#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1no1 h GLU 3 N 0.00 1.01 0.00 6.28 5.08 -1.97 0.29 114.58 125.27 1no1 h GLU 3 Ca 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1no1 h GLU 3 Cb 0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1no1 h GLU 3 CO 0.00 0.68 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.45 1no1 h LYS 4 N 1.04 0.00 0.00 2.33 3.64 -2.00 -0.98 116.57 120.60 1no1 h LYS 4 Ca 0.28 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1no1 h LYS 4 Cb -0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1no1 h LYS 4 CO -0.06 0.02 -1.08 -0.44 -2.27 0.00 0.00 179.45 175.62 1no1 h ASP 5 N 0.00 0.00 -0.32 4.20 3.32 -1.39 -3.19 116.42 119.03 1no1 h ASP 5 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1no1 h ASP 5 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1no1 h ASP 5 CO 0.00 0.39 -0.43 0.58 -1.72 0.00 0.00 179.24 178.06 1no1 h VAL 6 N 0.00 1.28 -0.99 -1.35 2.07 -0.90 -2.14 116.25 114.22 1no1 h VAL 6 Ca -0.09 -1.61 0.17 0.00 0.82 0.00 0.00 66.70 65.99 1no1 h VAL 6 Cb 1.37 1.53 -0.09 0.00 -1.52 0.00 0.00 31.29 32.58 1no1 h VAL 6 CO 0.04 0.53 0.62 0.58 0.02 0.00 0.00 177.57 179.35 1no1 h VAL 7 N 0.65 0.78 -0.50 2.57 2.07 -1.27 -0.33 116.25 120.22 1no1 h VAL 7 Ca 0.04 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1no1 h VAL 7 Cb 1.03 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1no1 h VAL 7 CO 0.10 0.14 0.04 1.56 0.02 0.00 0.00 177.57 179.44 1no1 h GLN 8 N 0.79 0.85 -0.34 1.57 4.20 -1.45 -1.21 115.11 119.53 1no1 h GLN 8 Ca 0.53 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1no1 h GLN 8 Cb 0.79 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1no1 h GLN 8 CO -0.31 0.87 0.13 0.82 -0.67 0.00 0.00 178.83 179.66 1no1 h ILE 9 N 0.72 1.19 -0.47 2.54 1.08 -0.75 -2.37 117.51 119.46 1no1 h ILE 9 Ca 0.15 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 1no1 h ILE 9 Cb 0.45 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1no1 h ILE 9 CO 0.02 0.21 0.12 -0.07 -0.69 0.00 0.00 178.15 177.73 1no1 h LEU 10 N 0.40 0.65 -0.47 1.44 3.38 -0.95 -1.94 115.31 117.82 1no1 h LEU 10 Ca 0.11 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1no1 h LEU 10 Cb 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1no1 h LEU 10 CO -0.01 0.64 -0.00 0.11 0.09 0.00 0.00 178.44 179.27 1no1 h LYS 11 N 0.68 0.83 -0.85 1.13 1.57 -1.07 -2.52 116.57 116.33 1no1 h LYS 11 Ca 0.15 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1no1 h LYS 11 Cb 0.25 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1no1 h LYS 11 CO -0.00 0.88 0.54 0.00 -0.57 0.00 0.00 179.45 180.30 1no1 h ALA 12 N 0.92 1.14 -0.55 3.86 0.00 -1.03 -0.62 119.26 122.98 1no1 h ALA 12 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1no1 h ALA 12 Cb 0.51 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1no1 h ALA 12 CO 0.02 0.35 0.29 0.28 0.00 0.00 0.00 179.25 180.20 1no1 h VAL 13 N 1.03 1.19 0.00 0.00 2.07 -1.23 -1.70 116.25 117.61 1no1 h VAL 13 Ca 0.35 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1no1 h VAL 13 Cb 0.06 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1no1 h VAL 13 CO -0.13 0.20 0.00 0.77 0.02 0.00 0.00 177.57 178.43 1no1 h SER 14 N 0.74 0.00 0.36 0.57 4.64 -0.98 -1.25 113.55 117.63 1no1 h SER 14 Ca 0.19 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 1no1 h SER 14 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1no1 h SER 14 CO -0.03 0.00 -0.75 -0.33 -0.87 0.00 0.00 176.83 174.85 1no1 h GLU 15 N 0.00 0.32 -0.02 4.77 5.08 -0.38 -3.21 114.58 121.15 1no1 h GLU 15 Ca 0.00 -0.28 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 1no1 h GLU 15 Cb 0.64 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1no1 h GLU 15 CO 0.00 0.93 -0.88 0.74 -1.00 0.00 0.00 179.01 178.81 1no1 h PHE 16 N 0.21 0.51 -2.22 4.33 -1.00 -0.97 -3.39 116.94 114.41 1no1 h PHE 16 Ca -0.03 -0.27 -0.60 0.00 2.81 0.00 0.00 57.97 59.88 1no1 h PHE 16 Cb 1.33 -0.06 -0.42 0.00 3.61 0.00 0.00 35.95 40.41 1no1 h PHE 16 CO 0.04 1.07 -0.61 0.66 -1.61 0.00 0.00 178.31 177.86 1no1 n TYR 17 N -3.74 3.80 -1.69 -0.55 4.02 -0.50 -5.09 117.16 113.40 1no1 n TYR 17 Ca -0.05 -4.10 -0.44 0.00 -0.01 0.00 0.00 57.90 53.29 1no1 n TYR 17 Cb 0.80 -0.54 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 1no1 n TYR 17 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1no1 n PRO 18 N 0.46 2.29 0.00 -0.72 -0.02 -1.21 -2.09 135.00 133.72 1no1 n PRO 18 Ca 0.30 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 1no1 n PRO 18 Cb 0.40 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1no1 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1no1 n GLY 19 N 2.77 2.88 0.29 -1.23 0.00 -1.26 -4.81 105.19 103.84 1no1 n GLY 19 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1no1 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1no1 n ARG 20 N -2.00 0.83 -3.51 1.61 1.74 -0.89 -4.92 116.66 109.52 1no1 n ARG 20 Ca 0.00 -1.17 -0.24 0.00 -0.77 0.00 0.00 57.85 55.67 1no1 n ARG 20 Cb 0.00 -1.13 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 1no1 n ARG 20 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1no1 s PHE 21 N -0.68 0.04 -0.38 -1.55 5.36 -1.23 -4.83 117.98 114.72 1no1 s PHE 21 Ca 0.09 -0.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.63 1no1 s PHE 21 Cb 0.06 -0.70 0.17 0.00 -0.34 0.00 0.00 43.02 42.21 1no1 s PHE 21 CO 0.08 -0.77 0.47 -0.65 -1.46 0.00 0.00 175.22 172.89 1no1 s GLN 22 N 2.20 0.69 0.33 10.12 1.11 -1.26 -4.83 119.66 128.01 1no1 s GLN 22 Ca 0.08 -0.56 -0.29 0.00 0.01 0.00 0.00 55.36 54.60 1no1 s GLN 22 Cb -0.15 -0.39 -0.12 0.00 -1.01 0.00 0.00 33.01 31.34 1no1 s GLN 22 CO -0.29 -1.18 1.34 -2.30 0.01 0.00 0.00 175.29 172.87 1no1 n PRO 23 N 4.39 2.19 0.13 2.91 -0.02 -1.26 -4.87 135.00 138.48 1no1 n PRO 23 Ca 0.10 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.48 1no1 n PRO 23 Cb 0.50 -2.39 0.49 0.00 -0.02 0.00 0.00 33.50 32.08 1no1 n PRO 23 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1no1 n ASP 24 N 1.00 0.73 -3.30 2.55 5.75 -1.26 -4.17 116.55 117.84 1no1 n ASP 24 Ca 0.05 0.66 -0.19 0.00 -0.01 0.00 0.00 54.79 55.31 1no1 n ASP 24 Cb 0.36 -0.82 -0.07 0.00 -1.03 0.00 0.00 41.12 39.55 1no1 n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1no1 s ASP 25 N -4.35 1.04 0.19 -1.12 -1.08 -1.26 -5.04 116.67 105.04 1no1 s ASP 25 Ca 0.05 -2.01 -0.12 0.00 -0.52 0.00 0.00 52.55 49.95 1no1 s ASP 25 Cb 0.10 0.42 0.13 0.00 -1.46 0.00 0.00 42.92 42.10 1no1 s ASP 25 CO 0.42 -0.21 1.83 0.25 0.52 0.00 0.00 175.17 177.98 1no1 h LEU 26 N 6.45 0.60 -0.62 -1.34 6.46 -1.99 -0.67 115.31 124.20 1no1 h LEU 26 Ca 0.11 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1no1 h LEU 26 Cb 1.02 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1no1 h LEU 26 CO 0.22 0.42 0.40 0.11 -0.62 0.00 0.00 178.44 178.96 1no1 h LYS 27 N 0.72 0.77 -0.43 1.25 1.57 -1.96 0.22 116.57 118.72 1no1 h LYS 27 Ca 0.23 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1no1 h LYS 27 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1no1 h LYS 27 CO -0.09 0.51 -0.16 0.78 -0.57 0.00 0.00 179.45 179.91 1no1 h GLY 28 N 0.79 0.88 1.04 3.86 0.00 -1.87 -1.66 103.07 106.11 1no1 h GLY 28 Ca 0.24 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1no1 h GLY 28 CO -0.08 0.65 -0.00 -0.84 0.00 0.00 0.00 176.54 176.26 1no1 h THR 29 N 0.72 1.26 -0.48 4.70 2.02 -0.61 -2.44 112.91 118.08 1no1 h THR 29 Ca 0.11 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1no1 h THR 29 Cb 0.67 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1no1 h THR 29 CO 0.05 0.40 0.25 0.58 0.37 0.00 0.00 175.52 177.16 1no1 h VAL 30 N 0.83 0.97 -0.64 3.16 2.07 -0.80 -0.58 116.25 121.27 1no1 h VAL 30 Ca 0.15 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1no1 h VAL 30 Cb 0.54 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1no1 h VAL 30 CO 0.03 0.09 0.18 0.11 0.02 0.00 0.00 177.57 177.99 1no1 h LYS 31 N 0.49 0.99 -0.06 1.57 6.56 -1.16 -2.08 116.57 122.89 1no1 h LYS 31 Ca 0.21 -0.21 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 1no1 h LYS 31 Cb 0.11 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1no1 h LYS 31 CO -0.14 0.87 -0.19 0.00 -2.06 0.00 0.00 179.45 177.92 1no1 h ALA 32 N 1.23 0.10 0.00 3.86 0.00 -1.14 -3.22 119.26 120.09 1no1 h ALA 32 Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1no1 h ALA 32 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1no1 h ALA 32 CO -0.00 0.06 -0.09 -1.49 0.00 0.00 0.00 179.25 177.72 1no1 h TRP 33 N -0.30 0.00 0.00 0.00 4.06 -1.13 -2.39 115.95 116.19 1no1 h TRP 33 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1no1 h TRP 33 Cb 0.83 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1no1 h TRP 33 CO 0.13 0.09 -0.06 1.25 -3.56 0.00 0.00 178.44 176.29 1no1 h HIS 34 N 0.00 0.00 0.00 0.49 2.76 -1.38 0.63 115.15 117.65 1no1 h HIS 34 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1no1 h HIS 34 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1no1 h HIS 34 CO 0.00 0.06 -0.21 0.00 -1.30 0.00 0.00 177.93 176.48 1no1 h ARG 35 N 0.00 0.00 0.00 5.26 3.08 -1.46 -2.53 114.38 118.73 1no1 h ARG 35 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1no1 h ARG 35 Cb 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1no1 h ARG 35 CO 0.01 0.21 -1.91 0.28 -1.07 0.00 0.00 179.97 177.49 1no1 n VAL 36 N -3.69 1.53 0.37 2.04 0.31 -0.78 -4.60 118.33 113.51 1no1 n VAL 36 Ca -0.01 -0.21 0.06 0.00 -0.01 0.00 0.00 64.34 64.17 1no1 n VAL 36 Cb 0.32 -1.96 0.25 0.00 -0.91 0.00 0.00 33.84 31.54 1no1 n VAL 36 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1no1 n LEU 37 N -4.34 0.04 0.18 7.52 4.77 0.15 -2.99 117.00 122.32 1no1 n LEU 37 Ca -0.43 0.51 0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1no1 n LEU 37 Cb 0.78 -0.51 0.78 0.00 -2.33 0.00 0.00 43.42 42.15 1no1 n LEU 37 CO 0.11 -0.33 1.14 0.00 -1.33 0.00 0.00 177.39 176.98 1no1 h ALA 38 N 2.37 1.94 -0.14 -1.18 0.00 -1.70 -2.07 119.26 118.48 1no1 h ALA 38 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1no1 h ALA 38 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1no1 h ALA 38 CO 0.00 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.35 1no1 n GLU 39 N -4.03 1.68 -4.38 0.00 1.02 -1.16 -4.91 120.64 108.86 1no1 n GLU 39 Ca 0.02 -1.02 -0.23 0.00 -0.02 0.00 0.00 57.16 55.91 1no1 n GLU 39 Cb 0.32 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 1no1 n GLU 39 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1no1 s TYR 40 N -1.83 2.01 0.09 -0.32 1.51 -0.78 -5.14 117.35 112.90 1no1 s TYR 40 Ca 0.33 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.76 1no1 s TYR 40 Cb 0.18 -0.97 -0.07 0.00 -0.11 0.00 0.00 41.96 40.99 1no1 s TYR 40 CO 0.27 0.45 0.60 -1.21 -1.11 0.00 0.00 175.55 174.55 1no1 s GLU 41 N -3.01 4.26 0.14 -0.62 0.41 -1.26 -4.92 118.70 113.70 1no1 s GLU 41 Ca 0.20 0.81 -0.26 0.00 -0.41 0.00 0.00 54.97 55.31 1no1 s GLU 41 Cb -0.05 -3.23 -0.01 0.00 -1.78 0.00 0.00 34.13 29.05 1no1 s GLU 41 CO 0.09 0.62 1.60 1.25 -0.49 0.00 0.00 175.26 178.33 1no1 h LEU 42 N 4.48 -1.15 -1.71 1.80 5.85 -1.96 -2.36 115.31 120.25 1no1 h LEU 42 Ca -0.49 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1no1 h LEU 42 Cb 1.21 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1no1 h LEU 42 CO 0.64 -0.37 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.01 1no1 h GLU 43 N -0.38 0.15 -0.17 1.25 4.39 -2.01 -2.79 114.58 115.01 1no1 h GLU 43 Ca 0.11 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1no1 h GLU 43 Cb 0.57 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1no1 h GLU 43 CO -0.43 0.19 -0.35 1.49 -1.16 0.00 0.00 179.01 178.75 1no1 h GLU 44 N 0.15 0.54 -1.75 2.33 4.81 -1.85 -2.27 114.58 116.54 1no1 h GLU 44 Ca 0.04 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1no1 h GLU 44 Cb 0.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1no1 h GLU 44 CO 0.00 0.96 0.00 -0.89 -0.73 0.00 0.00 179.01 178.36 1no1 n ILE 45 N -4.32 0.32 0.00 2.32 2.08 -1.04 -1.94 119.36 116.78 1no1 n ILE 45 Ca -0.06 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1no1 n ILE 45 Cb 0.51 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.69 1no1 n ILE 45 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1no1 n ASN 47 N 0.98 0.00 0.03 4.38 5.03 -0.85 -1.28 115.26 123.55 1no1 n ASN 47 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 1no1 n ASN 47 Cb 0.14 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.06 1no1 n ASN 47 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1no1 h ASN 48 N 0.00 0.46 -0.71 6.41 2.35 -1.68 -2.73 115.58 119.68 1no1 h ASN 48 Ca 0.00 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1no1 h ASN 48 Cb 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1no1 h ASN 48 CO 0.00 0.81 0.30 0.25 -1.65 0.00 0.00 177.43 177.14 1no1 h LEU 49 N 0.37 0.96 -0.15 1.61 5.85 -1.48 -1.63 115.31 120.83 1no1 h LEU 49 Ca 0.04 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1no1 h LEU 49 Cb 0.85 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1no1 h LEU 49 CO 0.07 0.86 0.09 0.74 -0.34 0.00 0.00 178.44 179.86 1no1 h THR 50 N 1.00 1.08 -0.33 1.05 2.02 -1.81 0.74 112.91 116.66 1no1 h THR 50 Ca 0.24 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1no1 h THR 50 Cb 0.18 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1no1 h THR 50 CO -0.02 0.07 0.10 0.44 0.37 0.00 0.00 175.52 176.48 1no1 h ASP 51 N 0.17 0.42 -0.32 4.18 3.32 -1.34 -2.71 116.42 120.15 1no1 h ASP 51 Ca 0.05 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1no1 h ASP 51 Cb 0.03 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1no1 h ASP 51 CO -0.01 0.41 -0.37 0.22 -1.72 0.00 0.00 179.24 177.78 1no1 h TYR 52 N 0.47 0.98 0.00 4.55 3.20 -0.67 -3.10 116.97 122.39 1no1 h TYR 52 Ca 0.11 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1no1 h TYR 52 Cb 0.15 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1no1 h TYR 52 CO 0.01 1.10 -0.12 0.00 -1.64 0.00 0.00 178.16 177.50 1no1 h ALA 53 N 0.72 1.08 -0.10 1.82 0.00 -0.59 -2.79 119.26 119.41 1no1 h ALA 53 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1no1 h ALA 53 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1no1 h ALA 53 CO 0.09 0.15 -0.00 0.87 0.00 0.00 0.00 179.25 180.36 1no1 h LYS 54 N 0.00 0.14 0.00 0.00 1.57 -1.41 -3.35 116.57 113.52 1no1 h LYS 54 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1no1 h LYS 54 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1no1 h LYS 54 CO 0.02 0.16 0.00 1.33 -0.57 0.00 0.00 179.45 180.39 1no1 n VAL 55 N -4.45 0.55 -4.81 0.50 0.24 -1.07 -5.06 118.33 104.23 1no1 n VAL 55 Ca -0.01 -0.60 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 1no1 n VAL 55 Cb 0.14 0.78 -0.17 0.00 -1.47 0.00 0.00 33.84 33.12 1no1 n VAL 55 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1no1 s ASN 56 N -0.55 2.67 0.28 -1.34 0.01 -1.10 -5.03 114.94 109.88 1no1 s ASN 56 Ca 0.00 -0.48 0.24 0.00 -0.71 0.00 0.00 52.86 51.91 1no1 s ASN 56 Cb 0.00 -1.22 0.52 0.00 0.41 0.00 0.00 41.25 40.96 1no1 s ASN 56 CO 0.00 0.09 1.60 0.07 -1.51 0.00 0.00 177.10 177.34 1no1 h LYS 57 N 7.04 0.00 -6.14 -0.60 2.10 -1.91 -3.46 116.57 113.59 1no1 h LYS 57 Ca -0.27 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.74 1no1 h LYS 57 Cb 1.21 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.44 1no1 h LYS 57 CO 0.49 0.00 -0.60 -0.06 -2.00 0.00 0.00 179.45 177.28 1no1 s PHE 58 N -3.17 3.19 0.64 0.07 0.40 -1.26 -5.09 117.98 112.76 1no1 s PHE 58 Ca 0.08 0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.33 1no1 s PHE 58 Cb 0.10 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 1no1 s PHE 58 CO 0.65 0.52 1.30 -2.30 0.70 0.00 0.00 175.22 176.09 1no1 n PRO 59 N 0.76 1.15 -2.04 0.24 -0.02 -1.26 -4.98 135.00 128.85 1no1 n PRO 59 Ca -0.11 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 1no1 n PRO 59 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1no1 n PRO 59 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1no1 s PRO 60 N -3.34 3.51 0.62 0.52 0.04 -1.26 -5.10 135.00 130.00 1no1 s PRO 60 Ca 0.82 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1no1 s PRO 60 Cb -0.38 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.18 1no1 s PRO 60 CO 0.41 -0.64 0.86 0.95 0.04 0.00 0.00 177.00 178.62 1no1 s THR 61 N -2.75 2.33 0.43 1.26 -4.23 -1.26 -4.98 115.64 106.43 1no1 s THR 61 Ca 0.59 -0.75 0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1no1 s THR 61 Cb -0.13 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.33 1no1 s THR 61 CO 0.41 0.00 1.99 1.62 -0.54 0.00 0.00 174.62 178.11 1no1 h VAL 62 N -0.12 1.13 0.00 2.29 3.04 -1.99 -2.11 116.25 118.48 1no1 h VAL 62 Ca -0.36 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 1no1 h VAL 62 Cb 1.28 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1no1 h VAL 62 CO 0.43 0.17 0.00 0.77 -1.01 0.00 0.00 177.57 177.93 1no1 h SER 63 N 0.19 0.00 1.30 3.17 4.64 -2.02 -2.70 113.55 118.14 1no1 h SER 63 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1no1 h SER 63 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1no1 h SER 63 CO 0.01 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.41 1no1 h ASP 64 N 0.00 0.00 -0.63 4.97 3.32 -1.76 -3.32 116.42 119.01 1no1 h ASP 64 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1no1 h ASP 64 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1no1 h ASP 64 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1no1 n LEU 65 N -2.51 3.84 -0.00 1.55 4.77 -1.02 -4.55 117.00 119.08 1no1 n LEU 65 Ca 0.04 -1.93 0.09 0.00 -0.03 0.00 0.00 56.01 54.18 1no1 n LEU 65 Cb 0.38 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.86 1no1 n LEU 65 CO 0.28 0.82 -0.31 0.18 -1.33 0.00 0.00 177.39 177.02 1no1 n LEU 66 N 1.24 0.55 0.00 2.23 4.77 -1.25 -4.78 117.00 119.77 1no1 n LEU 66 Ca 0.22 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1no1 n LEU 66 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1no1 n LEU 66 CO 0.18 0.14 0.00 0.29 -1.33 0.00 0.00 177.39 176.67