#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 2 N 0.00 1.04 -2.14 0.54 5.02 -1.26 -4.85 118.16 116.52 3i1n n LYS 2 Ca 0.00 0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 56.24 3i1n n LYS 2 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3i1n n LYS 2 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i1n s ILE 3 N -0.84 3.02 0.11 -0.18 1.01 -1.26 -4.99 121.20 118.08 3i1n s ILE 3 Ca 0.63 0.84 -0.18 0.00 0.00 0.00 0.00 60.65 61.94 3i1n s ILE 3 Cb -0.78 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 3i1n s ILE 3 CO 0.57 0.12 0.58 -0.54 0.00 0.00 0.00 174.94 175.67 3i1n s LYS 4 N -0.08 4.13 0.22 2.79 1.02 -1.26 -5.02 119.74 121.54 3i1n s LYS 4 Ca 0.58 0.67 -0.19 0.00 0.02 0.00 0.00 55.97 57.05 3i1n s LYS 4 Cb -0.38 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 33.74 3i1n s LYS 4 CO 0.39 0.57 0.71 -0.08 -0.92 0.00 0.00 175.35 176.02 3i1n s THR 5 N -1.26 4.59 -0.92 2.17 -1.32 -1.26 -4.94 115.64 112.70 3i1n s THR 5 Ca 0.33 1.26 -0.25 0.00 -1.21 0.00 0.00 61.69 61.82 3i1n s THR 5 Cb -0.18 -3.85 -0.08 0.00 -1.51 0.00 0.00 72.50 66.88 3i1n s THR 5 CO 0.19 0.21 2.07 -0.69 -2.21 0.00 0.00 174.62 174.19 3i1n s VAL 6 N -1.51 3.33 0.59 5.08 1.01 -0.94 -4.80 120.40 123.16 3i1n s VAL 6 Ca 0.42 -0.33 0.32 0.00 0.00 0.00 0.00 61.98 62.40 3i1n s VAL 6 Cb -0.17 -3.83 0.46 0.00 0.00 0.00 0.00 36.38 32.85 3i1n s VAL 6 CO 0.21 -0.68 1.55 0.03 0.00 0.00 0.00 175.10 176.21 3i1n h ARG 7 N 11.47 0.00 0.24 2.72 2.47 -1.92 0.13 114.38 129.49 3i1n h ARG 7 Ca 0.08 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.47 3i1n h ARG 7 Cb 1.00 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.35 3i1n h ARG 7 CO 1.15 0.00 -1.46 0.78 0.56 0.00 0.00 179.97 181.01 3i1n h GLY 8 N 0.00 0.60 2.00 0.04 0.00 -1.96 -3.13 103.07 100.63 3i1n h GLY 8 Ca 0.49 -1.53 0.00 0.00 0.00 0.00 0.00 47.33 46.30 3i1n h GLY 8 CO -0.01 1.34 0.00 0.00 0.00 0.00 0.00 176.54 177.87 3i1n h ALA 9 N 0.20 1.00 0.00 3.60 0.00 -1.07 -1.61 119.26 121.37 3i1n h ALA 9 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i1n h ALA 9 Cb 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3i1n h ALA 9 CO 0.27 0.00 -0.96 0.00 0.00 0.00 0.00 179.25 178.57 3i1n n ALA 10 N -1.83 3.18 -0.06 0.00 0.00 -1.19 -2.63 120.51 117.99 3i1n n ALA 10 Ca -0.00 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.17 3i1n n ALA 10 Cb 0.12 -1.03 0.28 0.00 0.00 0.00 0.00 19.45 18.83 3i1n n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1n n LYS 11 N -2.07 2.83 0.00 0.00 5.02 -0.61 -4.38 118.16 118.95 3i1n n LYS 11 Ca 0.02 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 3i1n n LYS 11 Cb 0.45 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3i1n n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1n n ARG 12 N 1.06 3.14 -4.28 1.97 1.74 -1.19 -5.09 116.66 114.00 3i1n n ARG 12 Ca 0.21 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.13 3i1n n ARG 12 Cb 0.63 -0.73 -0.10 0.00 -1.02 0.00 0.00 32.46 31.24 3i1n n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i1n s PHE 13 N -0.96 1.40 -0.22 -1.55 0.08 -1.08 -4.33 117.98 111.32 3i1n s PHE 13 Ca 0.00 -0.69 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 3i1n s PHE 13 Cb 0.00 -0.69 0.11 0.00 -0.57 0.00 0.00 43.02 41.87 3i1n s PHE 13 CO 0.00 0.17 0.31 0.21 -0.10 0.00 0.00 175.22 175.81 3i1n s LYS 14 N -3.64 0.28 0.11 0.44 2.36 -0.90 -4.78 119.74 113.61 3i1n s LYS 14 Ca 0.18 0.43 -0.34 0.00 -2.55 0.00 0.00 55.97 53.69 3i1n s LYS 14 Cb 0.01 -0.71 -0.18 0.00 -1.05 0.00 0.00 37.83 35.90 3i1n s LYS 14 CO 0.03 -0.62 0.93 1.17 1.55 0.00 0.00 175.35 178.41 3i1n n LYS 15 N 5.35 0.35 -0.83 4.03 3.00 -1.26 -4.29 118.16 124.51 3i1n n LYS 15 Ca -0.05 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3i1n n LYS 15 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.06 3i1n n LYS 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i1n n THR 16 N 1.05 0.00 0.10 3.15 -2.24 -0.30 -4.90 114.28 111.14 3i1n n THR 16 Ca 0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 3i1n n THR 16 Cb 0.18 -1.03 0.36 0.00 -2.10 0.00 0.00 70.33 67.74 3i1n n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3i1n h GLY 17 N 0.00 0.29 -1.84 3.38 0.00 -1.93 -2.70 103.07 100.27 3i1n h GLY 17 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3i1n h GLY 17 CO 0.00 0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.99 3i1n n LYS 18 N -4.25 2.75 0.00 4.80 5.02 -1.26 -4.95 118.16 120.27 3i1n n LYS 18 Ca -0.01 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 3i1n n LYS 18 Cb 0.28 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3i1n n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 19 N 0.98 1.04 0.00 0.72 0.00 -1.02 -5.10 105.19 101.82 3i1n n GLY 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i1n n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 20 N -1.88 1.20 1.29 -0.02 0.00 -1.26 -4.75 105.19 99.78 3i1n n GLY 20 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3i1n n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1n n PHE 21 N 0.00 0.00 -1.35 1.61 3.01 -1.26 -1.15 117.46 118.32 3i1n n PHE 21 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i1n n PHE 21 Cb 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 3i1n n PHE 21 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3i1n n LYS 22 N -2.37 -3.79 -3.84 -1.08 2.85 -1.20 -2.12 118.16 106.60 3i1n n LYS 22 Ca 0.00 2.76 -0.09 0.00 -1.05 0.00 0.00 58.31 59.93 3i1n n LYS 22 Cb 0.11 -3.05 -0.03 0.00 -0.65 0.00 0.00 35.03 31.40 3i1n n LYS 22 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 3i1n s HIS 23 N -2.08 -0.03 0.29 5.58 -3.43 0.13 -2.81 115.29 112.95 3i1n s HIS 23 Ca 0.00 -0.36 -0.13 0.00 -0.80 0.00 0.00 55.06 53.78 3i1n s HIS 23 Cb 0.00 0.46 -0.08 0.00 -1.43 0.00 0.00 32.58 31.53 3i1n s HIS 23 CO 0.00 -1.06 0.66 0.21 -2.00 0.00 0.00 174.74 172.56 3i1n s LYS 24 N -3.93 3.92 0.53 -0.38 2.20 -1.26 -1.53 119.74 119.29 3i1n s LYS 24 Ca 0.13 0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 3i1n s LYS 24 Cb -0.03 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.72 3i1n s LYS 24 CO 0.04 0.21 1.06 -1.01 -0.36 0.00 0.00 175.35 175.29 3i1n s HIS 25 N -1.93 2.91 0.29 4.03 3.76 -1.26 -4.95 115.29 118.15 3i1n s HIS 25 Ca 0.51 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.86 3i1n s HIS 25 Cb -0.11 -3.10 -0.08 0.00 1.11 0.00 0.00 32.58 30.41 3i1n s HIS 25 CO 0.19 -1.09 0.65 0.00 -0.85 0.00 0.00 174.74 173.64 3i1n s ALA 26 N -2.07 3.44 0.00 -1.40 0.00 -1.26 -4.48 121.76 115.98 3i1n s ALA 26 Ca 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3i1n s ALA 26 Cb -0.18 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3i1n s ALA 26 CO 0.27 0.35 0.00 0.09 0.00 0.00 0.00 175.76 176.47 3i1n n ASN 27 N -0.44 0.00 -2.52 0.00 5.03 -1.26 -4.98 115.26 111.09 3i1n n ASN 27 Ca 0.02 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.23 3i1n n ASN 27 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3i1n n ASN 27 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3i1n n LEU 28 N 0.00 4.19 0.00 3.41 7.94 -1.26 -4.72 117.00 126.56 3i1n n LEU 28 Ca 0.00 -5.00 0.00 0.00 -1.11 0.00 0.00 56.01 49.90 3i1n n LEU 28 Cb 0.00 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3i1n n LEU 28 CO 0.00 2.14 0.11 -1.14 -1.11 0.00 0.00 177.39 177.38 3i1n n ARG 29 N -0.41 -0.12 0.00 1.96 0.63 -1.26 -5.11 116.66 112.35 3i1n n ARG 29 Ca 0.34 -0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3i1n n ARG 29 Cb 0.68 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 32.90 3i1n n ARG 29 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 3i1n n HIS 30 N -0.04 0.00 -0.74 -0.14 -0.00 -1.26 -5.04 115.22 107.99 3i1n n HIS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i1n n HIS 30 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 3i1n n HIS 30 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3i1n n ILE 31 N -0.71 0.00 -0.04 3.57 0.13 -1.26 -4.84 119.36 116.21 3i1n n ILE 31 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 3i1n n ILE 31 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 3i1n n ILE 31 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3i1n n LEU 32 N 0.16 2.02 -0.32 9.51 4.77 -1.26 -4.59 117.00 127.29 3i1n n LEU 32 Ca 0.00 -0.03 0.23 0.00 -0.03 0.00 0.00 56.01 56.17 3i1n n LEU 32 Cb 0.00 -0.15 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 3i1n n LEU 32 CO 0.00 0.49 1.22 0.00 -1.33 0.00 0.00 177.39 177.77 3i1n h THR 33 N 0.00 0.53 -0.00 -5.08 1.03 -2.02 0.21 112.91 107.59 3i1n h THR 33 Ca -0.19 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 3i1n h THR 33 Cb 1.34 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 3i1n h THR 33 CO -0.02 0.07 -0.11 2.29 -0.01 0.00 0.00 175.52 177.74 3i1n n LYS 34 N -4.61 0.58 -3.40 0.00 2.85 -1.26 -4.86 118.16 107.46 3i1n n LYS 34 Ca 0.25 -0.18 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 3i1n n LYS 34 Cb 0.87 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.72 3i1n n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i1n s LYS 35 N -2.54 3.66 0.37 -1.58 1.02 0.75 -5.04 119.74 116.37 3i1n s LYS 35 Ca 0.27 0.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.03 3i1n s LYS 35 Cb 0.20 -2.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 3i1n s LYS 35 CO 0.49 0.27 1.20 0.00 -0.92 0.00 0.00 175.35 176.39 3i1n s ALA 36 N -1.98 3.27 0.25 5.17 0.00 -1.26 -4.91 121.76 122.30 3i1n s ALA 36 Ca 0.44 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 3i1n s ALA 36 Cb -0.11 -3.40 0.36 0.00 0.00 0.00 0.00 23.12 19.96 3i1n s ALA 36 CO 0.28 -0.53 1.87 1.15 0.00 0.00 0.00 175.76 178.53 3i1n h THR 37 N 2.60 1.08 0.49 0.00 2.02 -1.96 -1.87 112.91 115.27 3i1n h THR 37 Ca -0.49 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3i1n h THR 37 Cb 1.23 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3i1n h THR 37 CO 0.64 0.20 -0.45 0.50 0.37 0.00 0.00 175.52 176.78 3i1n h LYS 38 N 1.10 -0.90 -0.76 6.66 3.64 -1.99 0.94 116.57 125.26 3i1n h LYS 38 Ca 0.40 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 60.02 3i1n h LYS 38 Cb 0.13 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 32.03 3i1n h LYS 38 CO -0.16 -0.60 0.07 -0.09 -2.27 0.00 0.00 179.45 176.40 3i1n h ARG 39 N -0.94 0.14 -0.10 1.90 2.43 -1.86 -0.49 114.38 115.47 3i1n h ARG 39 Ca -0.05 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3i1n h ARG 39 Cb 0.81 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3i1n h ARG 39 CO -0.04 0.10 -0.59 0.87 -1.51 0.00 0.00 179.97 178.80 3i1n h LYS 40 N 0.15 0.32 -0.62 0.20 1.57 -1.06 -3.11 116.57 114.02 3i1n h LYS 40 Ca 0.43 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3i1n h LYS 40 Cb 0.77 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3i1n h LYS 40 CO -0.63 0.82 0.41 -0.09 -0.57 0.00 0.00 179.45 179.39 3i1n h ARG 41 N 0.24 0.81 0.00 3.15 2.43 0.86 0.12 114.38 122.00 3i1n h ARG 41 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i1n h ARG 41 Cb 1.10 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3i1n h ARG 41 CO 0.10 0.54 -0.12 0.45 -1.51 0.00 0.00 179.97 179.43 3i1n h HIS 42 N 0.84 0.00 0.00 2.20 3.86 -1.41 -3.25 115.15 117.39 3i1n h HIS 42 Ca 0.23 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.26 3i1n h HIS 42 Cb -0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3i1n h HIS 42 CO -0.00 0.00 -0.83 -0.07 0.86 0.00 0.00 177.93 177.89 3i1n h LEU 43 N 0.00 0.00 -0.35 2.43 3.38 -0.70 -3.37 115.31 116.70 3i1n h LEU 43 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3i1n h LEU 43 Cb 0.88 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3i1n h LEU 43 CO 0.00 0.83 -0.08 0.03 0.09 0.00 0.00 178.44 179.31 3i1n h ARG 44 N 0.00 0.01 -7.20 1.13 3.08 -1.49 -3.38 114.38 106.53 3i1n h ARG 44 Ca -0.01 -0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 3i1n h ARG 44 Cb 1.53 -0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.79 3i1n h ARG 44 CO 0.11 0.01 0.11 -1.25 -1.07 0.00 0.00 179.97 177.87 3i1n s PRO 45 N -6.21 -0.03 0.71 0.04 0.04 -1.26 -4.84 135.00 123.44 3i1n s PRO 45 Ca -0.14 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 3i1n s PRO 45 Cb 0.13 -1.63 0.16 0.00 0.04 0.00 0.00 34.50 33.20 3i1n s PRO 45 CO 0.70 -3.22 0.96 1.63 0.04 0.00 0.00 177.00 177.11 3i1n n LYS 46 N -4.60 -0.87 -3.52 4.56 4.76 -1.26 -4.39 118.16 112.84 3i1n n LYS 46 Ca 0.07 -1.56 -0.11 0.00 -2.87 0.00 0.00 58.31 53.84 3i1n n LYS 46 Cb 0.53 -0.97 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 3i1n n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1n s ALA 47 N -3.90 -1.82 0.23 7.82 0.00 -0.58 -4.92 121.76 118.59 3i1n s ALA 47 Ca 0.55 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 3i1n s ALA 47 Cb -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 3i1n s ALA 47 CO 0.38 -0.52 0.73 -1.64 0.00 0.00 0.00 175.76 174.72 3i1n s MET 48 N -2.21 4.24 0.42 0.00 -1.94 -1.26 0.22 119.30 118.77 3i1n s MET 48 Ca -0.00 0.87 -0.22 0.00 -1.71 0.00 0.00 55.69 54.63 3i1n s MET 48 Cb -0.01 -2.85 -0.11 0.00 2.01 0.00 0.00 34.83 33.87 3i1n s MET 48 CO -0.03 0.38 0.95 0.54 -0.01 0.00 0.00 175.02 176.85 3i1n s VAL 49 N -1.55 4.37 0.78 -6.03 0.11 -1.26 -4.81 120.40 112.01 3i1n s VAL 49 Ca 0.44 1.52 -0.10 0.00 -2.93 0.00 0.00 61.98 60.91 3i1n s VAL 49 Cb -0.16 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.14 3i1n s VAL 49 CO 0.21 -0.27 1.12 -0.94 -3.33 0.00 0.00 175.10 171.89 3i1n s SER 50 N -2.12 4.43 0.15 3.54 1.04 -1.26 -4.84 113.70 114.64 3i1n s SER 50 Ca 0.61 0.52 -0.14 0.00 0.48 0.00 0.00 55.95 57.41 3i1n s SER 50 Cb -0.10 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.04 3i1n s SER 50 CO 0.14 -1.89 1.69 0.11 0.98 0.00 0.00 173.24 174.26 3i1n h LYS 51 N -0.92 0.73 -0.62 4.02 6.56 -2.01 -2.36 116.57 121.96 3i1n h LYS 51 Ca -0.45 -0.14 0.03 0.00 -1.06 0.00 0.00 60.65 59.03 3i1n h LYS 51 Cb 1.31 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.82 3i1n h LYS 51 CO 0.58 0.67 0.41 0.78 -2.06 0.00 0.00 179.45 179.84 3i1n h GLY 52 N 0.63 0.83 1.95 3.86 0.00 -2.04 -2.92 103.07 105.38 3i1n h GLY 52 Ca 0.16 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3i1n h GLY 52 CO -0.01 0.25 -0.72 -0.55 0.00 0.00 0.00 176.54 175.50 3i1n h ASP 53 N 0.73 0.00 -0.72 0.19 3.32 -1.82 -3.28 116.42 114.84 3i1n h ASP 53 Ca 0.25 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.48 3i1n h ASP 53 Cb 0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3i1n h ASP 53 CO -0.07 0.68 0.50 0.25 -1.72 0.00 0.00 179.24 178.89 3i1n h LEU 54 N 0.00 0.15 0.86 1.55 5.85 -1.23 -0.66 115.31 121.83 3i1n h LEU 54 Ca -0.02 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3i1n h LEU 54 Cb 1.53 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.55 3i1n h LEU 54 CO 0.09 0.07 -0.42 1.23 -0.34 0.00 0.00 178.44 179.07 3i1n h GLY 55 N 0.16 -1.21 0.40 3.75 0.00 -1.73 -2.05 103.07 102.39 3i1n h GLY 55 Ca 0.35 0.45 0.03 0.00 0.00 0.00 0.00 47.33 48.16 3i1n h GLY 55 CO -0.06 -0.44 -0.27 1.41 0.00 0.00 0.00 176.54 177.18 3i1n h LEU 56 N -1.18 -0.81 -1.20 3.11 -0.00 -1.38 -2.62 115.31 111.23 3i1n h LEU 56 Ca -0.12 0.11 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 3i1n h LEU 56 Cb 0.89 0.33 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 3i1n h LEU 56 CO 0.19 -0.34 0.55 0.58 -0.00 0.00 0.00 178.44 179.42 3i1n h VAL 57 N -0.42 1.13 -0.32 1.22 2.07 -1.22 -2.29 116.25 116.43 3i1n h VAL 57 Ca 0.06 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 3i1n h VAL 57 Cb 0.50 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3i1n h VAL 57 CO -0.23 0.19 -0.48 0.40 0.02 0.00 0.00 177.57 177.47 3i1n h ILE 58 N 1.04 1.28 0.00 4.57 2.04 -1.20 -2.49 117.51 122.74 3i1n h ILE 58 Ca 0.33 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3i1n h ILE 58 Cb 0.04 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3i1n h ILE 58 CO -0.10 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.60 3i1n n ALA 59 N -2.55 1.42 0.88 1.87 0.00 -0.90 -1.79 120.51 119.44 3i1n n ALA 59 Ca -0.03 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3i1n n ALA 59 Cb 0.59 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3i1n n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n LEU 61 N -0.22 0.19 0.10 0.00 4.77 -0.74 -2.21 117.00 118.89 3i1n n LEU 61 Ca 0.08 -4.70 0.08 0.00 -0.03 0.00 0.00 56.01 51.44 3i1n n LEU 61 Cb 0.40 0.66 0.40 0.00 -2.33 0.00 0.00 43.42 42.55 3i1n n LEU 61 CO 0.27 2.10 0.75 -0.81 -1.33 0.00 0.00 177.39 178.37 3i1n n PRO 62 N 1.25 0.11 -0.13 3.23 -0.04 -1.22 -1.73 135.00 136.47 3i1n n PRO 62 Ca 0.21 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 64.21 3i1n n PRO 62 Cb 0.55 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3i1n n PRO 62 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i1n n TYR 63 N -1.99 0.31 0.87 0.54 4.01 -1.26 -5.15 117.16 114.49 3i1n n TYR 63 Ca 0.00 -0.53 0.07 0.00 -0.16 0.00 0.00 57.90 57.28 3i1n n TYR 63 Cb 0.10 -0.05 0.41 0.00 -0.31 0.00 0.00 39.34 39.49 3i1n n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40