#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 s LYS 2 N 0.00 4.42 0.24 -0.52 -2.85 -1.26 -4.95 119.74 114.83 3i22 s LYS 2 Ca 0.00 1.77 -0.12 0.00 -1.00 0.00 0.00 55.97 56.62 3i22 s LYS 2 Cb 0.00 -3.37 -0.09 0.00 -2.06 0.00 0.00 37.83 32.31 3i22 s LYS 2 CO 0.00 -0.29 0.03 -0.89 0.10 0.00 0.00 175.35 174.30 3i22 n ILE 3 N 4.02 0.30 -5.00 3.79 5.41 -1.26 -4.98 119.36 121.64 3i22 n ILE 3 Ca 0.09 -0.29 -0.32 0.00 1.00 0.00 0.00 62.75 63.23 3i22 n ILE 3 Cb 0.46 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.25 3i22 n ILE 3 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3i22 s LYS 4 N -0.58 2.76 -0.01 0.38 2.20 -1.26 -5.02 119.74 118.20 3i22 s LYS 4 Ca 0.34 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 3i22 s LYS 4 Cb -0.35 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 3i22 s LYS 4 CO 0.37 0.42 0.57 0.99 -0.36 0.00 0.00 175.35 177.34 3i22 s THR 5 N -0.23 4.94 -0.81 3.43 2.01 -1.26 -4.96 115.64 118.76 3i22 s THR 5 Ca -0.00 1.19 -0.24 0.00 0.31 0.00 0.00 61.69 62.95 3i22 s THR 5 Cb -0.13 -3.91 -0.16 0.00 0.01 0.00 0.00 72.50 68.31 3i22 s THR 5 CO 0.03 0.42 2.39 0.52 -0.69 0.00 0.00 174.62 177.29 3i22 n VAL 6 N 2.74 -0.00 -0.02 3.82 0.31 -1.03 -4.74 118.33 119.42 3i22 n VAL 6 Ca -0.07 -0.51 0.23 0.00 -0.01 0.00 0.00 64.34 63.98 3i22 n VAL 6 Cb 0.51 -1.78 0.72 0.00 -0.91 0.00 0.00 33.84 32.38 3i22 n VAL 6 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i22 h ARG 7 N 12.66 0.00 0.45 5.55 9.65 -1.93 -0.98 114.38 139.79 3i22 h ARG 7 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3i22 h ARG 7 Cb 1.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3i22 h ARG 7 CO 1.08 0.00 -0.22 0.78 2.80 0.00 0.00 179.97 184.41 3i22 h GLY 8 N 0.00 -0.64 1.00 2.80 0.00 -2.00 -3.17 103.07 101.07 3i22 h GLY 8 Ca 0.28 0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.95 3i22 h GLY 8 CO -0.00 -0.23 0.42 0.00 0.00 0.00 0.00 176.54 176.72 3i22 h ALA 9 N -1.58 2.02 0.00 3.60 0.00 -1.79 -1.08 119.26 120.43 3i22 h ALA 9 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i22 h ALA 9 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i22 h ALA 9 CO 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.19 3i22 n ALA 10 N -2.52 1.39 0.58 0.00 0.00 -0.43 -1.51 120.51 118.01 3i22 n ALA 10 Ca 0.10 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3i22 n ALA 10 Cb 0.39 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.80 3i22 n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i22 n LYS 11 N -1.44 1.37 -0.09 0.00 5.02 -0.41 -4.40 118.16 118.21 3i22 n LYS 11 Ca 0.02 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 3i22 n LYS 11 Cb 0.08 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3i22 n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i22 n ARG 12 N 0.90 0.48 -4.25 1.97 0.00 -0.66 -5.06 116.66 110.04 3i22 n ARG 12 Ca 0.10 -0.81 -0.22 0.00 -0.00 0.00 0.00 57.85 56.92 3i22 n ARG 12 Cb 0.41 -0.61 -0.17 0.00 -0.00 0.00 0.00 32.46 32.09 3i22 n ARG 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i22 s PHE 13 N -0.26 1.02 -0.12 2.89 0.08 -0.57 -4.45 117.98 116.56 3i22 s PHE 13 Ca 0.01 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 3i22 s PHE 13 Cb 0.01 -0.84 0.05 0.00 -0.57 0.00 0.00 43.02 41.67 3i22 s PHE 13 CO 0.00 -0.25 0.09 0.21 -0.10 0.00 0.00 175.22 175.17 3i22 s LYS 14 N 0.95 0.02 1.09 0.44 2.36 -0.37 -4.81 119.74 119.43 3i22 s LYS 14 Ca -0.10 0.11 -0.18 0.00 -2.55 0.00 0.00 55.97 53.25 3i22 s LYS 14 Cb -0.15 -1.29 0.28 0.00 -1.05 0.00 0.00 37.83 35.62 3i22 s LYS 14 CO 0.00 -0.54 0.73 1.17 1.55 0.00 0.00 175.35 178.26 3i22 n LYS 15 N 5.29 -3.81 0.00 4.03 4.81 -1.26 -3.78 118.16 123.44 3i22 n LYS 15 Ca -0.05 -1.20 0.00 0.00 -0.87 0.00 0.00 58.31 56.18 3i22 n LYS 15 Cb 0.49 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3i22 n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i22 n THR 16 N -4.96 0.00 -1.24 3.15 -2.24 -1.18 -4.85 114.28 102.95 3i22 n THR 16 Ca 0.11 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 3i22 n THR 16 Cb 0.47 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.88 3i22 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 17 N 0.00 4.52 3.80 3.38 0.00 -1.26 -4.94 105.19 110.69 3i22 n GLY 17 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.96 3i22 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i22 s LYS 18 N -3.30 0.12 0.59 1.61 2.47 -1.26 -5.01 119.74 114.97 3i22 s LYS 18 Ca 0.57 -0.08 0.30 0.00 -1.56 0.00 0.00 55.97 55.20 3i22 s LYS 18 Cb 0.48 0.04 1.32 0.00 -1.46 0.00 0.00 37.83 38.20 3i22 s LYS 18 CO 0.10 -0.06 1.69 0.78 0.16 0.00 0.00 175.35 178.02 3i22 h GLY 19 N 2.00 0.00 -2.27 5.54 0.00 -2.02 -3.44 103.07 102.88 3i22 h GLY 19 Ca -0.27 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.52 3i22 h GLY 19 CO 0.30 0.00 -0.85 0.61 0.00 0.00 0.00 176.54 176.60 3i22 n GLY 20 N -1.61 -2.56 0.00 4.60 0.00 -1.26 -4.85 105.19 99.50 3i22 n GLY 20 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3i22 n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i22 n PHE 21 N -3.19 0.00 -3.30 1.61 3.01 -1.26 -3.13 117.46 111.21 3i22 n PHE 21 Ca 0.05 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.37 3i22 n PHE 21 Cb 0.54 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.02 3i22 n PHE 21 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3i22 n LYS 22 N -0.17 -0.89 0.00 -1.08 4.81 -1.25 -1.23 118.16 118.35 3i22 n LYS 22 Ca 0.00 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 3i22 n LYS 22 Cb 0.08 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3i22 n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i22 n HIS 23 N 0.76 0.00 -0.35 5.64 1.44 0.13 -4.26 115.22 118.58 3i22 n HIS 23 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3i22 n HIS 23 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 3i22 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i22 n LYS 24 N 0.00 3.42 -3.53 -1.40 4.76 -1.26 -4.09 118.16 116.05 3i22 n LYS 24 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3i22 n LYS 24 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3i22 n LYS 24 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3i22 s HIS 25 N 3.72 -0.65 1.26 2.13 3.76 -1.26 -4.56 115.29 119.68 3i22 s HIS 25 Ca 0.00 0.99 -0.18 0.00 -0.15 0.00 0.00 55.06 55.72 3i22 s HIS 25 Cb 0.00 0.04 0.28 0.00 1.11 0.00 0.00 32.58 34.01 3i22 s HIS 25 CO 0.00 -0.55 0.69 0.00 -0.85 0.00 0.00 174.74 174.03 3i22 n ALA 26 N 5.36 -3.68 -3.14 -1.40 0.00 -1.26 -4.18 120.51 112.21 3i22 n ALA 26 Ca -0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 53.44 51.77 3i22 n ALA 26 Cb 0.50 -1.61 0.07 0.00 0.00 0.00 0.00 19.45 18.40 3i22 n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i22 n ASN 27 N -4.18 -2.72 -2.94 0.00 4.05 -1.26 -4.99 115.26 103.22 3i22 n ASN 27 Ca 0.06 -0.46 -0.00 0.00 0.45 0.00 0.00 54.58 54.63 3i22 n ASN 27 Cb 0.55 -3.99 0.00 0.00 1.23 0.00 0.00 39.78 37.57 3i22 n ASN 27 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3i22 s LEU 28 N -5.41 -1.09 0.00 1.20 0.20 -1.26 -4.97 118.68 107.35 3i22 s LEU 28 Ca 0.09 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.10 3i22 s LEU 28 Cb -0.04 1.41 0.00 0.00 -0.43 0.00 0.00 46.19 47.13 3i22 s LEU 28 CO 0.55 -0.09 0.00 -2.11 -0.29 0.00 0.00 176.35 174.41 3i22 n ARG 29 N 3.69 0.00 0.00 1.98 1.85 -1.26 -5.07 116.66 117.85 3i22 n ARG 29 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3i22 n ARG 29 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 3i22 n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3i22 n HIS 30 N 0.00 0.00 -1.95 2.89 8.25 -1.26 -4.99 115.22 118.16 3i22 n HIS 30 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3i22 n HIS 30 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3i22 n HIS 30 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i22 s ILE 31 N 2.63 3.33 -0.00 1.59 1.01 -1.26 -4.79 121.20 123.71 3i22 s ILE 31 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3i22 s ILE 31 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3i22 s ILE 31 CO 0.00 -0.03 0.59 0.18 0.00 0.00 0.00 174.94 175.68 3i22 n LEU 32 N 6.56 0.21 -0.00 2.97 4.77 -1.26 -4.85 117.00 125.40 3i22 n LEU 32 Ca 0.17 -0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.68 3i22 n LEU 32 Cb 0.42 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 3i22 n LEU 32 CO 0.63 0.07 0.22 0.00 -1.33 0.00 0.00 177.39 176.98 3i22 h THR 33 N 3.02 1.63 0.00 -5.08 1.03 -2.03 -3.33 112.91 108.16 3i22 h THR 33 Ca 0.00 -2.40 -0.02 0.00 -0.01 0.00 0.00 66.41 63.98 3i22 h THR 33 Cb 0.99 3.23 -0.00 0.00 -1.07 0.00 0.00 68.15 71.29 3i22 h THR 33 CO 0.00 0.66 -0.10 0.07 -0.01 0.00 0.00 175.52 176.14 3i22 h LYS 34 N -0.62 0.00 -6.66 0.00 2.10 -2.00 -3.45 116.57 105.93 3i22 h LYS 34 Ca -0.07 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.05 3i22 h LYS 34 Cb 1.33 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.71 3i22 h LYS 34 CO 0.08 0.10 0.93 0.15 -2.00 0.00 0.00 179.45 178.71 3i22 s LYS 35 N -3.35 4.17 0.41 0.07 -0.14 -1.25 -4.96 119.74 114.68 3i22 s LYS 35 Ca 0.04 2.49 -0.25 0.00 -1.36 0.00 0.00 55.97 56.89 3i22 s LYS 35 Cb 0.07 -3.10 -0.08 0.00 -1.68 0.00 0.00 37.83 33.04 3i22 s LYS 35 CO 0.64 -0.66 1.19 0.00 -0.76 0.00 0.00 175.35 175.76 3i22 s ALA 36 N 0.96 3.14 0.27 5.17 0.00 -1.26 -4.91 121.76 125.12 3i22 s ALA 36 Ca 0.71 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3i22 s ALA 36 Cb -0.47 -3.40 0.54 0.00 0.00 0.00 0.00 23.12 19.79 3i22 s ALA 36 CO 0.34 -0.61 1.82 1.79 0.00 0.00 0.00 175.76 179.10 3i22 h THR 37 N 2.26 0.88 0.26 0.00 1.35 -1.95 -1.73 112.91 113.97 3i22 h THR 37 Ca -0.49 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 3i22 h THR 37 Cb 1.24 -0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3i22 h THR 37 CO 0.62 0.16 -0.17 0.50 -0.25 0.00 0.00 175.52 176.39 3i22 h LYS 38 N 0.90 -0.38 -1.40 4.72 3.64 -1.99 -0.67 116.57 121.39 3i22 h LYS 38 Ca 0.48 0.03 0.41 0.00 -1.27 0.00 0.00 60.65 60.29 3i22 h LYS 38 Cb 0.52 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3i22 h LYS 38 CO -0.28 -0.26 1.08 -0.09 -2.27 0.00 0.00 179.45 177.64 3i22 h ARG 39 N -0.40 0.00 0.10 1.90 2.43 -1.85 -0.63 114.38 115.92 3i22 h ARG 39 Ca -0.03 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 3i22 h ARG 39 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3i22 h ARG 39 CO 0.03 0.00 -1.55 0.87 -1.51 0.00 0.00 179.97 177.81 3i22 h LYS 40 N 0.00 0.20 0.00 0.20 1.57 -1.16 -3.27 116.57 114.12 3i22 h LYS 40 Ca 0.66 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3i22 h LYS 40 Cb 2.82 0.13 0.00 0.00 0.08 0.00 0.00 32.23 35.26 3i22 h LYS 40 CO -0.01 1.17 0.01 -0.09 -0.57 0.00 0.00 179.45 179.96 3i22 h ARG 41 N -0.33 0.00 0.00 3.15 1.12 0.44 0.42 114.38 119.18 3i22 h ARG 41 Ca -0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 3i22 h ARG 41 Cb 1.75 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.71 3i22 h ARG 41 CO 0.02 0.00 -0.73 0.72 -3.11 0.00 0.00 179.97 176.86 3i22 n HIS 42 N -2.86 0.14 -0.30 2.20 8.25 -0.90 -4.15 115.22 117.60 3i22 n HIS 42 Ca -0.03 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 3i22 n HIS 42 Cb 0.07 -0.32 0.30 0.00 1.12 0.00 0.00 29.99 31.16 3i22 n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i22 n LEU 43 N -1.71 3.80 -0.09 2.41 4.32 0.15 -4.46 117.00 121.42 3i22 n LEU 43 Ca 0.04 -1.96 -0.21 0.00 -0.02 0.00 0.00 56.01 53.86 3i22 n LEU 43 Cb 0.38 -0.44 -0.12 0.00 -1.62 0.00 0.00 43.42 41.61 3i22 n LEU 43 CO 0.38 0.94 -0.43 0.03 -1.22 0.00 0.00 177.39 177.09 3i22 h ARG 44 N 4.03 0.02 -7.06 3.23 3.08 -1.69 -3.44 114.38 112.55 3i22 h ARG 44 Ca 0.00 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.47 3i22 h ARG 44 Cb 0.96 0.01 0.17 0.00 0.08 0.00 0.00 29.97 31.19 3i22 h ARG 44 CO 0.00 1.01 0.34 -0.35 -1.07 0.00 0.00 179.97 179.91 3i22 n PRO 45 N -4.41 0.76 -4.75 0.04 -0.04 -1.26 -4.98 135.00 120.36 3i22 n PRO 45 Ca -0.29 0.32 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 3i22 n PRO 45 Cb 0.68 -2.41 -0.17 0.00 -0.04 0.00 0.00 33.50 31.57 3i22 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i22 s LYS 46 N -3.46 3.02 0.43 0.54 0.00 -1.26 -4.90 119.74 114.11 3i22 s LYS 46 Ca 0.78 -0.86 0.05 0.00 0.00 0.00 0.00 55.97 55.94 3i22 s LYS 46 Cb -0.36 -2.41 0.05 0.00 0.00 0.00 0.00 37.83 35.11 3i22 s LYS 46 CO 0.45 0.01 0.38 0.00 0.00 0.00 0.00 175.35 176.20 3i22 n ALA 47 N 3.99 0.72 -2.21 0.59 0.00 -1.26 -4.75 120.51 117.60 3i22 n ALA 47 Ca -0.20 -1.71 -0.21 0.00 0.00 0.00 0.00 53.44 51.32 3i22 n ALA 47 Cb 0.52 0.66 -0.00 0.00 0.00 0.00 0.00 19.45 20.62 3i22 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 s MET 48 N -3.82 2.46 0.91 0.00 0.23 -1.26 0.20 119.30 118.02 3i22 s MET 48 Ca 0.29 -1.64 -0.12 0.00 -1.03 0.00 0.00 55.69 53.19 3i22 s MET 48 Cb -0.02 -2.40 0.14 0.00 -1.53 0.00 0.00 34.83 31.01 3i22 s MET 48 CO 0.18 -0.42 1.09 0.14 -2.03 0.00 0.00 175.02 173.98 3i22 s VAL 49 N -2.57 2.58 -0.45 5.16 -7.23 -1.26 -4.85 120.40 111.79 3i22 s VAL 49 Ca 0.48 0.19 0.03 0.00 -1.81 0.00 0.00 61.98 60.87 3i22 s VAL 49 Cb -0.04 -2.66 0.13 0.00 0.56 0.00 0.00 36.38 34.37 3i22 s VAL 49 CO 0.29 -0.25 0.21 -0.94 -0.31 0.00 0.00 175.10 174.10 3i22 s SER 50 N -3.39 4.10 0.00 4.85 1.04 -1.26 -4.84 113.70 114.21 3i22 s SER 50 Ca 0.64 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 54.41 3i22 s SER 50 Cb -0.18 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3i22 s SER 50 CO 0.57 -0.28 0.00 1.17 0.98 0.00 0.00 173.24 175.68 3i22 n LYS 51 N 3.55 0.00 -0.30 4.02 3.00 -1.26 -2.67 118.16 124.51 3i22 n LYS 51 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.43 3i22 n LYS 51 Cb 0.35 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.54 3i22 n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i22 h GLY 52 N 0.00 0.80 1.71 3.14 0.00 -2.03 0.17 103.07 106.86 3i22 h GLY 52 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 3i22 h GLY 52 CO 0.00 -0.35 -0.83 -0.55 0.00 0.00 0.00 176.54 174.80 3i22 h ASP 53 N 0.03 0.34 -0.57 0.19 3.32 -1.90 -3.33 116.42 114.50 3i22 h ASP 53 Ca 0.45 -0.26 0.11 0.00 0.02 0.00 0.00 57.03 57.35 3i22 h ASP 53 Cb 0.77 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.11 3i22 h ASP 53 CO -0.83 1.03 -0.25 0.25 -1.72 0.00 0.00 179.24 177.72 3i22 h LEU 54 N 0.16 -0.88 -2.21 1.55 5.85 -0.86 -2.04 115.31 116.88 3i22 h LEU 54 Ca -0.04 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3i22 h LEU 54 Cb 1.44 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 3i22 h LEU 54 CO 0.13 -0.27 0.27 1.23 -0.34 0.00 0.00 178.44 179.47 3i22 h GLY 55 N -0.11 0.00 0.03 3.75 0.00 -1.62 -2.32 103.07 102.80 3i22 h GLY 55 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3i22 h GLY 55 CO -0.64 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.29 3i22 h LEU 56 N 0.00 -0.04 -1.78 3.11 4.07 -1.59 -3.33 115.31 115.76 3i22 h LEU 56 Ca 0.06 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.16 3i22 h LEU 56 Cb 0.59 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3i22 h LEU 56 CO -0.00 0.32 0.42 0.58 -1.08 0.00 0.00 178.44 178.68 3i22 h VAL 57 N -0.74 0.79 0.00 1.22 2.07 -1.54 0.44 116.25 118.50 3i22 h VAL 57 Ca -0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3i22 h VAL 57 Cb 0.03 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3i22 h VAL 57 CO 0.01 0.04 -0.03 0.40 0.02 0.00 0.00 177.57 178.01 3i22 h ILE 58 N 0.23 0.70 0.00 4.57 2.04 -1.57 0.34 117.51 123.82 3i22 h ILE 58 Ca 0.30 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.88 3i22 h ILE 58 Cb 0.84 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3i22 h ILE 58 CO -0.06 0.03 -1.07 0.00 0.00 0.00 0.00 178.15 177.05 3i22 h ALA 59 N 1.97 0.65 -0.31 1.87 0.00 -0.26 -3.35 119.26 119.82 3i22 h ALA 59 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3i22 h ALA 59 Cb 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i22 h ALA 59 CO 0.00 0.80 0.20 0.00 0.00 0.00 0.00 179.25 180.26 3i22 n LEU 61 N -4.88 1.76 0.06 0.00 -0.00 -0.52 -2.45 117.00 110.97 3i22 n LEU 61 Ca -0.01 -5.02 -0.16 0.00 -0.00 0.00 0.00 56.01 50.82 3i22 n LEU 61 Cb 0.03 0.05 -0.10 0.00 -0.00 0.00 0.00 43.42 43.40 3i22 n LEU 61 CO 0.34 2.06 0.51 -0.65 -0.00 0.00 0.00 177.39 179.65 3i22 h PRO 62 N 4.13 -0.65 0.32 1.47 0.11 -1.73 -3.26 132.00 132.39 3i22 h PRO 62 Ca 0.13 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3i22 h PRO 62 Cb 0.78 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3i22 h PRO 62 CO 0.63 -0.43 -0.16 1.88 -0.21 0.00 0.00 178.00 179.71 3i22 h TYR 63 N -0.67 -0.40 0.00 0.65 0.05 -1.94 -3.52 116.97 111.14 3i22 h TYR 63 Ca 0.01 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3i22 h TYR 63 Cb 0.72 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.60 3i22 h TYR 63 CO -0.52 -0.25 0.00 0.00 -1.05 0.00 0.00 178.16 176.34