#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt4 s LYS 5 N 0.00 0.85 0.20 3.17 0.00 -1.26 -4.33 119.74 118.37 1dt4 s LYS 5 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 55.97 56.15 1dt4 s LYS 5 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 37.83 38.21 1dt4 s LYS 5 CO 0.00 -0.24 0.16 -0.40 0.00 0.00 0.00 175.35 174.87 1dt4 n ASP 6 N 1.28 -0.29 -3.86 0.03 5.68 -0.07 -4.94 116.55 114.37 1dt4 n ASP 6 Ca -0.19 -2.31 -0.15 0.00 -0.50 0.00 0.00 54.79 51.63 1dt4 n ASP 6 Cb 0.56 0.97 -0.15 0.00 -1.14 0.00 0.00 41.12 41.36 1dt4 n ASP 6 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1dt4 s VAL 7 N -2.78 0.17 -0.09 2.12 1.01 -1.26 -2.01 120.40 117.56 1dt4 s VAL 7 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1dt4 s VAL 7 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1dt4 s VAL 7 CO 0.16 0.10 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 1dt4 s VAL 8 N 0.51 2.19 -0.10 2.92 1.01 0.85 -4.98 120.40 122.79 1dt4 s VAL 8 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1dt4 s VAL 8 Cb -0.08 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1dt4 s VAL 8 CO -0.01 0.56 -0.18 -1.61 0.00 0.00 0.00 175.10 173.86 1dt4 s GLU 9 N 0.17 3.09 -0.04 2.72 2.02 -1.26 -0.77 118.70 124.62 1dt4 s GLU 9 Ca -0.13 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.13 1dt4 s GLU 9 Cb -0.16 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 1dt4 s GLU 9 CO 0.07 0.27 -0.17 0.42 0.02 0.00 0.00 175.26 175.87 1dt4 s ILE 10 N 0.18 1.41 -0.21 -1.63 -1.09 0.35 -4.97 121.20 115.24 1dt4 s ILE 10 Ca -0.10 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 57.45 1dt4 s ILE 10 Cb -0.16 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1dt4 s ILE 10 CO 0.06 0.41 0.39 0.00 -1.23 0.00 0.00 174.94 174.57 1dt4 s ALA 11 N 0.03 3.56 -0.08 9.38 0.00 -1.26 -0.15 121.76 133.23 1dt4 s ALA 11 Ca -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1dt4 s ALA 11 Cb -0.11 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1dt4 s ALA 11 CO 0.02 -0.32 -0.02 0.14 0.00 0.00 0.00 175.76 175.58 1dt4 s VAL 12 N 1.35 0.52 0.29 0.00 -7.23 -0.40 -4.94 120.40 109.99 1dt4 s VAL 12 Ca 0.19 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.08 1dt4 s VAL 12 Cb -0.15 -0.64 -0.13 0.00 0.56 0.00 0.00 36.38 36.02 1dt4 s VAL 12 CO 0.08 0.28 1.21 -0.81 -0.31 0.00 0.00 175.10 175.55 1dt4 n PRO 13 N 5.02 1.77 -0.32 4.82 -0.04 -1.26 -0.48 135.00 144.50 1dt4 n PRO 13 Ca -0.09 0.62 0.19 0.00 -0.04 0.00 0.00 63.50 64.18 1dt4 n PRO 13 Cb 0.50 -2.15 0.39 0.00 -0.04 0.00 0.00 33.50 32.21 1dt4 n PRO 13 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1dt4 h GLU 14 N 2.80 0.35 0.00 0.54 4.57 -1.87 0.33 114.58 121.30 1dt4 h GLU 14 Ca -0.43 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1dt4 h GLU 14 Cb 1.31 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1dt4 h GLU 14 CO 0.65 0.23 0.00 0.27 -1.18 0.00 0.00 179.01 178.98 1dt4 n ASN 15 N -5.06 0.00 -0.04 1.04 0.23 -1.26 -3.03 115.26 107.13 1dt4 n ASN 15 Ca 0.27 0.04 -0.04 0.00 -0.53 0.00 0.00 54.58 54.33 1dt4 n ASN 15 Cb 0.83 -0.30 -0.08 0.00 -2.08 0.00 0.00 39.78 38.15 1dt4 n ASN 15 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1dt4 n LEU 16 N -1.30 0.00 -0.43 -4.53 7.99 0.04 -4.71 117.00 114.07 1dt4 n LEU 16 Ca 0.09 0.00 0.37 0.00 -0.01 0.00 0.00 56.01 56.46 1dt4 n LEU 16 Cb 0.16 0.22 0.63 0.00 -0.11 0.00 0.00 43.42 44.31 1dt4 n LEU 16 CO 0.15 0.22 1.13 0.52 -1.51 0.00 0.00 177.39 177.89 1dt4 n VAL 17 N -2.32 -0.26 0.28 4.08 0.31 -0.81 0.03 118.33 119.64 1dt4 n VAL 17 Ca -0.15 1.72 0.18 0.00 -0.01 0.00 0.00 64.34 66.08 1dt4 n VAL 17 Cb 0.77 -2.82 0.94 0.00 -0.91 0.00 0.00 33.84 31.83 1dt4 n VAL 17 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1dt4 h GLY 18 N 0.00 0.00 2.00 2.92 0.00 -1.84 -1.14 103.07 105.01 1dt4 h GLY 18 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1dt4 h GLY 18 CO -0.47 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.07 1dt4 h ALA 19 N 1.86 1.00 0.02 3.60 0.00 -0.77 -3.03 119.26 121.94 1dt4 h ALA 19 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1dt4 h ALA 19 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1dt4 h ALA 19 CO -0.00 0.00 -1.65 -0.89 0.00 0.00 0.00 179.25 176.71 1dt4 n ILE 20 N -2.58 1.57 0.29 0.00 5.41 -0.44 -4.58 119.36 119.03 1dt4 n ILE 20 Ca 0.02 -0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.43 1dt4 n ILE 20 Cb 0.28 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.18 1dt4 n ILE 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1dt4 h LEU 21 N -0.82 -0.96 0.00 1.39 4.07 -1.57 -2.77 115.31 114.64 1dt4 h LEU 21 Ca -0.44 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1dt4 h LEU 21 Cb 1.48 0.29 0.00 0.00 1.08 0.00 0.00 40.66 43.51 1dt4 h LEU 21 CO -0.21 -0.54 0.00 0.61 -1.08 0.00 0.00 178.44 177.22 1dt4 n GLY 22 N -1.45 -1.22 3.44 0.83 0.00 -1.15 -0.70 105.19 104.94 1dt4 n GLY 22 Ca -0.10 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 1dt4 n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dt4 n LYS 23 N 0.00 0.10 -3.96 1.61 0.00 -1.26 -2.78 118.16 111.87 1dt4 n LYS 23 Ca 0.00 -1.19 -0.31 0.00 -0.00 0.00 0.00 58.31 56.81 1dt4 n LYS 23 Cb 0.00 -3.15 0.02 0.00 -0.00 0.00 0.00 35.03 31.90 1dt4 n LYS 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dt4 n GLY 24 N 5.77 -0.48 0.00 2.58 0.00 -1.26 -1.53 105.19 110.27 1dt4 n GLY 24 Ca 0.32 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1dt4 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dt4 n GLY 25 N -1.65 1.15 0.37 -0.02 0.00 -1.12 -5.00 105.19 98.92 1dt4 n GLY 25 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1dt4 n GLY 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dt4 h LYS 26 N 2.77 -0.10 0.84 1.61 5.09 -1.22 0.11 116.57 125.67 1dt4 h LYS 26 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 60.65 60.71 1dt4 h LYS 26 Cb 0.00 0.02 0.01 0.00 0.10 0.00 0.00 32.23 32.36 1dt4 h LYS 26 CO 0.00 -0.07 -0.41 1.15 -2.09 0.00 0.00 179.45 178.04 1dt4 h THR 27 N -0.11 0.00 -1.10 0.07 2.02 -1.16 0.11 112.91 112.74 1dt4 h THR 27 Ca 0.26 -0.05 0.31 0.00 0.77 0.00 0.00 66.41 67.70 1dt4 h THR 27 Cb 0.57 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1dt4 h THR 27 CO -0.81 0.00 0.76 0.25 0.37 0.00 0.00 175.52 176.10 1dt4 h LEU 28 N -1.18 0.17 -0.03 2.58 6.46 -0.70 0.48 115.31 123.09 1dt4 h LEU 28 Ca -0.12 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.50 1dt4 h LEU 28 Cb 0.87 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1dt4 h LEU 28 CO 0.19 0.03 -0.69 0.58 -0.62 0.00 0.00 178.44 177.92 1dt4 h VAL 29 N 0.15 1.37 0.22 1.05 2.07 -0.44 -2.99 116.25 117.68 1dt4 h VAL 29 Ca 0.57 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1dt4 h VAL 29 Cb 1.93 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1dt4 h VAL 29 CO -0.12 0.62 -0.11 -0.08 0.02 0.00 0.00 177.57 177.90 1dt4 h GLU 30 N 0.09 -0.29 -0.74 1.57 4.81 0.25 -1.07 114.58 119.20 1dt4 h GLU 30 Ca -0.08 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1dt4 h GLU 30 Cb 1.38 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.77 1dt4 h GLU 30 CO 0.14 -0.16 0.50 1.88 -0.73 0.00 0.00 179.01 180.63 1dt4 h TYR 31 N -0.33 0.44 -0.22 0.92 0.99 -0.96 0.25 116.97 118.06 1dt4 h TYR 31 Ca -0.03 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 1dt4 h TYR 31 Cb 0.25 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.84 1dt4 h TYR 31 CO -0.05 0.17 -0.23 1.96 -0.00 0.00 0.00 178.16 180.00 1dt4 h GLN 32 N 0.37 0.54 -0.17 4.88 4.20 -1.30 -0.87 115.11 122.77 1dt4 h GLN 32 Ca 0.36 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1dt4 h GLN 32 Cb 0.88 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1dt4 h GLN 32 CO -0.11 0.88 -0.00 0.93 -0.67 0.00 0.00 178.83 179.86 1dt4 h GLU 33 N 0.23 0.05 0.53 1.46 5.08 0.69 0.24 114.58 122.87 1dt4 h GLU 33 Ca 0.03 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1dt4 h GLU 33 Cb 0.79 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1dt4 h GLU 33 CO 0.06 0.03 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.78 1dt4 h LEU 34 N 0.05 -0.60 -1.59 1.33 3.38 -0.90 -3.30 115.31 113.68 1dt4 h LEU 34 Ca 0.08 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1dt4 h LEU 34 Cb 0.10 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1dt4 h LEU 34 CO -0.14 -0.22 -0.19 0.71 0.09 0.00 0.00 178.44 178.70 1dt4 h THR 35 N -1.14 0.65 -1.24 0.22 1.35 -1.23 -3.46 112.91 108.05 1dt4 h THR 35 Ca -0.07 -0.81 -0.12 0.00 -0.55 0.00 0.00 66.41 64.85 1dt4 h THR 35 Cb 0.55 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1dt4 h THR 35 CO 0.12 0.18 -0.17 0.61 -0.25 0.00 0.00 175.52 176.01 1dt4 n GLY 36 N -0.40 0.20 3.44 5.82 0.00 0.84 -4.82 105.19 110.28 1dt4 n GLY 36 Ca -0.01 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1dt4 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dt4 s ARG 38 N -1.24 3.57 -0.13 0.00 1.81 -1.15 -4.40 118.95 117.41 1dt4 s ARG 38 Ca 0.14 0.24 -0.06 0.00 -1.72 0.00 0.00 55.73 54.33 1dt4 s ARG 38 Cb -0.10 -3.93 -0.04 0.00 -0.45 0.00 0.00 34.95 30.43 1dt4 s ARG 38 CO 0.04 -1.26 0.07 0.42 -0.68 0.00 0.00 175.30 173.89 1dt4 s ILE 39 N 3.91 4.93 0.10 1.52 1.01 -1.26 -2.76 121.20 128.65 1dt4 s ILE 39 Ca 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.99 1dt4 s ILE 39 Cb -0.09 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1dt4 s ILE 39 CO 0.27 0.56 0.11 -1.10 0.00 0.00 0.00 174.94 174.79 1dt4 s GLN 40 N -0.55 0.84 0.05 2.79 -0.21 -0.37 -4.99 119.66 117.22 1dt4 s GLN 40 Ca 0.11 -1.17 0.04 0.00 0.02 0.00 0.00 55.36 54.35 1dt4 s GLN 40 Cb -0.12 0.29 -0.02 0.00 1.00 0.00 0.00 33.01 34.15 1dt4 s GLN 40 CO 0.02 -0.24 -0.11 -1.50 -2.12 0.00 0.00 175.29 171.34 1dt4 s ILE 41 N -3.93 0.82 0.71 1.08 2.07 -1.26 0.30 121.20 120.98 1dt4 s ILE 41 Ca 0.11 -1.09 -0.16 0.00 -1.41 0.00 0.00 60.65 58.11 1dt4 s ILE 41 Cb 0.06 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.86 1dt4 s ILE 41 CO -0.06 -0.24 1.21 -0.94 -1.91 0.00 0.00 174.94 173.00 1dt4 s SER 42 N -1.47 4.35 0.29 4.50 1.04 0.11 -4.91 113.70 117.61 1dt4 s SER 42 Ca -0.05 2.38 -0.29 0.00 0.48 0.00 0.00 55.95 58.48 1dt4 s SER 42 Cb -0.09 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.30 1dt4 s SER 42 CO 0.01 -2.16 1.16 2.29 0.98 0.00 0.00 173.24 175.52 1dt4 n LYS 43 N -2.53 1.67 -0.15 4.02 0.00 -1.26 -4.78 118.16 115.13 1dt4 n LYS 43 Ca 0.14 0.59 0.06 0.00 -0.00 0.00 0.00 58.31 59.09 1dt4 n LYS 43 Cb 0.50 -2.07 0.11 0.00 -0.00 0.00 0.00 35.03 33.58 1dt4 n LYS 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1dt4 n LYS 44 N 0.89 -0.04 0.00 -1.58 4.76 -1.26 0.94 118.16 121.87 1dt4 n LYS 44 Ca 0.09 0.66 0.15 0.00 -2.87 0.00 0.00 58.31 56.33 1dt4 n LYS 44 Cb 0.33 -1.03 0.74 0.00 -1.84 0.00 0.00 35.03 33.23 1dt4 n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dt4 n GLY 45 N -1.23 -0.67 3.55 0.72 0.00 -1.26 -4.84 105.19 101.45 1dt4 n GLY 45 Ca 0.09 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1dt4 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dt4 s GLU 46 N -2.10 3.62 0.46 1.61 2.56 0.27 -5.06 118.70 120.05 1dt4 s GLU 46 Ca 0.41 -0.52 0.05 0.00 0.00 0.00 0.00 54.97 54.91 1dt4 s GLU 46 Cb 0.21 -3.77 -0.03 0.00 2.00 0.00 0.00 34.13 32.54 1dt4 s GLU 46 CO 0.38 -0.40 0.12 -0.06 -0.56 0.00 0.00 175.26 174.75 1dt4 s PHE 47 N 1.79 2.21 0.44 5.30 2.99 -1.26 -4.22 117.98 125.23 1dt4 s PHE 47 Ca 0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 56.93 56.03 1dt4 s PHE 47 Cb -0.17 -1.80 -0.09 0.00 0.00 0.00 0.00 43.02 40.95 1dt4 s PHE 47 CO 0.11 0.16 1.01 -0.51 -0.00 0.00 0.00 175.22 175.99 1dt4 s LEU 48 N -3.91 3.96 0.00 -0.37 2.01 -0.73 -4.94 118.68 114.70 1dt4 s LEU 48 Ca 0.28 1.87 0.00 0.00 0.01 0.00 0.00 54.13 56.29 1dt4 s LEU 48 Cb 0.04 -4.45 0.00 0.00 0.01 0.00 0.00 46.19 41.78 1dt4 s LEU 48 CO 0.15 -0.56 0.01 -0.81 1.01 0.00 0.00 176.35 176.15 1dt4 n PRO 49 N -0.61 0.00 -1.32 1.29 -0.04 -1.26 -1.65 135.00 131.40 1dt4 n PRO 49 Ca 0.07 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1dt4 n PRO 49 Cb 0.52 -0.03 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1dt4 n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dt4 n GLY 50 N -0.24 4.74 0.66 0.55 0.00 -1.26 -4.92 105.19 104.72 1dt4 n GLY 50 Ca 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 1dt4 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dt4 n THR 51 N 0.15 0.00 -1.23 2.61 -2.24 -0.66 -5.06 114.28 107.85 1dt4 n THR 51 Ca 0.46 -0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1dt4 n THR 51 Cb 0.54 0.21 0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1dt4 n THR 51 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1dt4 n ARG 52 N -0.11 1.08 -3.16 -0.78 0.00 -1.26 -4.44 116.66 107.99 1dt4 n ARG 52 Ca -0.00 -2.34 -0.39 0.00 -0.00 0.00 0.00 57.85 55.12 1dt4 n ARG 52 Cb 0.11 -1.34 -0.06 0.00 -0.00 0.00 0.00 32.46 31.18 1dt4 n ARG 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1dt4 s ASN 53 N -2.58 6.75 1.00 2.89 0.01 -1.26 -2.73 114.94 119.02 1dt4 s ASN 53 Ca 0.27 0.91 -0.14 0.00 -0.71 0.00 0.00 52.86 53.19 1dt4 s ASN 53 Cb 0.24 -2.35 0.19 0.00 0.41 0.00 0.00 41.25 39.74 1dt4 s ASN 53 CO 0.02 -0.16 1.14 -0.13 -1.51 0.00 0.00 177.10 176.47 1dt4 s ARG 54 N 1.28 0.40 -0.16 -0.60 1.81 0.36 -1.78 118.95 120.27 1dt4 s ARG 54 Ca 0.30 0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.52 1dt4 s ARG 54 Cb -0.16 -1.76 0.02 0.00 -0.45 0.00 0.00 34.95 32.59 1dt4 s ARG 54 CO 0.12 -2.68 -0.20 -1.59 -0.68 0.00 0.00 175.30 170.28 1dt4 s LYS 55 N -5.29 2.89 -0.16 3.54 -2.85 -1.26 -1.28 119.74 115.34 1dt4 s LYS 55 Ca 0.67 -0.80 -0.07 0.00 -1.00 0.00 0.00 55.97 54.77 1dt4 s LYS 55 Cb -0.14 -2.45 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 1dt4 s LYS 55 CO 0.55 -0.15 0.09 0.08 0.10 0.00 0.00 175.35 176.02 1dt4 s VAL 56 N 1.15 5.07 -0.14 1.79 1.01 0.78 0.07 120.40 130.13 1dt4 s VAL 56 Ca 0.01 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1dt4 s VAL 56 Cb -0.14 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1dt4 s VAL 56 CO -0.09 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.49 1dt4 s THR 57 N -0.20 1.63 -0.16 3.92 2.01 0.15 -0.49 115.64 122.49 1dt4 s THR 57 Ca 0.09 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1dt4 s THR 57 Cb -0.12 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1dt4 s THR 57 CO 0.01 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 1dt4 s ILE 58 N 1.31 3.76 -0.03 1.82 1.01 0.05 -1.24 121.20 127.87 1dt4 s ILE 58 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1dt4 s ILE 58 Cb -0.13 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1dt4 s ILE 58 CO -0.08 0.49 -0.04 0.42 0.00 0.00 0.00 174.94 175.72 1dt4 s THR 59 N 0.49 0.49 -2.79 2.92 -4.23 -1.11 -0.11 115.64 111.30 1dt4 s THR 59 Ca -0.04 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1dt4 s THR 59 Cb -0.14 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1dt4 s THR 59 CO 0.03 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1dt4 n GLY 60 N 3.83 -0.58 3.73 3.99 0.00 -0.85 -2.92 105.19 112.39 1dt4 n GLY 60 Ca -0.24 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1dt4 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dt4 s THR 61 N -3.52 2.05 0.37 2.61 2.01 -1.26 -0.89 115.64 117.00 1dt4 s THR 61 Ca 0.00 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1dt4 s THR 61 Cb 0.00 -3.01 0.29 0.00 0.01 0.00 0.00 72.50 69.78 1dt4 s THR 61 CO 0.00 -0.01 1.99 -0.65 -0.69 0.00 0.00 174.62 175.26 1dt4 h PRO 62 N 0.68 0.70 -0.09 4.92 0.11 -1.92 0.18 132.00 136.59 1dt4 h PRO 62 Ca -0.51 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.32 1dt4 h PRO 62 Cb 1.33 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1dt4 h PRO 62 CO 0.54 0.46 -0.88 0.00 -0.21 0.00 0.00 178.00 177.91 1dt4 h ALA 63 N 1.63 0.26 -0.23 -0.75 0.00 -1.97 -2.35 119.26 115.87 1dt4 h ALA 63 Ca 0.27 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1dt4 h ALA 63 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dt4 h ALA 63 CO -0.08 0.70 -0.45 0.00 0.00 0.00 0.00 179.25 179.42 1dt4 h ALA 64 N 0.53 0.79 0.00 0.00 0.00 -1.71 -2.16 119.26 116.70 1dt4 h ALA 64 Ca -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1dt4 h ALA 64 Cb 1.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1dt4 h ALA 64 CO 0.18 0.66 -0.26 1.79 0.00 0.00 0.00 179.25 181.61 1dt4 h THR 65 N 0.46 0.64 0.42 0.00 1.35 -0.67 -1.06 112.91 114.04 1dt4 h THR 65 Ca 0.03 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 1dt4 h THR 65 Cb 0.97 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1dt4 h THR 65 CO 0.09 0.26 -0.20 -0.61 -0.25 0.00 0.00 175.52 174.80 1dt4 h GLN 66 N 0.00 -0.54 0.24 4.72 5.75 -1.11 -1.15 115.11 123.03 1dt4 h GLN 66 Ca -0.00 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1dt4 h GLN 66 Cb 0.79 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 1dt4 h GLN 66 CO 0.03 -0.24 -0.35 0.00 -2.65 0.00 0.00 178.83 175.62 1dt4 h ALA 67 N -0.76 -0.96 -0.76 3.38 0.00 -1.31 -1.32 119.26 117.54 1dt4 h ALA 67 Ca -0.06 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1dt4 h ALA 67 Cb 0.54 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1dt4 h ALA 67 CO 0.09 -1.01 -0.24 0.00 0.00 0.00 0.00 179.25 178.10 1dt4 h ALA 68 N -1.07 0.37 -0.31 0.00 0.00 -1.30 0.30 119.26 117.26 1dt4 h ALA 68 Ca -0.03 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1dt4 h ALA 68 Cb 0.56 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1dt4 h ALA 68 CO -0.10 -0.48 -0.49 0.37 0.00 0.00 0.00 179.25 178.55 1dt4 h GLN 69 N -0.04 -0.37 -0.60 0.00 -0.00 -0.83 0.74 115.11 114.01 1dt4 h GLN 69 Ca 0.34 0.03 0.12 0.00 -0.00 0.00 0.00 58.65 59.14 1dt4 h GLN 69 Cb 0.57 0.08 -0.12 0.00 0.00 0.00 0.00 27.48 28.02 1dt4 h GLN 69 CO -0.79 -0.25 -0.21 -0.92 0.00 0.00 0.00 178.83 176.67 1dt4 h TYR 70 N -0.38 -0.49 0.13 3.99 3.20 0.69 -0.35 116.97 123.75 1dt4 h TYR 70 Ca 0.06 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1dt4 h TYR 70 Cb 0.54 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1dt4 h TYR 70 CO -0.68 -0.30 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.26 1dt4 h LEU 71 N -0.06 -0.56 -0.32 2.82 3.38 -0.04 0.54 115.31 121.07 1dt4 h LEU 71 Ca 0.28 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.39 1dt4 h LEU 71 Cb 0.49 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1dt4 h LEU 71 CO -0.65 -0.29 -0.24 0.40 0.09 0.00 0.00 178.44 177.75 1dt4 h ILE 72 N -0.39 0.37 -0.06 1.22 1.08 -0.04 -2.16 117.51 117.53 1dt4 h ILE 72 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1dt4 h ILE 72 Cb 0.40 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1dt4 h ILE 72 CO -0.10 0.00 -0.12 0.74 -0.69 0.00 0.00 178.15 177.98 1dt4 h THR 73 N -0.21 1.12 -0.49 -0.27 2.02 -0.84 -2.94 112.91 111.31 1dt4 h THR 73 Ca 0.16 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.86 1dt4 h THR 73 Cb 0.46 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1dt4 h THR 73 CO -0.44 0.16 0.17 -0.61 0.37 0.00 0.00 175.52 175.17 1dt4 h GLN 74 N 0.08 0.33 -0.92 6.66 4.15 -0.20 -2.70 115.11 122.50 1dt4 h GLN 74 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1dt4 h GLN 74 Cb 0.27 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1dt4 h GLN 74 CO 0.02 0.22 0.53 0.00 -1.93 0.00 0.00 178.83 177.66 1dt4 h ARG 75 N 0.34 1.27 0.00 1.69 3.08 -1.50 -3.52 114.38 115.74 1dt4 h ARG 75 Ca 0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1dt4 h ARG 75 Cb 0.25 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1dt4 h ARG 75 CO -0.25 0.91 0.00 -0.89 -1.07 0.00 0.00 179.97 178.67