#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 0.31 0.13 3.03 0.00 -1.26 -4.87 105.19 102.54 2i0n n GLY 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.08 -7.31 1.61 0.13 -2.12 -3.45 132.00 120.95 2i0n h PRO 3 Ca 0.00 -0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.59 2i0n h PRO 3 Cb 0.00 0.01 0.17 0.00 0.13 0.00 0.00 31.00 31.31 2i0n h PRO 3 CO 0.00 0.74 0.19 -1.17 -0.23 0.00 0.00 178.00 177.53 2i0n s LEU 4 N -7.56 1.84 0.00 1.56 2.96 -1.26 -5.01 118.68 111.20 2i0n s LEU 4 Ca -0.02 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 2i0n s LEU 4 Cb 0.12 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2i0n s LEU 4 CO 0.79 -3.10 0.00 0.61 -1.32 0.00 0.00 176.35 173.32 2i0n n GLY 5 N -0.69 1.44 2.19 7.98 0.00 -1.26 -4.93 105.19 109.93 2i0n n GLY 5 Ca 0.06 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2i0n n GLY 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i0n n SER 6 N 0.00 0.64 -4.75 1.61 3.41 -1.26 -5.11 113.62 108.17 2i0n n SER 6 Ca 0.00 -2.91 -0.41 0.00 -0.26 0.00 0.00 58.87 55.29 2i0n n SER 6 Cb 0.00 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 2i0n n SER 6 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2i0n s PRO 7 N -2.04 4.56 -0.28 4.33 0.04 -1.26 -4.31 135.00 136.04 2i0n s PRO 7 Ca 0.38 1.83 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2i0n s PRO 7 Cb 0.29 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.62 2i0n s PRO 7 CO -0.09 0.06 0.24 0.39 0.04 0.00 0.00 177.00 177.64 2i0n n GLU 8 N 1.92 -2.20 -1.64 4.56 1.02 -1.26 -4.79 120.64 118.25 2i0n n GLU 8 Ca 0.02 1.93 -0.46 0.00 -0.02 0.00 0.00 57.16 58.62 2i0n n GLU 8 Cb 0.45 -3.82 -0.03 0.00 -0.02 0.00 0.00 31.44 28.01 2i0n n GLU 8 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2i0n n PHE 9 N 0.49 1.86 -3.15 -0.32 1.16 -1.26 -4.95 117.46 111.28 2i0n n PHE 9 Ca 0.01 0.52 0.06 0.00 -1.87 0.00 0.00 57.45 56.17 2i0n n PHE 9 Cb 0.34 -2.39 -0.02 0.00 -1.61 0.00 0.00 39.48 35.80 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2i0n s ALA 10 N -0.17 -3.85 0.04 1.98 0.00 -1.26 -4.83 121.76 113.67 2i0n s ALA 10 Ca 0.69 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 2i0n s ALA 10 Cb -0.71 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2i0n s ALA 10 CO 0.51 -1.53 1.25 -0.22 0.00 0.00 0.00 175.76 175.77 2i0n h LYS 11 N 7.96 -0.42 0.00 0.00 3.64 -1.33 -3.48 116.57 122.95 2i0n h LYS 11 Ca -0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2i0n h LYS 11 Cb 1.18 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2i0n h LYS 11 CO -0.21 -0.28 0.00 0.66 -2.27 0.00 0.00 179.45 177.36 2i0n n TYR 12 N -3.72 0.00 -3.70 1.91 4.01 -1.11 -4.73 117.16 109.82 2i0n n TYR 12 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.58 2i0n n TYR 12 Cb 0.20 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.11 2i0n n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2i0n s ALA 13 N -1.40 -0.83 -0.30 -0.72 0.00 -0.85 -0.02 121.76 117.64 2i0n s ALA 13 Ca 0.00 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 2i0n s ALA 13 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2i0n s ALA 13 CO 0.00 -0.31 0.51 0.50 0.00 0.00 0.00 175.76 176.46 2i0n s ARG 14 N 1.54 3.89 -0.27 0.00 6.06 0.24 0.38 118.95 130.79 2i0n s ARG 14 Ca -0.08 0.13 -0.31 0.00 -2.50 0.00 0.00 55.73 52.97 2i0n s ARG 14 Cb -0.10 -3.71 -0.08 0.00 0.06 0.00 0.00 34.95 31.12 2i0n s ARG 14 CO -0.11 -0.47 2.21 0.00 -2.50 0.00 0.00 175.30 174.43 2i0n n ALA 15 N 5.63 1.49 0.55 6.12 0.00 0.51 0.50 120.51 135.33 2i0n n ALA 15 Ca -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.30 2i0n n ALA 15 Cb 0.49 -2.76 0.33 0.00 0.00 0.00 0.00 19.45 17.51 2i0n n ALA 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2i0n n LEU 16 N 10.89 0.00 -3.90 0.00 -0.00 -1.25 -1.70 117.00 121.05 2i0n n LEU 16 Ca 0.35 0.44 -0.08 0.00 -0.00 0.00 0.00 56.01 56.72 2i0n n LEU 16 Cb 0.36 -0.44 -0.03 0.00 -0.00 0.00 0.00 43.42 43.30 2i0n n LEU 16 CO 0.70 -0.22 0.34 -1.59 -0.00 0.00 0.00 177.39 176.62 2i0n s LYS 17 N -2.89 1.66 0.32 1.47 -2.85 -1.26 -4.38 119.74 111.81 2i0n s LYS 17 Ca 0.09 -1.08 -0.26 0.00 -1.00 0.00 0.00 55.97 53.72 2i0n s LYS 17 Cb 0.10 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.32 2i0n s LYS 17 CO 0.26 -0.73 0.97 0.16 0.10 0.00 0.00 175.35 176.11 2i0n s ASP 18 N -2.95 7.28 0.09 0.03 1.47 -1.26 -3.47 116.67 117.85 2i0n s ASP 18 Ca 0.15 1.92 0.06 0.00 1.18 0.00 0.00 52.55 55.86 2i0n s ASP 18 Cb -0.03 -2.59 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 2i0n s ASP 18 CO 0.07 -0.12 -0.16 -0.47 0.68 0.00 0.00 175.17 175.17 2i0n s TYR 19 N -1.54 1.42 0.23 2.11 5.04 0.93 -4.83 117.35 120.72 2i0n s TYR 19 Ca 0.50 -0.47 0.09 0.00 -2.44 0.00 0.00 57.07 54.75 2i0n s TYR 19 Cb -0.21 -0.78 -0.05 0.00 0.35 0.00 0.00 41.96 41.27 2i0n s TYR 19 CO 0.27 0.12 -0.15 0.54 -1.34 0.00 0.00 175.55 174.99 2i0n s ASN 20 N -1.95 2.87 0.22 4.32 4.22 -1.26 -2.67 114.94 120.68 2i0n s ASN 20 Ca 0.03 -1.04 -0.09 0.00 -2.14 0.00 0.00 52.86 49.61 2i0n s ASN 20 Cb -0.09 -0.18 -0.01 0.00 1.28 0.00 0.00 41.25 42.24 2i0n s ASN 20 CO 0.03 -0.13 0.36 0.68 -2.04 0.00 0.00 177.10 176.00 2i0n s VAL 21 N -2.85 0.02 -0.47 3.54 -7.23 -1.26 -4.93 120.40 107.21 2i0n s VAL 21 Ca 0.25 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 2i0n s VAL 21 Cb -0.01 -2.17 0.16 0.00 0.56 0.00 0.00 36.38 34.92 2i0n s VAL 21 CO 0.10 -0.07 0.35 -0.55 -0.31 0.00 0.00 175.10 174.62 2i0n s SER 22 N -3.03 2.45 0.00 4.85 0.15 -1.26 -5.04 113.70 111.82 2i0n s SER 22 Ca 0.25 -3.11 0.00 0.00 0.70 0.00 0.00 55.95 53.78 2i0n s SER 22 Cb 0.02 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2i0n s SER 22 CO 0.07 -0.17 0.00 0.47 1.20 0.00 0.00 173.24 174.81 2i0n n ASP 23 N 2.84 0.00 -0.01 5.45 8.00 -1.26 -5.03 116.55 126.54 2i0n n ASP 23 Ca 0.24 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.76 2i0n n ASP 23 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 2i0n n ASP 23 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2i0n n THR 24 N 1.10 0.00 -1.10 -3.53 -1.04 -1.26 -4.61 114.28 103.85 2i0n n THR 24 Ca 0.00 -0.42 0.07 0.00 -2.04 0.00 0.00 64.05 61.66 2i0n n THR 24 Cb 0.00 1.00 0.22 0.00 -1.82 0.00 0.00 70.33 69.74 2i0n n THR 24 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2i0n n SER 25 N -1.02 3.29 -5.00 8.00 2.88 -1.26 -4.98 113.62 115.52 2i0n n SER 25 Ca 0.01 -3.17 -0.18 0.00 -1.33 0.00 0.00 58.87 54.19 2i0n n SER 25 Cb 0.06 -0.54 0.02 0.00 -0.75 0.00 0.00 64.21 63.00 2i0n n SER 25 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2i0n s LEU 26 N -2.92 3.55 -0.50 2.46 2.01 -1.26 -2.32 118.68 119.70 2i0n s LEU 26 Ca 0.40 -0.31 0.03 0.00 0.01 0.00 0.00 54.13 54.26 2i0n s LEU 26 Cb 0.34 -2.70 0.15 0.00 0.01 0.00 0.00 46.19 43.98 2i0n s LEU 26 CO 0.06 -0.87 0.32 -0.22 1.01 0.00 0.00 176.35 176.64 2i0n s LEU 27 N -4.47 3.00 0.27 1.79 0.20 -0.17 -3.57 118.68 115.73 2i0n s LEU 27 Ca 0.56 -3.01 -0.29 0.00 0.69 0.00 0.00 54.13 52.07 2i0n s LEU 27 Cb -0.10 -1.08 -0.09 0.00 -0.43 0.00 0.00 46.19 44.48 2i0n s LEU 27 CO 0.35 -0.20 1.05 -2.16 -0.29 0.00 0.00 176.35 175.09 2i0n s PRO 28 N -0.15 4.70 0.33 0.98 0.04 -1.26 -4.75 135.00 134.89 2i0n s PRO 28 Ca 0.22 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 2i0n s PRO 28 Cb -0.14 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.21 2i0n s PRO 28 CO -0.08 0.30 0.53 -0.59 0.04 0.00 0.00 177.00 177.21 2i0n s PHE 29 N -1.18 0.76 0.41 0.56 -0.12 -1.09 -4.97 117.98 112.34 2i0n s PHE 29 Ca 0.44 -1.10 0.07 0.00 -0.05 0.00 0.00 56.93 56.30 2i0n s PHE 29 Cb -0.30 0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 2i0n s PHE 29 CO 0.38 -1.19 0.15 -1.59 -0.05 0.00 0.00 175.22 172.92 2i0n s LYS 30 N -3.10 2.18 1.07 1.99 -2.85 -1.26 -0.05 119.74 117.73 2i0n s LYS 30 Ca 0.26 -1.88 -0.16 0.00 -1.00 0.00 0.00 55.97 53.19 2i0n s LYS 30 Cb -0.01 -1.93 0.16 0.00 -2.06 0.00 0.00 37.83 33.98 2i0n s LYS 30 CO 0.16 -0.10 0.21 -2.13 0.10 0.00 0.00 175.35 173.60 2i0n n ARG 31 N -1.19 -2.19 -3.79 1.78 0.00 -1.23 -3.11 116.66 106.93 2i0n n ARG 31 Ca -0.02 -0.64 -0.25 0.00 -0.00 0.00 0.00 57.85 56.94 2i0n n ARG 31 Cb 0.65 -1.55 -0.07 0.00 0.00 0.00 0.00 32.46 31.49 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2i0n n ASN 32 N -1.53 0.07 -4.49 6.15 6.94 -0.69 -4.84 115.26 116.87 2i0n n ASN 32 Ca 0.05 -0.92 -0.31 0.00 -0.02 0.00 0.00 54.58 53.37 2i0n n ASN 32 Cb 0.46 -1.16 -0.12 0.00 -2.36 0.00 0.00 39.78 36.60 2i0n n ASN 32 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2i0n s ASP 33 N -3.59 4.00 -0.58 0.53 2.15 -1.10 -4.86 116.67 113.22 2i0n s ASP 33 Ca 0.19 -0.39 -0.19 0.00 0.43 0.00 0.00 52.55 52.60 2i0n s ASP 33 Cb -0.11 -0.70 0.10 0.00 -0.30 0.00 0.00 42.92 41.91 2i0n s ASP 33 CO 0.73 0.25 0.68 -0.63 -0.17 0.00 0.00 175.17 176.03 2i0n s ILE 34 N -0.98 4.87 -0.39 4.11 -1.09 -1.26 0.19 121.20 126.64 2i0n s ILE 34 Ca 0.16 -1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 57.33 2i0n s ILE 34 Cb -0.11 -4.46 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 2i0n s ILE 34 CO 0.07 -1.08 0.74 -0.63 -1.23 0.00 0.00 174.94 172.81 2i0n s ILE 35 N 2.56 4.75 -0.59 2.92 1.01 0.16 -4.75 121.20 127.25 2i0n s ILE 35 Ca 0.11 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 2i0n s ILE 35 Cb -0.25 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.02 2i0n s ILE 35 CO 0.06 -0.50 1.46 -0.89 0.00 0.00 0.00 174.94 175.07 2i0n s THR 36 N 3.06 3.71 -0.94 2.92 2.01 -1.08 -2.02 115.64 123.30 2i0n s THR 36 Ca 0.29 0.56 -0.26 0.00 0.31 0.00 0.00 61.69 62.59 2i0n s THR 36 Cb -0.13 -4.43 -0.15 0.00 0.01 0.00 0.00 72.50 67.79 2i0n s THR 36 CO 0.18 -1.23 2.20 -0.63 -0.69 0.00 0.00 174.62 174.45 2i0n s ILE 37 N 6.44 3.13 0.24 1.82 1.01 -1.26 -2.32 121.20 130.26 2i0n s ILE 37 Ca 0.52 -0.16 0.12 0.00 0.00 0.00 0.00 60.65 61.13 2i0n s ILE 37 Cb -0.11 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2i0n s ILE 37 CO 0.23 -0.25 1.62 0.71 0.00 0.00 0.00 174.94 177.25 2i0n h THR 38 N 7.16 1.35 -1.16 2.92 1.35 -1.85 -3.45 112.91 119.22 2i0n h THR 38 Ca 0.04 -2.06 0.16 0.00 -0.55 0.00 0.00 66.41 64.00 2i0n h THR 38 Cb 0.99 2.13 -0.25 0.00 -1.73 0.00 0.00 68.15 69.29 2i0n h THR 38 CO 1.06 0.57 0.28 0.12 -0.25 0.00 0.00 175.52 177.30 2i0n s PHE 39 N -3.57 -0.63 0.00 4.73 5.36 0.92 -5.00 117.98 119.78 2i0n s PHE 39 Ca -0.01 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 2i0n s PHE 39 Cb 0.12 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 2i0n s PHE 39 CO 0.75 -0.31 0.00 1.63 -1.46 0.00 0.00 175.22 175.83 2i0n n LYS 40 N 4.56 2.23 -4.17 10.12 5.02 -1.26 0.10 118.16 134.76 2i0n n LYS 40 Ca -0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.05 2i0n n LYS 40 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.46 2i0n n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i0n s ASP 41 N -1.00 0.28 0.30 4.39 1.01 -1.26 -4.50 116.67 115.89 2i0n s ASP 41 Ca 0.00 -1.34 0.09 0.00 0.71 0.00 0.00 52.55 52.00 2i0n s ASP 41 Cb 0.00 0.45 0.48 0.00 1.01 0.00 0.00 42.92 44.86 2i0n s ASP 41 CO 0.00 -0.94 1.70 -0.61 0.21 0.00 0.00 175.17 175.53 2i0n h GLN 42 N 2.49 0.12 0.00 8.23 4.15 -2.00 -2.46 115.11 125.64 2i0n h GLN 42 Ca -0.33 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2i0n h GLN 42 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2i0n h GLN 42 CO 0.48 0.57 0.00 0.39 -1.93 0.00 0.00 178.83 178.33 2i0n n GLU 43 N -3.98 0.02 -2.01 1.69 4.71 -1.26 -4.85 120.64 114.96 2i0n n GLU 43 Ca -0.02 0.19 -0.15 0.00 -0.01 0.00 0.00 57.16 57.17 2i0n n GLU 43 Cb 0.50 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.40 2i0n n GLU 43 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2i0n n ASN 44 N -1.48 -4.25 0.01 1.62 4.13 -0.93 -4.75 115.26 109.61 2i0n n ASN 44 Ca 0.05 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2i0n n ASN 44 Cb 0.20 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 2i0n n ASN 44 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2i0n n LYS 45 N -2.49 0.00 -3.11 3.52 4.81 -1.26 -4.73 118.16 114.90 2i0n n LYS 45 Ca -0.16 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.83 2i0n n LYS 45 Cb 0.57 -0.47 -0.04 0.00 0.02 0.00 0.00 35.03 35.10 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2i0n s TRP 46 N -2.00 2.99 -0.10 5.64 0.52 -1.26 -0.88 118.94 123.85 2i0n s TRP 46 Ca 0.00 -0.95 -0.24 0.00 0.02 0.00 0.00 56.10 54.92 2i0n s TRP 46 Cb 0.00 -4.01 -0.03 0.00 -1.15 0.00 0.00 33.47 28.28 2i0n s TRP 46 CO 0.00 -1.30 0.77 -0.06 0.02 0.00 0.00 176.95 176.38 2i0n s PHE 47 N 2.70 3.52 -0.61 -1.98 0.08 -0.36 -4.02 117.98 117.31 2i0n s PHE 47 Ca 0.12 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 58.21 2i0n s PHE 47 Cb -0.24 -2.90 0.06 0.00 -0.57 0.00 0.00 43.02 39.37 2i0n s PHE 47 CO 0.06 -0.04 0.95 1.41 -0.10 0.00 0.00 175.22 177.50 2i0n s MET 48 N 1.31 3.19 0.09 0.44 1.75 0.29 -2.07 119.30 124.30 2i0n s MET 48 Ca 0.39 -0.62 0.01 0.00 -1.25 0.00 0.00 55.69 54.21 2i0n s MET 48 Cb -0.18 -4.16 -0.00 0.00 2.84 0.00 0.00 34.83 33.33 2i0n s MET 48 CO 0.17 -1.68 0.02 0.41 -0.65 0.00 0.00 175.02 173.29 2i0n n GLY 49 N 5.25 3.97 3.57 2.11 0.00 -0.92 -0.05 105.19 119.12 2i0n n GLY 49 Ca -0.02 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 2i0n n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i0n s GLN 50 N -2.34 0.79 0.00 1.61 -0.44 -0.98 -1.35 119.66 116.94 2i0n s GLN 50 Ca 0.03 0.38 0.00 0.00 -2.50 0.00 0.00 55.36 53.27 2i0n s GLN 50 Cb 0.00 0.37 0.00 0.00 -1.64 0.00 0.00 33.01 31.75 2i0n s GLN 50 CO 0.02 -0.21 0.00 1.47 0.50 0.00 0.00 175.29 177.07 2i0n n LEU 51 N 1.31 0.00 -4.53 3.68 -0.00 0.21 -2.63 117.00 115.04 2i0n n LEU 51 Ca -0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.53 2i0n n LEU 51 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.91 2i0n n LEU 51 CO 0.15 0.00 1.98 -3.20 -0.00 0.00 0.00 177.39 176.32 2i0n n ASN 52 N 0.00 1.43 -1.65 1.45 5.15 -1.26 -2.39 115.26 117.98 2i0n n ASN 52 Ca 0.00 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.43 2i0n n ASN 52 Cb 0.00 -1.34 -0.03 0.00 -0.53 0.00 0.00 39.78 37.88 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i0n n GLY 53 N 6.22 0.40 3.19 8.20 0.00 -1.26 -4.91 105.19 117.03 2i0n n GLY 53 Ca 0.48 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.50 1.57 -0.28 1.61 3.01 -1.01 -5.11 119.74 116.03 2i0n s LYS 54 Ca 0.00 -0.68 -0.00 0.00 -1.01 0.00 0.00 55.97 54.28 2i0n s LYS 54 Cb 0.00 -1.50 0.17 0.00 -1.01 0.00 0.00 37.83 35.49 2i0n s LYS 54 CO 0.00 0.40 0.53 -2.00 0.51 0.00 0.00 175.35 174.79 2i0n s GLU 55 N -0.41 0.50 0.00 1.68 2.12 -1.26 0.65 118.70 121.98 2i0n s GLU 55 Ca 0.06 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.16 2i0n s GLU 55 Cb -0.08 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.50 2i0n s GLU 55 CO -0.00 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2i0n n GLY 56 N 5.41 0.66 3.23 -1.50 0.00 -0.46 -4.58 105.19 107.94 2i0n n GLY 56 Ca -0.01 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 2.00 0.56 -0.28 1.61 0.15 -0.98 -2.16 113.70 114.61 2i0n s SER 57 Ca 0.00 -1.48 -0.26 0.00 0.70 0.00 0.00 55.95 54.91 2i0n s SER 57 Cb 0.00 0.41 0.17 0.00 -1.71 0.00 0.00 66.02 64.89 2i0n s SER 57 CO 0.00 -0.89 1.27 0.72 1.20 0.00 0.00 173.24 175.54 2i0n s PHE 58 N -3.97 -0.20 0.20 3.44 -0.71 -0.88 -1.00 117.98 114.85 2i0n s PHE 58 Ca 0.39 0.47 -0.31 0.00 -1.04 0.00 0.00 56.93 56.44 2i0n s PHE 58 Cb 0.06 0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 42.22 2i0n s PHE 58 CO 0.16 -0.12 1.45 -1.25 -1.34 0.00 0.00 175.22 174.12 2i0n s PRO 59 N -0.16 4.28 0.00 1.99 0.04 -1.25 -1.22 135.00 138.67 2i0n s PRO 59 Ca 0.06 2.24 0.06 0.00 0.04 0.00 0.00 61.00 63.39 2i0n s PRO 59 Cb -0.04 -3.16 0.27 0.00 0.04 0.00 0.00 34.50 31.61 2i0n s PRO 59 CO -0.10 -0.45 1.06 0.28 0.04 0.00 0.00 177.00 177.83 2i0n n VAL 60 N 3.10 1.13 -0.11 -0.36 0.31 -0.06 -2.76 118.33 119.59 2i0n n VAL 60 Ca 0.09 0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 64.58 2i0n n VAL 60 Cb 0.40 -1.19 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2i0n n VAL 60 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2i0n h ASP 61 N 0.00 0.96 -1.53 4.52 3.58 -1.90 -3.27 116.42 118.78 2i0n h ASP 61 Ca 0.00 -0.43 -0.69 0.00 0.42 0.00 0.00 57.03 56.32 2i0n h ASP 61 Cb 0.06 -0.27 -0.32 0.00 1.72 0.00 0.00 39.33 40.53 2i0n h ASP 61 CO 0.00 1.22 0.52 0.00 -2.88 0.00 0.00 179.24 178.10 2i0n n HIS 62 N -4.06 3.10 -3.84 0.28 1.44 -1.11 -4.95 115.22 106.08 2i0n n HIS 62 Ca -0.02 -2.64 -0.13 0.00 -2.01 0.00 0.00 57.72 52.92 2i0n n HIS 62 Cb 0.54 -0.99 -0.14 0.00 0.12 0.00 0.00 29.99 29.52 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 -5.04 -0.01 0.27 0.61 -7.23 -1.24 -3.79 120.40 103.97 2i0n s VAL 63 Ca 0.55 0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.75 2i0n s VAL 63 Cb 0.45 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 37.28 2i0n s VAL 63 CO -0.23 0.02 0.48 -0.70 -0.31 0.00 0.00 175.10 174.37 2i0n s GLU 64 N 0.25 3.54 -0.18 4.82 2.12 0.18 -4.77 118.70 124.66 2i0n s GLU 64 Ca -0.02 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 2i0n s GLU 64 Cb -0.03 -2.73 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 2i0n s GLU 64 CO -0.01 0.27 0.11 0.42 -0.54 0.00 0.00 175.26 175.52 2i0n s ILE 65 N -2.07 5.24 -0.79 -3.70 -1.09 -1.26 0.80 121.20 118.33 2i0n s ILE 65 Ca 0.40 0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 2i0n s ILE 65 Cb -0.10 -3.37 0.17 0.00 -1.58 0.00 0.00 42.46 37.58 2i0n s ILE 65 CO 0.31 0.47 0.82 -0.76 -1.23 0.00 0.00 174.94 174.56 2i0n s LEU 66 N 0.14 6.11 0.00 2.97 1.43 0.97 -4.73 118.68 125.57 2i0n s LEU 66 Ca 0.08 -2.27 0.25 0.00 -1.03 0.00 0.00 54.13 51.16 2i0n s LEU 66 Cb -0.11 -2.27 0.46 0.00 0.03 0.00 0.00 46.19 44.29 2i0n s LEU 66 CO -0.01 -0.79 1.41 0.18 0.23 0.00 0.00 176.35 177.37 2i0n n LEU 67 N 5.04 2.56 0.14 1.79 4.32 -1.26 -0.95 117.00 128.64 2i0n n LEU 67 Ca 0.10 -0.87 0.11 0.00 -0.02 0.00 0.00 56.01 55.34 2i0n n LEU 67 Cb 0.46 -0.01 0.52 0.00 -1.62 0.00 0.00 43.42 42.77 2i0n n LEU 67 CO 0.43 0.43 0.83 -0.24 -1.22 0.00 0.00 177.39 177.62 2i0n n SER 68 N 1.00 0.59 -2.30 -1.43 2.88 -1.26 -4.71 113.62 108.38 2i0n n SER 68 Ca 0.16 0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 58.20 2i0n n SER 68 Cb 0.53 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.21 -5.61 -3.95 -3.46 -0.08 -1.26 -4.96 116.55 95.01 2i0n n ASP 69 Ca 0.00 0.07 -0.14 0.00 -1.51 0.00 0.00 54.79 53.21 2i0n n ASP 69 Cb 0.13 -4.71 -0.14 0.00 2.34 0.00 0.00 41.12 38.74 2i0n n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2i0n s VAL 70 N -2.95 0.31 -0.35 5.18 0.11 -1.26 -5.05 120.40 116.38 2i0n s VAL 70 Ca 0.00 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.43 2i0n s VAL 70 Cb 0.00 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2i0n s VAL 70 CO 0.00 -0.02 1.44 -2.16 -3.33 0.00 0.00 175.10 171.02 2i0n s PRO 71 N -0.39 3.68 0.55 1.54 0.04 -1.26 -5.00 135.00 134.16 2i0n s PRO 71 Ca -0.01 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 2i0n s PRO 71 Cb -0.03 -4.00 -0.06 0.00 0.04 0.00 0.00 34.50 30.45 2i0n s PRO 71 CO -0.00 -1.43 1.02 -1.25 0.04 0.00 0.00 177.00 175.38 2i0n s PRO 72 N 4.75 3.64 -0.77 0.56 0.04 -1.26 -4.95 135.00 137.01 2i0n s PRO 72 Ca 0.63 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2i0n s PRO 72 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2i0n s PRO 72 CO 0.30 -0.53 1.69 -1.25 0.04 0.00 0.00 177.00 177.25 2i0n s PRO 73 N -3.99 2.87 0.73 0.56 0.04 -1.26 -4.98 135.00 128.98 2i0n s PRO 73 Ca 0.62 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 2i0n s PRO 73 Cb -0.13 -4.64 0.03 0.00 0.04 0.00 0.00 34.50 29.79 2i0n s PRO 73 CO 0.33 -2.69 1.07 -0.65 0.04 0.00 0.00 177.00 175.10 2i0n s GLN 74 N 6.45 2.62 0.62 4.56 -0.21 -1.26 -5.05 119.66 127.39 2i0n s GLN 74 Ca 0.58 0.99 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 2i0n s GLN 74 Cb -0.08 -1.95 0.15 0.00 1.00 0.00 0.00 33.01 32.13 2i0n s GLN 74 CO 0.10 -1.34 0.62 -0.35 -2.12 0.00 0.00 175.29 172.20 2i0n n PRO 75 N -3.30 -1.70 -3.51 2.91 -0.04 -1.26 -5.09 135.00 123.02 2i0n n PRO 75 Ca 0.08 -0.99 -0.05 0.00 -0.04 0.00 0.00 63.50 62.50 2i0n n PRO 75 Cb 0.54 -0.83 -0.07 0.00 -0.04 0.00 0.00 33.50 33.10 2i0n n PRO 75 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i0n s VAL 76 N -2.21 -0.76 -0.42 0.52 0.11 -1.26 -5.09 120.40 111.28 2i0n s VAL 76 Ca 0.39 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.53 2i0n s VAL 76 Cb -0.03 -0.82 0.17 0.00 -1.53 0.00 0.00 36.38 34.17 2i0n s VAL 76 CO 0.29 0.00 0.34 -2.28 -3.33 0.00 0.00 175.10 170.12 2i0n s HIS 77 N 2.69 1.18 0.00 1.54 2.46 -1.26 -5.12 115.29 116.78 2i0n s HIS 77 Ca 0.04 -2.35 0.00 0.00 0.47 0.00 0.00 55.06 53.22 2i0n s HIS 77 Cb -0.13 -0.99 0.00 0.00 -0.13 0.00 0.00 32.58 31.33 2i0n s HIS 77 CO -0.16 -0.82 0.00 -0.35 -2.47 0.00 0.00 174.74 170.94 2i0n n PRO 78 N 2.84 0.12 -3.76 2.88 -0.04 -1.26 -5.09 135.00 130.69 2i0n n PRO 78 Ca 0.29 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 2i0n n PRO 78 Cb 0.47 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.80 2i0n n PRO 78 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i0n s VAL 79 N -0.51 -0.03 -2.00 0.52 0.11 -1.26 -5.36 120.40 111.87 2i0n s VAL 79 Ca 0.00 0.12 0.28 0.00 -2.93 0.00 0.00 61.98 59.45 2i0n s VAL 79 Cb 0.00 -0.29 0.79 0.00 -1.53 0.00 0.00 36.38 35.35 2i0n s VAL 79 CO 0.00 0.05 2.00 0.00 -3.33 0.00 0.00 175.10 173.82