#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0n n GLY 2 N 0.00 4.23 0.17 -5.12 0.00 -1.26 -5.02 105.19 98.19 2i0n n GLY 2 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.28 2i0n n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n h PRO 3 N 0.00 0.00 -6.50 1.61 0.13 -1.79 -3.32 132.00 122.13 2i0n h PRO 3 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2i0n h PRO 3 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2i0n h PRO 3 CO 0.00 0.46 1.06 -0.51 -0.23 0.00 0.00 178.00 178.77 2i0n s LEU 4 N -7.24 3.48 0.00 1.56 2.01 -1.26 -4.05 118.68 113.18 2i0n s LEU 4 Ca -0.00 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.57 2i0n s LEU 4 Cb 0.11 -3.26 0.00 0.00 0.01 0.00 0.00 46.19 43.05 2i0n s LEU 4 CO 0.71 -1.56 0.00 0.61 1.01 0.00 0.00 176.35 177.13 2i0n n GLY 5 N 5.14 2.04 3.96 -3.19 0.00 -1.26 -5.02 105.19 106.86 2i0n n GLY 5 Ca 0.13 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2i0n n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i0n s SER 6 N -0.43 5.12 0.00 1.61 0.15 -1.25 -5.07 113.70 113.83 2i0n s SER 6 Ca 0.00 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2i0n s SER 6 Cb 0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 2i0n s SER 6 CO 0.00 -1.30 0.12 -0.81 1.20 0.00 0.00 173.24 172.45 2i0n n PRO 7 N -2.54 0.00 -2.68 5.44 -0.04 -1.26 -4.45 135.00 129.46 2i0n n PRO 7 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2i0n n PRO 7 Cb 0.60 -0.51 0.09 0.00 -0.04 0.00 0.00 33.50 33.64 2i0n n PRO 7 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2i0n n GLU 8 N -0.33 0.48 -2.83 0.54 0.28 -1.26 -4.49 120.64 113.03 2i0n n GLU 8 Ca 0.00 -1.14 -0.02 0.00 -0.16 0.00 0.00 57.16 55.84 2i0n n GLU 8 Cb 0.00 -0.39 -0.02 0.00 1.43 0.00 0.00 31.44 32.47 2i0n n GLU 8 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2i0n n PHE 9 N 0.26 -2.75 -1.33 -1.84 3.72 -1.26 -4.77 117.46 109.49 2i0n n PHE 9 Ca -0.05 1.45 0.16 0.00 -0.05 0.00 0.00 57.45 58.97 2i0n n PHE 9 Cb 0.73 -2.89 -0.06 0.00 -0.94 0.00 0.00 39.48 36.32 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2i0n n ALA 10 N 1.57 -3.58 0.00 4.37 0.00 -1.26 -4.99 120.51 116.61 2i0n n ALA 10 Ca -0.16 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2i0n n ALA 10 Cb 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2i0n n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i0n n LYS 11 N -4.00 0.00 -2.68 0.00 4.81 -1.24 -5.00 118.16 110.04 2i0n n LYS 11 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 2i0n n LYS 11 Cb 0.66 -0.09 -0.00 0.00 0.02 0.00 0.00 35.03 35.62 2i0n n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2i0n n TYR 12 N -1.35 -0.96 -3.58 5.64 4.02 -1.10 -3.19 117.16 116.64 2i0n n TYR 12 Ca 0.00 -1.15 -0.09 0.00 -0.01 0.00 0.00 57.90 56.65 2i0n n TYR 12 Cb 0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 39.34 39.06 2i0n n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i0n s ALA 13 N -2.39 -1.95 -0.25 -0.72 0.00 -0.91 -0.77 121.76 114.77 2i0n s ALA 13 Ca 0.14 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 2i0n s ALA 13 Cb -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.43 2i0n s ALA 13 CO 0.09 -0.34 -0.09 0.50 0.00 0.00 0.00 175.76 175.93 2i0n s ARG 14 N -1.29 2.67 -0.10 0.00 6.06 -0.44 0.12 118.95 125.97 2i0n s ARG 14 Ca 0.00 -1.08 -0.36 0.00 -2.50 0.00 0.00 55.73 51.79 2i0n s ARG 14 Cb -0.01 -2.92 -0.14 0.00 0.06 0.00 0.00 34.95 31.95 2i0n s ARG 14 CO -0.01 -0.44 1.74 0.00 -2.50 0.00 0.00 175.30 174.10 2i0n n ALA 15 N 4.60 0.40 1.08 6.12 0.00 0.50 -0.01 120.51 133.19 2i0n n ALA 15 Ca -0.16 0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.78 2i0n n ALA 15 Cb 0.46 -2.35 0.64 0.00 0.00 0.00 0.00 19.45 18.20 2i0n n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i0n n LEU 16 N 5.40 0.00 -3.53 0.00 7.99 -1.04 -1.66 117.00 124.16 2i0n n LEU 16 Ca 0.23 0.44 -0.08 0.00 -0.01 0.00 0.00 56.01 56.59 2i0n n LEU 16 Cb 0.23 -0.44 -0.02 0.00 -0.11 0.00 0.00 43.42 43.07 2i0n n LEU 16 CO 0.73 -0.01 0.76 -1.59 -1.51 0.00 0.00 177.39 175.77 2i0n s LYS 17 N -2.89 0.68 0.39 3.23 -2.85 -1.26 -4.38 119.74 112.67 2i0n s LYS 17 Ca 0.17 -0.20 -0.27 0.00 -1.00 0.00 0.00 55.97 54.67 2i0n s LYS 17 Cb 0.19 0.32 -0.11 0.00 -2.06 0.00 0.00 37.83 36.17 2i0n s LYS 17 CO 0.50 -0.29 1.44 -0.40 0.10 0.00 0.00 175.35 176.70 2i0n n ASP 18 N -0.06 3.47 -4.27 0.03 5.68 -1.26 -3.91 116.55 116.23 2i0n n ASP 18 Ca -0.07 1.19 -0.30 0.00 -0.50 0.00 0.00 54.79 55.11 2i0n n ASP 18 Cb 0.60 -1.59 -0.16 0.00 -1.14 0.00 0.00 41.12 38.83 2i0n n ASP 18 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2i0n s TYR 19 N -1.14 2.19 0.14 2.11 5.04 0.12 -4.81 117.35 121.00 2i0n s TYR 19 Ca 0.56 -0.48 0.08 0.00 -2.44 0.00 0.00 57.07 54.79 2i0n s TYR 19 Cb -0.48 -1.42 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 2i0n s TYR 19 CO 0.62 -0.08 -0.07 -0.80 -1.34 0.00 0.00 175.55 173.87 2i0n s ASN 20 N -0.45 4.47 -0.02 4.32 -0.87 -1.26 -2.69 114.94 118.44 2i0n s ASN 20 Ca 0.06 -0.44 -0.08 0.00 -1.57 0.00 0.00 52.86 50.83 2i0n s ASN 20 Cb -0.10 -0.86 0.01 0.00 -0.02 0.00 0.00 41.25 40.28 2i0n s ASN 20 CO 0.00 0.14 0.18 0.68 -2.57 0.00 0.00 177.10 175.53 2i0n s VAL 21 N -1.48 0.06 -0.47 1.60 -7.23 -1.26 -4.97 120.40 106.66 2i0n s VAL 21 Ca 0.24 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 2i0n s VAL 21 Cb -0.10 -0.42 0.16 0.00 0.56 0.00 0.00 36.38 36.59 2i0n s VAL 21 CO 0.15 -0.26 0.35 -0.44 -0.31 0.00 0.00 175.10 174.59 2i0n s SER 22 N -0.97 2.48 0.00 4.85 0.01 -1.26 -4.98 113.70 113.83 2i0n s SER 22 Ca -0.11 -3.10 0.00 0.00 1.31 0.00 0.00 55.95 54.05 2i0n s SER 22 Cb -0.06 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2i0n s SER 22 CO 0.02 -0.18 0.00 0.47 0.41 0.00 0.00 173.24 173.96 2i0n n ASP 23 N 2.85 0.00 0.00 2.44 8.00 -1.26 -5.10 116.55 123.48 2i0n n ASP 23 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2i0n n ASP 23 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2i0n n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2i0n n THR 24 N -0.38 0.00 -2.56 -3.53 -2.24 -1.26 -5.00 114.28 99.31 2i0n n THR 24 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2i0n n THR 24 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 2i0n n THR 24 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2i0n n SER 25 N -1.06 3.20 -4.90 3.42 7.64 -1.26 -5.08 113.62 115.57 2i0n n SER 25 Ca 0.00 -3.24 -0.22 0.00 1.01 0.00 0.00 58.87 56.42 2i0n n SER 25 Cb 0.00 -0.49 0.06 0.00 -1.01 0.00 0.00 64.21 62.77 2i0n n SER 25 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2i0n s LEU 26 N -3.35 3.19 -0.67 -3.43 2.01 -1.26 -3.77 118.68 111.41 2i0n s LEU 26 Ca 0.38 -0.15 0.05 0.00 0.01 0.00 0.00 54.13 54.42 2i0n s LEU 26 Cb 0.43 -2.57 0.16 0.00 0.01 0.00 0.00 46.19 44.22 2i0n s LEU 26 CO -0.08 -1.33 0.46 -0.22 1.01 0.00 0.00 176.35 176.18 2i0n s LEU 27 N -4.85 4.59 0.34 1.79 0.20 -1.07 -3.95 118.68 115.72 2i0n s LEU 27 Ca 0.60 -3.71 -0.27 0.00 0.69 0.00 0.00 54.13 51.45 2i0n s LEU 27 Cb -0.09 -1.58 -0.09 0.00 -0.43 0.00 0.00 46.19 44.00 2i0n s LEU 27 CO 0.40 -0.11 1.05 -2.16 -0.29 0.00 0.00 176.35 175.24 2i0n s PRO 28 N -1.23 4.42 0.36 0.98 0.04 -1.26 -4.78 135.00 133.52 2i0n s PRO 28 Ca 0.24 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 2i0n s PRO 28 Cb -0.07 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2i0n s PRO 28 CO -0.15 0.06 0.60 -0.59 0.04 0.00 0.00 177.00 176.97 2i0n s PHE 29 N -1.45 0.66 0.32 0.56 -0.12 -1.09 -4.95 117.98 111.91 2i0n s PHE 29 Ca 0.51 -1.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.40 2i0n s PHE 29 Cb -0.26 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2i0n s PHE 29 CO 0.32 -1.31 0.16 0.21 -0.05 0.00 0.00 175.22 174.56 2i0n s LYS 30 N -2.80 2.49 1.02 1.99 2.20 -1.26 0.10 119.74 123.48 2i0n s LYS 30 Ca 0.24 -1.43 -0.16 0.00 -0.36 0.00 0.00 55.97 54.26 2i0n s LYS 30 Cb -0.02 -2.28 0.09 0.00 -1.51 0.00 0.00 37.83 34.11 2i0n s LYS 30 CO 0.16 0.16 -0.06 -2.13 -0.36 0.00 0.00 175.35 173.13 2i0n n ARG 31 N -1.17 -1.64 -3.70 4.03 0.63 -1.25 -3.04 116.66 110.51 2i0n n ARG 31 Ca -0.04 -0.48 -0.25 0.00 -0.92 0.00 0.00 57.85 56.16 2i0n n ARG 31 Cb 0.60 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 32.00 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2i0n n ASN 32 N -0.52 -0.24 -4.54 6.15 0.23 -0.67 -4.79 115.26 110.88 2i0n n ASN 32 Ca 0.03 -0.88 -0.30 0.00 -0.53 0.00 0.00 54.58 52.90 2i0n n ASN 32 Cb 0.48 -1.11 -0.11 0.00 -2.08 0.00 0.00 39.78 36.96 2i0n n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2i0n s ASP 33 N -3.31 4.20 -0.47 0.53 2.15 -1.11 -4.92 116.67 113.74 2i0n s ASP 33 Ca 0.27 -0.41 -0.19 0.00 0.43 0.00 0.00 52.55 52.65 2i0n s ASP 33 Cb -0.16 -0.76 0.04 0.00 -0.30 0.00 0.00 42.92 41.74 2i0n s ASP 33 CO 0.70 0.20 0.59 -0.63 -0.17 0.00 0.00 175.17 175.87 2i0n s ILE 34 N -1.12 4.90 0.20 4.11 -1.09 -1.26 0.19 121.20 127.12 2i0n s ILE 34 Ca 0.19 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.24 2i0n s ILE 34 Cb -0.11 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 2i0n s ILE 34 CO 0.11 -0.66 0.54 -0.63 -1.23 0.00 0.00 174.94 173.07 2i0n s ILE 35 N 2.60 4.92 -1.02 2.92 1.01 0.33 -4.77 121.20 127.20 2i0n s ILE 35 Ca 0.17 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.29 2i0n s ILE 35 Cb -0.17 -3.65 0.25 0.00 0.01 0.00 0.00 42.46 38.90 2i0n s ILE 35 CO 0.15 0.03 1.00 -0.89 0.00 0.00 0.00 174.94 175.23 2i0n s THR 36 N -1.70 5.83 -0.59 2.92 2.01 0.13 -2.14 115.64 122.10 2i0n s THR 36 Ca 0.44 -3.05 -0.26 0.00 0.31 0.00 0.00 61.69 59.13 2i0n s THR 36 Cb -0.12 -4.57 -0.10 0.00 0.01 0.00 0.00 72.50 67.72 2i0n s THR 36 CO 0.20 -1.15 2.44 -0.38 -0.69 0.00 0.00 174.62 175.04 2i0n n ILE 37 N 3.23 -0.07 0.25 1.82 5.41 -1.19 -2.37 119.36 126.44 2i0n n ILE 37 Ca 0.21 -0.69 0.08 0.00 1.00 0.00 0.00 62.75 63.35 2i0n n ILE 37 Cb 0.42 -2.46 -0.12 0.00 -0.71 0.00 0.00 39.64 36.78 2i0n n ILE 37 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2i0n n THR 38 N 8.04 0.00 -3.57 1.39 5.66 -1.18 -4.48 114.28 120.14 2i0n n THR 38 Ca 0.41 -0.30 -0.02 0.00 -3.05 0.00 0.00 64.05 61.10 2i0n n THR 38 Cb 0.48 0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 69.62 2i0n n THR 38 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2i0n s PHE 39 N -2.97 -1.29 0.00 1.09 5.36 -0.30 -5.01 117.98 114.86 2i0n s PHE 39 Ca -0.02 2.08 0.00 0.00 -0.96 0.00 0.00 56.93 58.03 2i0n s PHE 39 Cb 0.11 0.68 0.00 0.00 -0.34 0.00 0.00 43.02 43.47 2i0n s PHE 39 CO 0.69 -0.67 0.00 1.63 -1.46 0.00 0.00 175.22 175.41 2i0n n LYS 40 N 5.44 0.52 -0.37 10.12 5.02 -1.26 0.67 118.16 138.30 2i0n n LYS 40 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2i0n n LYS 40 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2i0n n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2i0n n ASP 41 N -1.92 0.00 0.05 4.39 2.03 -1.22 -4.58 116.55 115.30 2i0n n ASP 41 Ca 0.00 -0.38 -0.08 0.00 0.52 0.00 0.00 54.79 54.85 2i0n n ASP 41 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2i0n n ASP 41 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2i0n h GLN 42 N 0.00 0.03 0.00 -0.67 4.15 -1.99 -3.33 115.11 113.30 2i0n h GLN 42 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2i0n h GLN 42 Cb 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2i0n h GLN 42 CO 0.00 0.97 -0.29 -0.85 -1.93 0.00 0.00 178.83 176.72 2i0n n GLU 43 N -3.33 1.45 -3.90 1.69 0.00 -1.26 -4.97 120.64 110.32 2i0n n GLU 43 Ca -0.03 -2.99 -0.28 0.00 0.00 0.00 0.00 57.16 53.87 2i0n n GLU 43 Cb 0.96 -1.56 0.02 0.00 0.00 0.00 0.00 31.44 30.86 2i0n n GLU 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2i0n n ASN 44 N -1.24 -3.06 -0.12 -1.84 5.03 -1.25 -4.89 115.26 107.88 2i0n n ASN 44 Ca 0.18 -0.84 -0.24 0.00 0.87 0.00 0.00 54.58 54.54 2i0n n ASN 44 Cb 0.67 -3.70 -0.10 0.00 -1.02 0.00 0.00 39.78 35.63 2i0n n ASN 44 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2i0n n LYS 45 N -4.51 0.57 -3.73 3.52 4.81 -1.26 -4.94 118.16 112.62 2i0n n LYS 45 Ca -0.09 0.39 -0.15 0.00 -0.87 0.00 0.00 58.31 57.58 2i0n n LYS 45 Cb 0.58 -1.59 -0.15 0.00 0.02 0.00 0.00 35.03 33.89 2i0n n LYS 45 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 2i0n s TRP 46 N -2.47 -0.11 0.82 5.64 1.48 -1.26 -2.24 118.94 120.80 2i0n s TRP 46 Ca -0.33 0.42 -0.06 0.00 -1.06 0.00 0.00 56.10 55.06 2i0n s TRP 46 Cb 0.10 -0.18 0.17 0.00 -1.16 0.00 0.00 33.47 32.41 2i0n s TRP 46 CO 0.51 -0.17 1.12 1.19 -4.06 0.00 0.00 176.95 175.54 2i0n n PHE 47 N 4.50 -3.34 -3.70 1.66 3.72 -0.51 -3.44 117.46 116.36 2i0n n PHE 47 Ca -0.21 -1.53 -0.18 0.00 -0.05 0.00 0.00 57.45 55.48 2i0n n PHE 47 Cb 0.51 -0.84 -0.17 0.00 -0.94 0.00 0.00 39.48 38.04 2i0n n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2i0n s MET 48 N -5.40 -0.03 0.00 -1.08 -1.94 0.21 -0.66 119.30 110.40 2i0n s MET 48 Ca 0.69 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.05 2i0n s MET 48 Cb -0.03 -0.37 0.00 0.00 2.01 0.00 0.00 34.83 36.44 2i0n s MET 48 CO 0.47 -0.28 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 2i0n n GLY 49 N 4.97 4.70 3.60 -0.03 0.00 -0.89 -1.14 105.19 116.39 2i0n n GLY 49 Ca -0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 2i0n n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i0n s GLN 50 N 4.07 1.81 0.00 1.61 -0.21 -1.00 -2.57 119.66 123.37 2i0n s GLN 50 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.91 2i0n s GLN 50 Cb 0.00 0.49 0.00 0.00 1.00 0.00 0.00 33.01 34.50 2i0n s GLN 50 CO 0.00 -0.78 0.00 1.47 -2.12 0.00 0.00 175.29 173.86 2i0n n LEU 51 N -0.48 0.00 -4.52 2.90 -0.00 -0.63 0.22 117.00 114.49 2i0n n LEU 51 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.81 2i0n n LEU 51 Cb 0.61 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.87 2i0n n LEU 51 CO 0.26 0.00 1.72 0.59 -0.00 0.00 0.00 177.39 179.95 2i0n n ASN 52 N 0.00 -0.11 -3.83 1.45 3.02 -1.26 -2.64 115.26 111.88 2i0n n ASN 52 Ca 0.00 -0.96 -0.29 0.00 -0.03 0.00 0.00 54.58 53.30 2i0n n ASN 52 Cb 0.00 -1.01 0.01 0.00 -0.61 0.00 0.00 39.78 38.18 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i0n n GLY 53 N 6.04 -0.59 3.52 7.41 0.00 -1.26 -4.97 105.19 115.34 2i0n n GLY 53 Ca 0.59 0.29 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 2i0n n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i0n s LYS 54 N -6.33 1.04 -0.11 1.61 -0.14 -1.08 -5.16 119.74 109.57 2i0n s LYS 54 Ca 0.23 0.23 -0.16 0.00 -1.36 0.00 0.00 55.97 54.92 2i0n s LYS 54 Cb -0.09 0.49 0.04 0.00 -1.68 0.00 0.00 37.83 36.59 2i0n s LYS 54 CO 0.88 -0.33 0.40 -2.00 -0.76 0.00 0.00 175.35 173.54 2i0n s GLU 55 N -1.25 0.58 0.00 1.68 2.12 -1.26 -1.61 118.70 118.95 2i0n s GLU 55 Ca -0.10 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2i0n s GLU 55 Cb -0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2i0n s GLU 55 CO 0.09 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2i0n n GLY 56 N 2.26 -0.57 3.59 -1.50 0.00 -1.06 -4.04 105.19 103.87 2i0n n GLY 56 Ca -0.16 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 2i0n n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i0n s SER 57 N -4.00 3.46 -0.29 1.61 0.15 -1.25 -2.09 113.70 111.29 2i0n s SER 57 Ca 0.00 -1.43 -0.22 0.00 0.70 0.00 0.00 55.95 55.00 2i0n s SER 57 Cb 0.00 -0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.33 2i0n s SER 57 CO 0.00 -0.57 1.23 0.72 1.20 0.00 0.00 173.24 175.81 2i0n s PHE 58 N -2.91 -0.25 0.26 3.44 -0.71 0.16 -2.61 117.98 115.36 2i0n s PHE 58 Ca 0.31 0.58 -0.30 0.00 -1.04 0.00 0.00 56.93 56.47 2i0n s PHE 58 Cb 0.08 0.35 -0.11 0.00 -1.21 0.00 0.00 43.02 42.14 2i0n s PHE 58 CO 0.15 -0.12 1.51 -1.25 -1.34 0.00 0.00 175.22 174.17 2i0n s PRO 59 N 0.46 4.20 0.23 1.99 0.04 -1.26 -1.42 135.00 139.24 2i0n s PRO 59 Ca 0.01 2.42 0.16 0.00 0.04 0.00 0.00 61.00 63.63 2i0n s PRO 59 Cb -0.04 -3.08 0.85 0.00 0.04 0.00 0.00 34.50 32.27 2i0n s PRO 59 CO -0.12 -0.52 1.47 0.28 0.04 0.00 0.00 177.00 178.15 2i0n n VAL 60 N 2.37 1.29 -0.14 -0.36 0.31 -0.95 -2.69 118.33 118.17 2i0n n VAL 60 Ca 0.08 0.67 -0.10 0.00 -0.01 0.00 0.00 64.34 64.98 2i0n n VAL 60 Cb 0.39 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 2i0n n VAL 60 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2i0n h ASP 61 N 0.00 0.65 -1.86 4.52 5.19 -1.90 -3.23 116.42 119.79 2i0n h ASP 61 Ca 0.00 -0.28 -0.75 0.00 -0.62 0.00 0.00 57.03 55.39 2i0n h ASP 61 Cb 0.01 -0.17 -0.28 0.00 0.18 0.00 0.00 39.33 39.06 2i0n h ASP 61 CO 0.00 0.76 0.90 0.00 -3.12 0.00 0.00 179.24 177.78 2i0n n HIS 62 N -4.50 3.04 -3.62 4.55 1.44 -1.09 -4.92 115.22 110.11 2i0n n HIS 62 Ca -0.01 -2.45 -0.15 0.00 -2.01 0.00 0.00 57.72 53.11 2i0n n HIS 62 Cb 0.25 -1.12 -0.07 0.00 0.12 0.00 0.00 29.99 29.17 2i0n n HIS 62 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2i0n s VAL 63 N -5.09 0.00 0.42 0.61 -7.23 -1.22 -2.49 120.40 105.40 2i0n s VAL 63 Ca 0.53 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 2i0n s VAL 63 Cb 0.44 -0.96 -0.00 0.00 0.56 0.00 0.00 36.38 36.42 2i0n s VAL 63 CO -0.36 -0.00 0.61 -0.70 -0.31 0.00 0.00 175.10 174.34 2i0n s GLU 64 N 0.08 3.01 -0.18 4.82 2.12 0.98 -4.79 118.70 124.74 2i0n s GLU 64 Ca -0.02 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 2i0n s GLU 64 Cb -0.04 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2i0n s GLU 64 CO 0.03 -0.21 -0.07 0.42 -0.54 0.00 0.00 175.26 174.88 2i0n s ILE 65 N -2.44 3.31 -0.57 -3.70 -1.09 -1.26 -1.33 121.20 114.13 2i0n s ILE 65 Ca 0.49 -0.54 -0.17 0.00 -2.23 0.00 0.00 60.65 58.20 2i0n s ILE 65 Cb -0.10 -2.46 0.13 0.00 -1.58 0.00 0.00 42.46 38.44 2i0n s ILE 65 CO 0.35 0.47 0.56 -0.76 -1.23 0.00 0.00 174.94 174.33 2i0n s LEU 66 N 0.99 6.01 0.14 2.97 1.43 0.05 -4.87 118.68 125.39 2i0n s LEU 66 Ca -0.00 -1.74 0.25 0.00 -1.03 0.00 0.00 54.13 51.60 2i0n s LEU 66 Cb -0.15 -2.23 0.93 0.00 0.03 0.00 0.00 46.19 44.77 2i0n s LEU 66 CO -0.00 -0.91 1.76 0.18 0.23 0.00 0.00 176.35 177.61 2i0n n LEU 67 N 5.47 0.46 0.05 1.79 4.32 -1.26 -2.71 117.00 125.12 2i0n n LEU 67 Ca -0.12 0.56 0.07 0.00 -0.02 0.00 0.00 56.01 56.51 2i0n n LEU 67 Cb 0.41 -0.45 0.31 0.00 -1.62 0.00 0.00 43.42 42.08 2i0n n LEU 67 CO 0.54 -0.22 0.72 -0.24 -1.22 0.00 0.00 177.39 176.97 2i0n n SER 68 N -1.95 0.22 -1.15 -1.43 2.88 -1.26 -4.81 113.62 106.12 2i0n n SER 68 Ca 0.05 0.57 -0.15 0.00 -1.33 0.00 0.00 58.87 58.01 2i0n n SER 68 Cb 0.33 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 2i0n n SER 68 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2i0n n ASP 69 N -1.76 -5.40 -3.57 -3.46 -0.08 -1.18 -4.93 116.55 96.17 2i0n n ASP 69 Ca 0.02 0.37 -0.15 0.00 -1.51 0.00 0.00 54.79 53.52 2i0n n ASP 69 Cb 0.13 -4.22 -0.13 0.00 2.34 0.00 0.00 41.12 39.24 2i0n n ASP 69 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2i0n s VAL 70 N -2.36 -0.39 -0.35 5.18 -7.23 -1.26 -4.99 120.40 109.00 2i0n s VAL 70 Ca 0.00 0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 2i0n s VAL 70 Cb 0.00 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.39 2i0n s VAL 70 CO 0.00 -0.02 1.27 -2.16 -0.31 0.00 0.00 175.10 173.88 2i0n s PRO 71 N 2.39 3.84 0.00 4.82 0.04 -1.26 -4.96 135.00 139.87 2i0n s PRO 71 Ca 0.04 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2i0n s PRO 71 Cb -0.14 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2i0n s PRO 71 CO -0.10 -1.22 0.40 -0.35 0.04 0.00 0.00 177.00 175.76 2i0n n PRO 72 N 7.49 0.00 -1.53 0.56 -0.04 -1.26 -4.85 135.00 135.37 2i0n n PRO 72 Ca 0.14 0.39 -0.31 0.00 -0.04 0.00 0.00 63.50 63.69 2i0n n PRO 72 Cb 0.47 -1.12 0.06 0.00 -0.04 0.00 0.00 33.50 32.87 2i0n n PRO 72 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2i0n s PRO 73 N -1.58 2.79 -0.40 0.54 0.04 -1.26 -5.03 135.00 130.10 2i0n s PRO 73 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2i0n s PRO 73 Cb 0.00 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.81 2i0n s PRO 73 CO 0.00 -1.20 1.04 1.04 0.04 0.00 0.00 177.00 177.92 2i0n n GLN 74 N -3.20 0.37 -2.46 4.56 1.13 -1.26 -4.87 117.38 111.65 2i0n n GLN 74 Ca 0.08 -1.20 -0.36 0.00 -1.94 0.00 0.00 57.00 53.58 2i0n n GLN 74 Cb 0.54 -0.69 -0.03 0.00 0.11 0.00 0.00 30.24 30.16 2i0n n GLN 74 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2i0n s PRO 75 N 0.55 3.94 -0.20 -1.09 0.04 -1.26 -5.05 135.00 131.93 2i0n s PRO 75 Ca 0.28 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 2i0n s PRO 75 Cb 0.17 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2i0n s PRO 75 CO -0.13 -0.35 0.16 0.14 0.04 0.00 0.00 177.00 176.86 2i0n s VAL 76 N -1.70 -0.20 -1.05 -0.36 -7.23 -1.26 -4.92 120.40 103.68 2i0n s VAL 76 Ca 0.62 -0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 60.44 2i0n s VAL 76 Cb -0.23 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 2i0n s VAL 76 CO 0.28 -0.30 0.79 1.41 -0.31 0.00 0.00 175.10 176.97 2i0n n HIS 77 N 5.30 -2.15 -1.38 2.82 8.25 -1.26 -4.96 115.22 121.84 2i0n n HIS 77 Ca -0.06 0.63 -0.29 0.00 -0.26 0.00 0.00 57.72 57.74 2i0n n HIS 77 Cb 0.48 -3.58 0.16 0.00 1.12 0.00 0.00 29.99 28.18 2i0n n HIS 77 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2i0n s PRO 78 N -5.26 0.63 -0.04 -0.41 0.04 -1.26 -5.08 135.00 123.61 2i0n s PRO 78 Ca 0.38 0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 2i0n s PRO 78 Cb -0.12 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2i0n s PRO 78 CO 0.83 -2.55 0.12 0.08 0.04 0.00 0.00 177.00 175.52 2i0n s VAL 79 N -3.17 0.01 0.00 -0.36 1.01 -1.26 -5.27 120.40 111.37 2i0n s VAL 79 Ca 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2i0n s VAL 79 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2i0n s VAL 79 CO 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.60