00 176.35 176.67 1n0f s ILE 131 N 1.18 2.44 0.29 -0.59 -4.36 -0.59 -0.57 121.20 119.00 1n0f s ILE 131 Ca 0.04 -1.13 -0.25 0.00 -0.26 0.00 0.00 60.65 59.05 1n0f s ILE 131 Cb -0.14 -1.94 -0.09 0.00 1.25 0.00 0.00 42.46 41.53 1n0f s ILE 131 CO 0.03 0.47 0.89 -0.83 0.24 0.00 0.00 174.94 175.74 1n0f s GLY 132 N -1.00 2.77 -0.10 6.27 0.00 0.19 -2.15 107.32 113.31 1n0f s GLY 132 Ca 0.12 0.44 0.15 0.00 0.00 0.00 0.00 44.72 45.43 1n0f s GLY 132 CO 0.02 0.87 1.16 -1.06 0.00 0.00 0.00 173.10 174.08 1n0f n GLN 133 N 0.67 0.81 0.00 2.90 1.13 0.95 -4.47 117.38 119.37 1n0f n GLN 133 Ca 0.01 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.64 1n0f n GLN 133 Cb 0.50 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.91 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 -0.53 0.00 -0.07 1.08 7.35 0.46 -3.69 117.46 122.06 1n0f n PHE 134 Ca 0.12 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.67 1n0f n PHE 134 Cb 0.82 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.59 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 0.65 -2.50 -2.13 3.32 -1.95 -2.69 116.42 111.12 1n0f h ASP 135 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 1n0f h ASP 135 Cb 0.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1n0f h ASP 135 CO 0.00 1.02 -0.08 0.00 -1.72 0.00 0.00 179.24 178.45 1n0f n HIS 136 N -4.33 -0.50 -4.38 4.55 1.44 -1.24 -4.77 115.22 105.98 1n0f n HIS 136 Ca -0.05 -0.72 -0.29 0.00 -2.01 0.00 0.00 57.72 54.65 1n0f n HIS 136 Cb 0.46 0.12 -0.12 0.00 0.12 0.00 0.00 29.99 30.57 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 2.47 -0.05 2.39 2.96 -0.49 -0.03 118.68 125.93 1n0f s LEU 137 Ca 0.10 -0.66 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1n0f s LEU 137 Cb 0.00 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.33 1n0f s LEU 137 CO 0.07 0.18 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.49 1n0f s GLU 138 N -2.04 1.92 -0.29 1.98 2.02 -0.91 -0.40 118.70 120.98 1n0f s GLU 138 Ca 0.15 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1n0f s GLU 138 Cb -0.10 -1.66 -0.00 0.00 0.10 0.00 0.00 34.13 32.46 1n0f s GLU 138 CO 0.07 0.27 0.09 0.42 0.02 0.00 0.00 175.26 176.14 1n0f s ILE 139 N -0.01 4.15 0.31 -1.63 1.01 -0.36 -1.54 121.20 123.13 1n0f s ILE 139 Ca -0.04 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1n0f s ILE 139 Cb -0.12 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1n0f s ILE 139 CO 0.02 0.14 -0.03 0.26 0.00 0.00 0.00 174.94 175.33 1n0f s TRP 140 N 1.55 2.53 0.07 3.97 0.52 0.13 -4.23 118.94 123.48 1n0f s TRP 140 Ca 0.04 -0.36 -0.26 0.00 0.02 0.00 0.00 56.10 55.54 1n0f s TRP 140 Cb -0.17 -1.32 -0.06 0.00 -1.15 0.00 0.00 33.47 30.78 1n0f s TRP 140 CO 0.03 0.56 0.80 0.34 0.02 0.00 0.00 176.95 178.70 1n0f s ASP 141 N -3.66 7.27 0.20 2.95 2.15 -1.26 -0.62 116.67 123.70 1n0f s ASP 141 Ca 0.33 1.52 -0.10 0.00 0.43 0.00 0.00 52.55 54.72 1n0f s ASP 141 Cb -0.03 -2.49 0.27 0.00 -0.30 0.00 0.00 42.92 40.37 1n0f s ASP 141 CO 0.19 0.02 1.71 0.50 -0.17 0.00 0.00 175.17 177.42 1n0f h LYS 142 N 5.52 0.27 0.40 4.34 3.64 -1.62 -1.21 116.57 127.90 1n0f h LYS 142 Ca -0.44 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1n0f h LYS 142 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1n0f h LYS 142 CO 0.71 0.18 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.65 1n0f h LYS 143 N 0.28 -0.52 -0.56 1.90 1.63 -1.93 -1.80 116.57 115.57 1n0f h LYS 143 Ca 0.30 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.25 1n0f h LYS 143 Cb 0.42 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.08 1n0f h LYS 143 CO -0.37 -0.25 0.03 -0.07 -3.45 0.00 0.00 179.45 175.34 1n0f h LEU 144 N -0.72 -0.19 -0.78 5.20 4.07 -1.91 0.11 115.31 121.08 1n0f h LEU 144 Ca -0.05 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1n0f h LEU 144 Cb 0.51 0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.43 1n0f h LEU 144 CO 0.09 -0.07 0.47 0.22 -1.08 0.00 0.00 178.44 178.07 1n0f h TYR 145 N 0.15 1.03 -0.27 1.13 3.20 -1.19 0.17 116.97 121.19 1n0f h TYR 145 Ca 0.29 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 1n0f h TYR 145 Cb 0.45 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1n0f h TYR 145 CO -0.32 0.69 -0.29 0.93 -1.64 0.00 0.00 178.16 177.53 1n0f h GLU 146 N 1.07 0.55 -0.36 1.82 5.08 -0.37 -1.17 114.58 121.20 1n0f h GLU 146 Ca 0.28 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1n0f h GLU 146 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1n0f h GLU 146 CO -0.05 0.78 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.08 1n0f h ASP 147 N 0.48 0.82 -0.42 1.42 3.32 -0.35 0.66 116.42 122.35 1n0f h ASP 147 Ca 0.06 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.76 1n0f h ASP 147 Cb 0.75 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1n0f h ASP 147 CO 0.06 1.06 0.04 0.22 -1.72 0.00 0.00 179.24 178.90 1n0f h TYR 148 N 0.58 0.05 -0.43 4.55 3.20 -0.24 0.15 116.97 124.83 1n0f h TYR 148 Ca 0.08 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1n0f h TYR 148 Cb 0.77 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1n0f h TYR 148 CO 0.06 -0.04 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.46 1n0f h LEU 149 N 0.15 0.75 -0.52 2.82 4.07 -1.12 -2.85 115.31 118.61 1n0f h LEU 149 Ca 0.21 -0.32 0.10 0.00 0.08 0.00 0.00 57.88 57.95 1n0f h LEU 149 Cb 0.28 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 41.74 1n0f h LEU 149 CO -0.31 0.88 0.08 0.00 -1.08 0.00 0.00 178.44 178.01 1n0f h ALA 150 N 0.89 0.57 -3.00 1.53 0.00 0.17 -3.39 119.26 116.03 1n0f h ALA 150 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1n0f h ALA 150 Cb 0.51 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n0f h ALA 150 CO 0.02 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.03 1n0f n ASN 151 N -5.15 0.00 -1.96 0.00 3.02 0.41 -4.97 115.26 106.61 1n0f n ASN 151 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1n0f n ASN 151 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 -9.36 -3.10 6.41 3.41 -1.22 -4.90 113.62 104.85 1n0f n SER 152 Ca 0.00 1.38 -0.17 0.00 -0.26 0.00 0.00 58.87 59.82 1n0f n SER 152 Cb 0.00 -5.12 0.15 0.00 -0.26 0.00 0.00 64.21 58.97 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 1.07 -2.69 -2.08 4.33 1.02 -1.26 -4.98 120.64 116.05 1n0f n GLU 153 Ca 0.00 -0.92 -0.35 0.00 -0.02 0.00 0.00 57.16 55.88 1n0f n GLU 153 Cb 0.00 -0.96 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.96 5.46 0.30 1.62 1.04 -1.26 -4.83 113.70 113.08 1n0f s SER 154 Ca 0.39 2.15 0.04 0.00 0.48 0.00 0.00 55.95 59.01 1n0f s SER 154 Cb -0.05 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.13 1n0f s SER 154 CO 0.31 -1.39 1.85 0.25 0.98 0.00 0.00 173.24 175.23 1n0f h LEU 155 N 0.81 0.85 0.01 2.42 5.85 -1.99 0.11 115.31 123.38 1n0f h LEU 155 Ca -0.49 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1n0f h LEU 155 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1n0f h LEU 155 CO 0.56 0.45 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.77 1n0f h GLU 156 N 0.91 -0.02 -0.62 1.25 3.07 -1.99 -1.59 114.58 115.59 1n0f h GLU 156 Ca 0.48 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.45 1n0f h GLU 156 Cb 0.55 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.38 1n0f h GLU 156 CO -0.25 0.60 0.19 1.15 -1.40 0.00 0.00 179.01 179.30 1n0f h THR 157 N -0.66 0.69 -0.19 1.13 2.02 -1.71 -0.45 112.91 113.74 1n0f h THR 157 Ca -0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1n0f h THR 157 Cb 0.63 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1n0f h THR 157 CO 0.00 0.06 0.01 0.58 0.37 0.00 0.00 175.52 176.55 1n0f h VAL 158 N 0.33 1.24 -0.88 3.16 2.07 -0.88 -3.22 116.25 118.08 1n0f h VAL 158 Ca 0.32 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1n0f h VAL 158 Cb 0.46 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1n0f h VAL 158 CO -0.37 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.05 1n0f h ALA 159 N 0.80 1.13 -0.61 1.67 0.00 -0.33 -2.01 119.26 119.90 1n0f h ALA 159 Ca 0.06 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1n0f h ALA 159 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1n0f h ALA 159 CO 0.01 0.50 0.48 1.49 0.00 0.00 0.00 179.25 181.72 1n0f h GLU 160 N 1.18 0.00 0.00 0.00 4.57 -1.13 -0.89 114.58 118.31 1n0f h GLU 160 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1n0f h GLU 160 Cb -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1n0f h GLU 160 CO -0.08 0.00 -0.32 0.00 -1.18 0.00 0.00 179.01 177.43 1n0f h ARG 161 N 0.00 0.00 0.00 1.92 3.08 -1.45 -3.52 114.38 114.41 1n0f h ARG 161 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1n0f h ARG 161 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1n0f h ARG 161 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57