#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 1.21 0.00 6.28 5.08 -1.98 -1.54 114.58 123.63 1no1 h GLU 3 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1no1 h GLU 3 Cb 0.00 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 1no1 h GLU 3 CO 0.00 0.80 -0.13 0.87 -1.00 0.00 0.00 179.01 179.55 1no1 h LYS 4 N 1.25 0.00 0.00 2.33 1.79 -2.01 -0.74 116.57 119.19 1no1 h LYS 4 Ca 0.36 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.66 1no1 h LYS 4 Cb -0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1no1 h LYS 4 CO -0.09 0.13 -0.80 -0.44 -1.08 0.00 0.00 179.45 177.18 1no1 h ASP 5 N 0.00 0.00 -0.39 0.86 3.32 -1.73 -2.95 116.42 115.52 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 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1no1 h ASP 5 CO 0.02 0.80 -0.36 0.58 -1.72 0.00 0.00 179.24 178.56 1no1 h VAL 6 N 0.00 1.27 -0.96 -1.35 2.07 -1.04 -2.65 116.25 113.59 1no1 h VAL 6 Ca -0.01 -1.53 0.14 0.00 0.82 0.00 0.00 66.70 66.13 1no1 h VAL 6 Cb 1.47 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 1no1 h VAL 6 CO 0.10 0.51 0.61 0.58 0.02 0.00 0.00 177.57 179.40 1no1 h VAL 7 N 0.78 0.84 -0.23 2.57 2.07 -1.12 -1.99 116.25 119.17 1no1 h VAL 7 Ca 0.07 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1no1 h VAL 7 Cb 0.95 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1no1 h VAL 7 CO 0.09 0.15 -0.10 1.56 0.02 0.00 0.00 177.57 179.29 1no1 h GLN 8 N 0.83 0.47 -0.60 1.57 4.20 -1.31 -2.22 115.11 118.05 1no1 h GLN 8 Ca 0.50 -0.20 0.11 0.00 0.06 0.00 0.00 58.65 59.11 1no1 h GLN 8 Cb 0.67 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 1no1 h GLN 8 CO -0.26 0.74 0.13 0.82 -0.67 0.00 0.00 178.83 179.58 1no1 h ILE 9 N 0.19 0.64 -0.02 2.54 1.08 -1.17 -1.59 117.51 119.18 1no1 h ILE 9 Ca 0.05 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1no1 h ILE 9 Cb 0.59 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1no1 h ILE 9 CO 0.03 0.05 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.08 1no1 h LEU 10 N 0.26 0.05 -0.99 1.44 3.38 -1.28 -1.99 115.31 116.17 1no1 h LEU 10 Ca 0.31 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 1no1 h LEU 10 Cb 0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1no1 h LEU 10 CO -0.40 0.43 -0.50 0.50 0.09 0.00 0.00 178.44 178.56 1no1 h LYS 11 N 0.04 0.00 -0.10 1.13 1.63 -0.72 -2.53 116.57 116.01 1no1 h LYS 11 Ca 0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.61 1no1 h LYS 11 Cb 0.71 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1no1 h LYS 11 CO 0.05 0.50 -0.70 0.00 -3.45 0.00 0.00 179.45 175.86 1no1 h ALA 12 N 1.50 0.23 -0.68 5.00 0.00 -0.61 -1.60 119.26 123.10 1no1 h ALA 12 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1no1 h ALA 12 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1no1 h ALA 12 CO 0.07 0.55 0.41 0.28 0.00 0.00 0.00 179.25 180.55 1no1 h VAL 13 N 0.32 1.04 -0.21 0.00 2.07 -1.33 -0.62 116.25 117.52 1no1 h VAL 13 Ca -0.06 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1no1 h VAL 13 Cb 1.34 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1no1 h VAL 13 CO 0.14 0.14 -0.14 -1.28 0.02 0.00 0.00 177.57 176.45 1no1 h SER 14 N 0.78 0.34 -0.25 0.57 0.87 -1.39 -0.91 113.55 113.56 1no1 h SER 14 Ca 0.28 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.62 1no1 h SER 14 Cb 0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1no1 h SER 14 CO -0.13 0.51 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.97 1no1 h GLU 15 N 0.33 0.79 -0.02 2.24 5.08 -0.16 -3.12 114.58 119.71 1no1 h GLU 15 Ca 0.06 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 1no1 h GLU 15 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1no1 h GLU 15 CO 0.03 1.03 -0.51 0.74 -1.00 0.00 0.00 179.01 179.30 1no1 h PHE 16 N 0.65 0.07 -2.23 4.33 -1.00 -0.75 -3.37 116.94 114.65 1no1 h PHE 16 Ca 0.06 -0.02 -0.57 0.00 2.81 0.00 0.00 57.97 60.24 1no1 h PHE 16 Cb 0.93 -0.02 -0.42 0.00 3.61 0.00 0.00 35.95 40.06 1no1 h PHE 16 CO 0.05 0.56 -0.74 0.66 -1.61 0.00 0.00 178.31 177.23 1no1 n TYR 17 N -3.94 3.30 -1.56 -0.55 4.02 -0.38 -5.10 117.16 112.95 1no1 n TYR 17 Ca -0.02 -3.98 -0.46 0.00 -0.01 0.00 0.00 57.90 53.44 1no1 n TYR 17 Cb 0.53 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 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 -0.03 1.16 -1.42 -0.72 -0.02 -1.21 -1.67 135.00 131.09 1no1 n PRO 18 Ca 0.30 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1no1 n PRO 18 Cb 0.44 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.43 1.24 0.00 -1.23 0.00 -1.26 -4.74 105.19 100.64 1no1 n GLY 19 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.92 1.68 -3.62 1.61 1.74 -0.67 -4.97 116.66 110.51 1no1 n ARG 20 Ca -0.14 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.61 1no1 n ARG 20 Cb 0.45 -0.29 -0.15 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.25 0.91 -0.36 -1.55 5.36 -1.20 -4.86 117.98 116.03 1no1 s PHE 21 Ca 0.00 -1.27 0.01 0.00 -0.96 0.00 0.00 56.93 54.71 1no1 s PHE 21 Cb 0.00 -1.24 0.14 0.00 -0.34 0.00 0.00 43.02 41.58 1no1 s PHE 21 CO 0.00 -0.85 0.27 -0.65 -1.46 0.00 0.00 175.22 172.53 1no1 s GLN 22 N 1.85 0.57 0.26 10.12 1.11 -1.26 -4.82 119.66 127.49 1no1 s GLN 22 Ca 0.10 -1.15 -0.31 0.00 0.01 0.00 0.00 55.36 54.01 1no1 s GLN 22 Cb -0.17 -1.09 -0.12 0.00 -1.01 0.00 0.00 33.01 30.63 1no1 s GLN 22 CO -0.31 -1.20 1.65 -2.14 0.01 0.00 0.00 175.29 173.30 1no1 s PRO 23 N 1.21 4.12 0.57 2.91 0.02 -1.26 -4.88 135.00 137.70 1no1 s PRO 23 Ca 0.17 2.59 0.36 0.00 0.02 0.00 0.00 61.00 64.15 1no1 s PRO 23 Cb -0.20 -3.04 1.63 0.00 0.02 0.00 0.00 34.50 32.91 1no1 s PRO 23 CO -0.01 -0.68 2.07 0.38 -0.33 0.00 0.00 177.00 178.43 1no1 h ASP 24 N 5.65 0.00 -2.21 2.53 -0.00 -2.05 -3.34 116.42 116.99 1no1 h ASP 24 Ca -0.45 0.00 -0.54 0.00 -0.00 0.00 0.00 57.03 56.03 1no1 h ASP 24 Cb 1.21 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 40.19 1no1 h ASP 24 CO 0.86 0.00 -0.93 -0.67 -0.00 0.00 0.00 179.24 178.50 1no1 n ASP 25 N -3.05 -0.81 -0.10 4.15 -0.08 -1.26 -5.02 116.55 110.37 1no1 n ASP 25 Ca -0.00 -2.43 -0.06 0.00 -1.51 0.00 0.00 54.79 50.79 1no1 n ASP 25 Cb 0.24 -0.30 0.01 0.00 2.34 0.00 0.00 41.12 43.40 1no1 n ASP 25 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1no1 h LEU 26 N 5.55 -0.44 -0.94 -2.67 5.85 -1.99 -0.23 115.31 120.44 1no1 h LEU 26 Ca 0.25 0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.26 1no1 h LEU 26 Cb 0.93 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 1no1 h LEU 26 CO 0.33 -0.16 0.53 0.11 -0.34 0.00 0.00 178.44 178.92 1no1 h LYS 27 N -0.05 0.68 -0.44 1.25 6.56 -1.95 -0.02 116.57 122.60 1no1 h LYS 27 Ca 0.18 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.59 1no1 h LYS 27 Cb 0.32 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 1no1 h LYS 27 CO -0.40 0.45 -0.27 0.78 -2.06 0.00 0.00 179.45 177.96 1no1 h GLY 28 N 0.70 1.04 1.17 3.86 0.00 -1.51 -2.33 103.07 106.00 1no1 h GLY 28 Ca 0.53 -0.97 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1no1 h GLY 28 CO -0.38 0.88 0.21 -0.84 0.00 0.00 0.00 176.54 176.42 1no1 h THR 29 N 0.79 1.25 -0.32 4.70 2.02 -0.51 -1.82 112.91 119.02 1no1 h THR 29 Ca 0.09 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1no1 h THR 29 Cb 0.86 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1no1 h THR 29 CO 0.08 0.33 0.19 0.58 0.37 0.00 0.00 175.52 177.07 1no1 h VAL 30 N 1.00 1.11 -0.73 3.16 2.07 -0.90 -1.19 116.25 120.76 1no1 h VAL 30 Ca 0.22 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1no1 h VAL 30 Cb 0.28 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1no1 h VAL 30 CO -0.01 0.11 0.42 0.11 0.02 0.00 0.00 177.57 178.23 1no1 h LYS 31 N 0.41 1.01 -0.06 1.57 6.56 -1.16 -2.15 116.57 122.74 1no1 h LYS 31 Ca 0.11 -0.10 -0.13 0.00 -1.06 0.00 0.00 60.65 59.47 1no1 h LYS 31 Cb 0.02 -0.20 0.01 0.00 -0.57 0.00 0.00 32.23 31.48 1no1 h LYS 31 CO -0.02 0.73 -0.49 0.00 -2.06 0.00 0.00 179.45 177.62 1no1 h ALA 32 N 1.22 0.13 -0.26 3.86 0.00 -1.15 -3.13 119.26 119.94 1no1 h ALA 32 Ca 0.26 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1no1 h ALA 32 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1no1 h ALA 32 CO -0.05 0.32 0.18 -1.49 0.00 0.00 0.00 179.25 178.21 1no1 h TRP 33 N -0.04 0.30 0.00 0.00 4.06 -1.22 -2.55 115.95 116.50 1no1 h TRP 33 Ca -0.04 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 1no1 h TRP 33 Cb 1.16 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1no1 h TRP 33 CO 0.13 0.19 -0.14 1.25 -3.56 0.00 0.00 178.44 176.31 1no1 h HIS 34 N 0.32 0.00 -0.30 0.49 2.76 -1.33 0.30 115.15 117.40 1no1 h HIS 34 Ca 0.10 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1no1 h HIS 34 Cb 0.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1no1 h HIS 34 CO -0.00 0.14 -0.00 0.00 -1.30 0.00 0.00 177.93 176.76 1no1 h ARG 35 N 0.00 0.45 0.09 5.26 3.08 -1.47 -1.73 114.38 120.06 1no1 h ARG 35 Ca -0.00 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.70 1no1 h ARG 35 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1no1 h ARG 35 CO 0.02 0.48 -1.36 0.28 -1.07 0.00 0.00 179.97 178.32 1no1 h VAL 36 N 0.44 1.02 0.00 2.04 2.07 -1.46 -3.40 116.25 116.96 1no1 h VAL 36 Ca 0.10 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1no1 h VAL 36 Cb 0.29 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1no1 h VAL 36 CO 0.01 0.65 0.00 0.18 0.02 0.00 0.00 177.57 178.43 1no1 n LEU 37 N -4.01 0.11 0.30 2.57 4.77 0.99 -3.56 117.00 118.18 1no1 n LEU 37 Ca -0.26 0.52 0.20 0.00 -0.03 0.00 0.00 56.01 56.44 1no1 n LEU 37 Cb 0.85 -0.49 1.05 0.00 -2.33 0.00 0.00 43.42 42.50 1no1 n LEU 37 CO 0.37 -0.17 1.11 0.00 -1.33 0.00 0.00 177.39 177.36 1no1 h ALA 38 N 2.68 1.00 -0.00 -1.18 0.00 -1.54 -2.13 119.26 118.09 1no1 h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1no1 h ALA 38 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1no1 h ALA 38 CO 0.00 0.00 -0.42 -0.85 0.00 0.00 0.00 179.25 177.98 1no1 n GLU 39 N -2.95 0.21 -3.89 0.00 -0.00 -1.23 -4.92 120.64 107.85 1no1 n GLU 39 Ca -0.02 -0.12 -0.22 0.00 -0.00 0.00 0.00 57.16 56.81 1no1 n GLU 39 Cb 0.10 -1.50 -0.04 0.00 -0.00 0.00 0.00 31.44 30.00 1no1 n GLU 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1no1 s TYR 40 N -2.87 2.90 -0.10 -1.84 1.51 -0.80 -5.14 117.35 111.01 1no1 s TYR 40 Ca 0.15 -0.29 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1no1 s TYR 40 Cb 0.18 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1no1 s TYR 40 CO 0.65 0.25 0.18 -1.83 -1.11 0.00 0.00 175.55 173.69 1no1 s GLU 41 N -3.95 3.51 0.21 -0.62 1.03 -1.26 -4.91 118.70 112.70 1no1 s GLU 41 Ca 0.39 -0.07 -0.09 0.00 0.03 0.00 0.00 54.97 55.24 1no1 s GLU 41 Cb -0.06 -3.19 0.31 0.00 -0.80 0.00 0.00 34.13 30.40 1no1 s GLU 41 CO 0.26 0.76 1.72 1.25 -1.33 0.00 0.00 175.26 177.92 1no1 h LEU 42 N 4.86 0.12 -0.36 1.83 5.85 -1.96 -2.89 115.31 122.76 1no1 h LEU 42 Ca -0.54 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1no1 h LEU 42 Cb 1.23 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1no1 h LEU 42 CO 0.59 0.07 0.24 -0.08 -0.34 0.00 0.00 178.44 178.92 1no1 h GLU 43 N 0.34 0.47 -0.49 1.25 4.81 -2.01 -3.09 114.58 115.85 1no1 h GLU 43 Ca 0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1no1 h GLU 43 Cb 0.46 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1no1 h GLU 43 CO -0.37 0.31 0.26 0.93 -0.73 0.00 0.00 179.01 179.42 1no1 h GLU 44 N 0.48 0.68 -1.55 1.92 5.08 -1.94 -2.65 114.58 116.60 1no1 h GLU 44 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1no1 h GLU 44 Cb -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1no1 h GLU 44 CO -0.04 0.54 0.00 -0.89 -1.00 0.00 0.00 179.01 177.62 1no1 n ILE 45 N -4.66 0.41 0.00 3.13 2.08 -1.15 -2.07 119.36 117.11 1no1 n ILE 45 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1no1 n ILE 45 Cb 0.09 -0.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 1no1 n ILE 45 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1no1 n ASN 47 N 0.78 0.00 -0.04 4.38 4.05 -1.00 -1.36 115.26 122.06 1no1 n ASN 47 Ca 0.00 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.04 1no1 n ASN 47 Cb 0.21 0.00 0.31 0.00 1.23 0.00 0.00 39.78 41.53 1no1 n ASN 47 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1no1 h ASN 48 N 0.00 0.56 -0.58 1.20 2.35 -1.70 -2.52 115.58 114.89 1no1 h ASN 48 Ca 0.00 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1no1 h ASN 48 Cb 0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1no1 h ASN 48 CO 0.00 0.53 0.11 0.25 -1.65 0.00 0.00 177.43 176.67 1no1 h LEU 49 N 0.62 0.90 -0.37 1.61 5.85 -1.52 -1.93 115.31 120.46 1no1 h LEU 49 Ca 0.15 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1no1 h LEU 49 Cb 0.16 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1no1 h LEU 49 CO -0.01 0.92 0.16 0.74 -0.34 0.00 0.00 178.44 179.91 1no1 h THR 50 N 0.85 0.94 -0.24 1.05 2.02 -1.75 -1.83 112.91 113.95 1no1 h THR 50 Ca 0.18 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1no1 h THR 50 Cb 0.39 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1no1 h THR 50 CO 0.01 0.06 -0.16 0.44 0.37 0.00 0.00 175.52 176.23 1no1 h ASP 51 N 0.33 0.40 -0.59 4.18 3.32 -1.22 -2.89 116.42 119.95 1no1 h ASP 51 Ca 0.17 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1no1 h ASP 51 Cb 0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1no1 h ASP 51 CO -0.14 0.59 0.01 0.22 -1.72 0.00 0.00 179.24 178.19 1no1 h TYR 52 N 0.38 1.14 0.00 4.55 3.20 -0.94 -3.06 116.97 122.24 1no1 h TYR 52 Ca 0.07 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1no1 h TYR 52 Cb 0.51 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1no1 h TYR 52 CO 0.01 1.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.53 1no1 h ALA 53 N 1.04 1.00 0.00 1.82 0.00 -1.13 -2.93 119.26 119.06 1no1 h ALA 53 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1no1 h ALA 53 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1no1 h ALA 53 CO 0.03 0.00 -0.22 1.57 0.00 0.00 0.00 179.25 180.63 1no1 h LYS 54 N 0.00 0.00 0.00 0.00 5.09 -1.48 -3.34 116.57 116.84 1no1 h LYS 54 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1no1 h LYS 54 Cb 0.57 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 1no1 h LYS 54 CO 0.00 0.22 0.00 1.33 -2.09 0.00 0.00 179.45 178.91 1no1 n VAL 55 N -3.45 0.52 -4.78 0.07 0.24 -1.12 -5.05 118.33 104.76 1no1 n VAL 55 Ca -0.00 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.34 61.43 1no1 n VAL 55 Cb 0.40 0.79 -0.17 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.52 2.72 0.37 -1.34 0.01 -1.12 -5.00 114.94 110.05 1no1 s ASN 56 Ca 0.00 -0.49 0.19 0.00 -0.71 0.00 0.00 52.86 51.85 1no1 s ASN 56 Cb 0.00 -1.24 0.59 0.00 0.41 0.00 0.00 41.25 41.00 1no1 s ASN 56 CO 0.00 0.08 1.68 0.07 -1.51 0.00 0.00 177.10 177.42 1no1 h LYS 57 N 7.10 0.00 -6.38 -0.60 2.10 -1.92 -3.46 116.57 113.41 1no1 h LYS 57 Ca -0.27 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.72 1no1 h LYS 57 Cb 1.20 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.41 1no1 h LYS 57 CO 0.50 0.37 -0.68 -0.06 -2.00 0.00 0.00 179.45 177.58 1no1 s PHE 58 N -3.45 2.95 0.68 0.07 0.40 -1.26 -5.10 117.98 112.27 1no1 s PHE 58 Ca 0.01 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 1no1 s PHE 58 Cb 0.10 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1no1 s PHE 58 CO 0.69 0.47 1.23 -2.14 0.70 0.00 0.00 175.22 176.17 1no1 s PRO 59 N -2.30 2.39 0.65 0.24 0.02 -1.26 -5.00 135.00 129.73 1no1 s PRO 59 Ca 0.25 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.01 1no1 s PRO 59 Cb -0.12 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 1no1 s PRO 59 CO 0.18 -1.67 1.05 -1.25 -0.33 0.00 0.00 177.00 174.98 1no1 s PRO 60 N -3.67 3.37 0.50 5.54 0.04 -1.26 -5.10 135.00 134.41 1no1 s PRO 60 Ca 0.77 0.70 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1no1 s PRO 60 Cb -0.32 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.21 1no1 s PRO 60 CO 0.42 -0.72 0.68 0.95 0.04 0.00 0.00 177.00 178.36 1no1 s THR 61 N -3.21 2.60 0.36 1.26 -4.23 -1.26 -4.98 115.64 106.19 1no1 s THR 61 Ca 0.56 -0.98 0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1no1 s THR 61 Cb -0.11 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.23 1no1 s THR 61 CO 0.54 0.00 1.87 1.62 -0.54 0.00 0.00 174.62 178.10 1no1 h VAL 62 N 0.40 1.21 0.00 2.29 3.04 -2.00 -1.15 116.25 120.03 1no1 h VAL 62 Ca -0.36 -0.94 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 1no1 h VAL 62 Cb 1.28 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1no1 h VAL 62 CO 0.43 0.29 -0.14 0.77 -1.01 0.00 0.00 177.57 177.91 1no1 h SER 63 N 0.24 0.00 0.59 3.17 4.64 -2.02 -2.64 113.55 117.52 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 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1no1 h SER 63 CO 0.03 0.14 0.00 0.47 -0.87 0.00 0.00 176.83 176.60 1no1 n ASP 64 N -3.71 0.23 -0.63 4.97 8.00 -0.44 -3.31 116.55 121.67 1no1 n ASP 64 Ca -0.02 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.14 1no1 n ASP 64 Cb 0.25 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1no1 n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1no1 n LEU 65 N -1.75 2.28 0.10 0.64 4.77 -0.99 -4.45 117.00 117.59 1no1 n LEU 65 Ca 0.03 -0.89 0.13 0.00 -0.03 0.00 0.00 56.01 55.25 1no1 n LEU 65 Cb 0.19 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.64 1no1 n LEU 65 CO 0.16 0.41 0.78 0.18 -1.33 0.00 0.00 177.39 177.58 1no1 n LEU 66 N 0.57 0.79 0.00 2.23 4.77 -1.21 -4.78 117.00 119.37 1no1 n LEU 66 Ca 0.10 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1no1 n LEU 66 Cb 0.46 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1no1 n LEU 66 CO 0.18 -0.15 0.00 0.29 -1.33 0.00 0.00 177.39 176.38