#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 s TYR 2 N 0.00 2.32 -0.08 1.12 1.51 -1.26 -4.58 117.35 116.38 1pm6 s TYR 2 Ca 0.00 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1pm6 s TYR 2 Cb 0.00 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1pm6 s TYR 2 CO 0.00 0.53 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.76 1pm6 s LEU 3 N -2.78 3.38 0.67 -1.29 2.96 0.63 -4.89 118.68 117.36 1pm6 s LEU 3 Ca 0.22 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 54.02 1pm6 s LEU 3 Cb -0.08 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1pm6 s LEU 3 CO 0.11 0.37 1.22 -0.89 -1.32 0.00 0.00 176.35 175.83 1pm6 s THR 4 N -0.82 2.40 0.18 3.68 2.01 -1.26 -0.14 115.64 121.69 1pm6 s THR 4 Ca 0.12 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 1pm6 s THR 4 Cb -0.11 -2.93 0.13 0.00 0.01 0.00 0.00 72.50 69.60 1pm6 s THR 4 CO 0.02 -0.08 1.63 0.25 -0.69 0.00 0.00 174.62 175.75 1pm6 h LEU 5 N 0.24 -0.69 -0.95 4.42 6.46 -1.78 0.13 115.31 123.13 1pm6 h LEU 5 Ca -0.49 0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1pm6 h LEU 5 Cb 1.30 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 41.56 1pm6 h LEU 5 CO 0.52 -0.23 0.61 -0.61 -0.62 0.00 0.00 178.44 178.11 1pm6 h GLN 6 N -0.10 1.11 -0.41 1.25 -0.00 -1.93 -1.56 115.11 113.48 1pm6 h GLN 6 Ca 0.22 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.69 1pm6 h GLN 6 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1pm6 h GLN 6 CO -0.54 0.74 -0.21 0.93 0.00 0.00 0.00 178.83 179.75 1pm6 h GLU 7 N 1.15 0.81 -0.57 1.69 5.08 -1.72 -0.39 114.58 120.63 1pm6 h GLU 7 Ca 0.39 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1pm6 h GLU 7 Cb 0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1pm6 h GLU 7 CO -0.14 0.95 0.35 2.35 -1.00 0.00 0.00 179.01 181.52 1pm6 h TRP 8 N 0.71 0.66 -0.45 4.33 7.01 -0.68 -1.51 115.95 126.02 1pm6 h TRP 8 Ca 0.10 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1pm6 h TRP 8 Cb 0.73 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 1pm6 h TRP 8 CO 0.04 0.38 0.25 -0.97 -2.79 0.00 0.00 178.44 175.35 1pm6 h ASN 9 N 0.70 0.39 -0.03 2.65 -1.24 -1.25 -3.07 115.58 113.73 1pm6 h ASN 9 Ca 0.23 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.25 1pm6 h ASN 9 Cb 0.00 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1pm6 h ASN 9 CO -0.09 0.28 0.02 0.00 -1.29 0.00 0.00 177.43 176.35 1pm6 h ALA 10 N 1.21 1.97 -0.87 1.57 0.00 -0.97 -2.76 119.26 119.42 1pm6 h ALA 10 Ca 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pm6 h ALA 10 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1pm6 h ALA 10 CO -0.10 -0.03 0.57 0.00 0.00 0.00 0.00 179.25 179.68 1pm6 h ARG 11 N 0.00 1.05 -6.64 0.00 2.47 -1.18 -3.44 114.38 106.64 1pm6 h ARG 11 Ca 0.01 -0.06 -0.52 0.00 -1.26 0.00 0.00 59.98 58.14 1pm6 h ARG 11 Cb 0.05 -0.24 0.05 0.00 -1.65 0.00 0.00 29.97 28.18 1pm6 h ARG 11 CO -0.00 0.70 0.86 -0.65 0.56 0.00 0.00 179.97 181.44 1pm6 s GLN 12 N -5.92 4.22 0.41 0.04 -1.52 -1.04 -4.95 119.66 110.90 1pm6 s GLN 12 Ca -0.12 2.36 0.15 0.00 -1.95 0.00 0.00 55.36 55.81 1pm6 s GLN 12 Cb 0.19 -3.14 1.02 0.00 -0.22 0.00 0.00 33.01 30.86 1pm6 s GLN 12 CO 0.80 -0.58 1.89 -0.09 -0.25 0.00 0.00 175.29 177.06 1pm6 h ARG 13 N 6.39 0.45 -4.71 2.91 1.12 -1.86 -3.24 114.38 115.43 1pm6 h ARG 13 Ca -0.43 -0.03 -0.69 0.00 -1.11 0.00 0.00 59.98 57.72 1pm6 h ARG 13 Cb 1.21 -0.10 -0.19 0.00 -0.01 0.00 0.00 29.97 30.87 1pm6 h ARG 13 CO 0.88 0.30 -0.40 -0.98 -3.11 0.00 0.00 179.97 176.66 1pm6 s ARG 14 N -5.47 3.32 -1.01 0.20 1.70 -1.26 -5.07 118.95 111.37 1pm6 s ARG 14 Ca -0.08 -0.72 -0.22 0.00 -0.47 0.00 0.00 55.73 54.23 1pm6 s ARG 14 Cb 0.22 -3.87 0.06 0.00 -0.57 0.00 0.00 34.95 30.79 1pm6 s ARG 14 CO 0.78 -0.58 1.41 -1.25 -1.08 0.00 0.00 175.30 174.57 1pm6 s PRO 15 N 1.80 3.59 1.10 3.89 0.04 -1.22 -4.98 135.00 139.22 1pm6 s PRO 15 Ca 0.07 -1.20 -0.15 0.00 0.04 0.00 0.00 61.00 59.76 1pm6 s PRO 15 Cb -0.18 -5.30 0.24 0.00 0.04 0.00 0.00 34.50 29.31 1pm6 s PRO 15 CO 0.11 -2.15 1.08 1.03 0.04 0.00 0.00 177.00 177.11 1pm6 s ARG 16 N 4.68 -0.42 0.33 4.56 0.52 -1.26 -5.01 118.95 122.34 1pm6 s ARG 16 Ca 0.44 0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 55.69 1pm6 s ARG 16 Cb -0.01 -1.65 -0.11 0.00 0.52 0.00 0.00 34.95 33.70 1pm6 s ARG 16 CO -0.10 -3.26 1.55 0.45 0.02 0.00 0.00 175.30 173.96 1pm6 s SER 17 N -3.48 6.36 0.56 0.23 0.15 -1.26 -4.94 113.70 111.32 1pm6 s SER 17 Ca 0.68 2.99 0.26 0.00 0.70 0.00 0.00 55.95 60.58 1pm6 s SER 17 Cb -0.16 -2.65 1.52 0.00 -1.71 0.00 0.00 66.02 63.01 1pm6 s SER 17 CO 0.58 -0.90 2.07 -0.07 1.20 0.00 0.00 173.24 176.12 1pm6 h LEU 18 N 4.09 0.00 -0.92 3.45 4.07 -2.00 -0.02 115.31 123.98 1pm6 h LEU 18 Ca -0.49 0.00 0.24 0.00 0.08 0.00 0.00 57.88 57.72 1pm6 h LEU 18 Cb 1.23 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.84 1pm6 h LEU 18 CO 0.73 0.00 0.42 -0.33 -1.08 0.00 0.00 178.44 178.18 1pm6 h GLU 19 N 0.00 0.37 0.10 1.13 4.39 -1.98 -0.54 114.58 118.04 1pm6 h GLU 19 Ca 0.13 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1pm6 h GLU 19 Cb 0.61 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1pm6 h GLU 19 CO -0.00 0.24 -0.05 1.79 -1.16 0.00 0.00 179.01 179.83 1pm6 h THR 20 N 0.38 0.91 -0.65 1.13 1.35 -1.36 -0.44 112.91 114.22 1pm6 h THR 20 Ca 0.60 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 66.44 1pm6 h THR 20 Cb 1.18 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1pm6 h THR 20 CO -0.56 0.00 0.39 0.58 -0.25 0.00 0.00 175.52 175.68 1pm6 h VAL 21 N -0.14 1.19 -0.73 6.82 2.07 -1.62 -1.44 116.25 122.41 1pm6 h VAL 21 Ca -0.01 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1pm6 h VAL 21 Cb 0.11 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1pm6 h VAL 21 CO 0.02 0.20 0.37 -0.09 0.02 0.00 0.00 177.57 178.09 1pm6 h ARG 22 N 0.89 0.60 -0.73 1.57 1.12 -1.06 -0.20 114.38 116.57 1pm6 h ARG 22 Ca 0.23 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 1pm6 h ARG 22 Cb -0.01 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 29.77 1pm6 h ARG 22 CO -0.04 0.40 0.41 -0.09 -3.11 0.00 0.00 179.97 177.53 1pm6 h ARG 23 N 0.62 1.01 -0.63 0.20 1.12 -0.86 -0.50 114.38 115.35 1pm6 h ARG 23 Ca 0.36 -0.11 -0.07 0.00 -1.11 0.00 0.00 59.98 59.05 1pm6 h ARG 23 Cb 0.38 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.11 1pm6 h ARG 23 CO -0.27 0.74 0.12 -1.49 -3.11 0.00 0.00 179.97 175.96 1pm6 h TRP 24 N 1.02 1.06 -0.01 2.20 6.55 -0.91 -1.17 115.95 124.69 1pm6 h TRP 24 Ca 0.26 -0.13 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 1pm6 h TRP 24 Cb 0.02 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 28.02 1pm6 h TRP 24 CO 0.01 0.89 0.00 0.28 -1.05 0.00 0.00 178.44 178.57 1pm6 h VAL 25 N 0.95 1.05 -0.14 1.49 2.07 -0.92 -2.78 116.25 117.97 1pm6 h VAL 25 Ca 0.20 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1pm6 h VAL 25 Cb 0.39 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1pm6 h VAL 25 CO 0.01 0.04 0.11 0.03 0.02 0.00 0.00 177.57 177.78 1pm6 h ARG 26 N -0.05 0.00 0.00 1.57 2.47 -1.09 -0.19 114.38 117.09 1pm6 h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pm6 h ARG 26 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1pm6 h ARG 26 CO -0.00 0.00 0.00 -1.91 0.56 0.00 0.00 179.97 178.62 1pm6 n GLU 27 N -4.25 0.08 -3.34 0.04 4.07 -0.44 -4.99 120.64 111.80 1pm6 n GLU 27 Ca 0.00 0.14 -0.24 0.00 -0.06 0.00 0.00 57.16 57.01 1pm6 n GLU 27 Cb 0.24 -1.50 0.04 0.00 -0.06 0.00 0.00 31.44 30.16 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1pm6 n SER 28 N -1.44 -5.75 0.01 4.31 2.88 -0.08 -4.97 113.62 108.58 1pm6 n SER 28 Ca 0.06 -0.43 0.11 0.00 -1.33 0.00 0.00 58.87 57.28 1pm6 n SER 28 Cb 0.21 -4.61 -0.13 0.00 -0.75 0.00 0.00 64.21 58.94 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pm6 n ARG 29 N -4.35 0.61 -2.72 -1.46 1.74 -1.14 -4.86 116.66 104.47 1pm6 n ARG 29 Ca -0.05 -0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1pm6 n ARG 29 Cb 0.58 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pm6 s ILE 30 N -3.46 4.14 -0.06 0.55 1.01 -1.26 -0.78 121.20 121.34 1pm6 s ILE 30 Ca -0.06 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.93 1pm6 s ILE 30 Cb 0.13 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1pm6 s ILE 30 CO 0.88 -1.41 -0.18 0.12 0.00 0.00 0.00 174.94 174.35 1pm6 s PHE 31 N 4.60 1.89 0.59 3.97 2.19 -0.38 -3.73 117.98 127.13 1pm6 s PHE 31 Ca 0.32 -0.66 -0.18 0.00 0.33 0.00 0.00 56.93 56.75 1pm6 s PHE 31 Cb -0.11 -1.30 -0.03 0.00 -1.31 0.00 0.00 43.02 40.27 1pm6 s PHE 31 CO 0.17 -0.27 1.13 -1.25 1.83 0.00 0.00 175.22 176.84 1pm6 s PRO 32 N 0.29 3.09 0.54 10.12 0.04 -1.26 -1.86 135.00 145.96 1pm6 s PRO 32 Ca -0.11 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 1pm6 s PRO 32 Cb -0.15 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1pm6 s PRO 32 CO 0.04 -1.05 1.15 -1.25 0.04 0.00 0.00 177.00 175.93 1pm6 s PRO 33 N -3.60 3.36 0.58 0.56 0.04 -1.24 -4.66 135.00 130.03 1pm6 s PRO 33 Ca 0.71 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 1pm6 s PRO 33 Cb -0.23 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1pm6 s PRO 33 CO 0.33 -0.86 1.04 -1.25 0.04 0.00 0.00 177.00 176.30 1pm6 s PRO 34 N -3.22 3.47 -0.15 0.56 0.04 -1.26 -4.96 135.00 129.48 1pm6 s PRO 34 Ca 0.72 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1pm6 s PRO 34 Cb -0.25 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1pm6 s PRO 34 CO 0.29 -0.68 0.66 0.08 0.04 0.00 0.00 177.00 177.39 1pm6 s VAL 35 N -2.55 5.02 -0.24 -0.36 1.01 -0.45 -4.84 120.40 117.99 1pm6 s VAL 35 Ca 0.62 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 1pm6 s VAL 35 Cb -0.14 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1pm6 s VAL 35 CO 0.37 0.15 1.04 -0.75 0.00 0.00 0.00 175.10 175.91 1pm6 s LYS 36 N 1.55 4.23 -0.73 2.72 2.20 -1.26 -0.58 119.74 127.86 1pm6 s LYS 36 Ca 0.32 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 1pm6 s LYS 36 Cb -0.16 -3.66 0.18 0.00 -1.51 0.00 0.00 37.83 32.68 1pm6 s LYS 36 CO 0.12 -0.67 0.55 -0.51 -0.36 0.00 0.00 175.35 174.49 1pm6 s ASP 37 N 1.28 5.30 0.00 1.43 1.11 -0.27 -4.94 116.67 120.57 1pm6 s ASP 37 Ca 0.44 -3.42 0.00 0.00 0.18 0.00 0.00 52.55 49.75 1pm6 s ASP 37 Cb -0.15 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.05 1pm6 s ASP 37 CO 0.08 -0.22 0.00 0.61 1.18 0.00 0.00 175.17 176.81 1pm6 n GLY 38 N 2.68 1.65 1.25 0.21 0.00 -1.26 -3.27 105.19 106.44 1pm6 n GLY 38 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pm6 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm6 n ARG 39 N 0.00 0.00 -2.51 1.61 1.74 -1.26 -5.10 116.66 111.14 1pm6 n ARG 39 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1pm6 n ARG 39 Cb 0.00 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.46 31.05 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1pm6 s GLU 40 N -1.95 4.53 -0.02 5.56 1.03 -1.20 -5.06 118.70 121.59 1pm6 s GLU 40 Ca 0.00 1.71 -0.18 0.00 0.03 0.00 0.00 54.97 56.53 1pm6 s GLU 40 Cb 0.00 -3.03 -0.05 0.00 -0.80 0.00 0.00 34.13 30.25 1pm6 s GLU 40 CO 0.00 0.14 0.52 0.71 -1.33 0.00 0.00 175.26 175.30 1pm6 s TYR 41 N -1.29 3.67 -0.33 4.83 2.02 -1.26 -1.11 117.35 123.88 1pm6 s TYR 41 Ca 0.48 1.09 -0.19 0.00 -0.37 0.00 0.00 57.07 58.08 1pm6 s TYR 41 Cb -0.29 -2.50 -0.01 0.00 -0.40 0.00 0.00 41.96 38.76 1pm6 s TYR 41 CO 0.37 0.41 0.55 -0.51 -1.57 0.00 0.00 175.55 174.81 1pm6 s LEU 42 N -0.35 4.24 -0.22 -1.29 1.43 0.25 -2.02 118.68 120.73 1pm6 s LEU 42 Ca 0.28 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1pm6 s LEU 42 Cb -0.17 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1pm6 s LEU 42 CO 0.15 -0.47 0.11 -0.36 0.23 0.00 0.00 176.35 176.01 1pm6 s PHE 43 N 2.47 3.26 0.57 0.29 0.40 0.80 -1.34 117.98 124.44 1pm6 s PHE 43 Ca 0.21 0.08 -0.18 0.00 -0.60 0.00 0.00 56.93 56.44 1pm6 s PHE 43 Cb -0.15 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 1pm6 s PHE 43 CO 0.13 0.05 1.09 -1.58 0.70 0.00 0.00 175.22 175.61 1pm6 s HIS 44 N 0.85 2.78 0.51 0.36 2.46 -1.26 -0.27 115.29 120.73 1pm6 s HIS 44 Ca 0.06 1.55 0.23 0.00 0.47 0.00 0.00 55.06 57.36 1pm6 s HIS 44 Cb -0.13 -3.17 1.32 0.00 -0.13 0.00 0.00 32.58 30.47 1pm6 s HIS 44 CO 0.03 -1.37 2.00 0.93 -2.47 0.00 0.00 174.74 173.85 1pm6 h GLU 45 N 0.87 0.08 0.00 2.88 4.39 -1.95 -0.89 114.58 119.96 1pm6 h GLU 45 Ca -0.49 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1pm6 h GLU 45 Cb 1.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1pm6 h GLU 45 CO 0.57 0.05 0.00 1.03 -1.16 0.00 0.00 179.01 179.50 1pm6 h SER 46 N 0.08 0.00 -2.74 1.42 0.87 -1.95 -3.45 113.55 107.78 1pm6 h SER 46 Ca 0.25 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.26 1pm6 h SER 46 Cb 0.88 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 1pm6 h SER 46 CO -0.02 0.00 1.18 0.00 -0.53 0.00 0.00 176.83 177.46 1pm6 s ALA 47 N -3.36 2.76 0.06 6.23 0.00 -0.34 -4.38 121.76 122.74 1pm6 s ALA 47 Ca 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1pm6 s ALA 47 Cb 0.09 -4.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1pm6 s ALA 47 CO 0.44 -2.91 -0.23 0.14 0.00 0.00 0.00 175.76 173.20 1pm6 s VAL 48 N 6.64 1.88 -0.51 0.00 -7.23 -0.77 -4.75 120.40 115.65 1pm6 s VAL 48 Ca 0.63 -1.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 1pm6 s VAL 48 Cb -0.14 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1pm6 s VAL 48 CO 0.28 0.20 1.53 -1.59 -0.31 0.00 0.00 175.10 175.20 1pm6 s LYS 49 N -1.42 3.26 0.04 4.82 -2.85 -1.26 -1.24 119.74 121.09 1pm6 s LYS 49 Ca 0.09 0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 55.45 1pm6 s LYS 49 Cb -0.09 -4.15 -0.06 0.00 -2.06 0.00 0.00 37.83 31.46 1pm6 s LYS 49 CO 0.03 -1.97 1.38 0.54 0.10 0.00 0.00 175.35 175.43 1pm6 s VAL 50 N 6.47 3.63 -1.34 1.79 0.11 0.04 -4.94 120.40 126.17 1pm6 s VAL 50 Ca 0.60 1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 60.65 1pm6 s VAL 50 Cb -0.13 -3.70 0.12 0.00 -1.53 0.00 0.00 36.38 31.14 1pm6 s VAL 50 CO 0.27 0.03 2.24 0.47 -3.33 0.00 0.00 175.10 174.78 1pm6 n ASP 51 N 4.86 6.80 -3.82 3.54 8.00 -1.26 -4.84 116.55 129.83 1pm6 n ASP 51 Ca 0.12 -3.07 -0.32 0.00 0.71 0.00 0.00 54.79 52.24 1pm6 n ASP 51 Cb 0.44 -1.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.02 1pm6 n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1pm6 n LEU 52 N 2.90 4.02 -3.58 0.64 0.00 -1.26 -5.00 117.00 114.71 1pm6 n LEU 52 Ca 0.55 -5.27 -0.12 0.00 0.00 0.00 0.00 56.01 51.17 1pm6 n LEU 52 Cb 0.30 -0.89 -0.06 0.00 0.00 0.00 0.00 43.42 42.77 1pm6 n LEU 52 CO 0.76 1.79 0.69 0.54 0.00 0.00 0.00 177.39 181.17 1pm6 s ASN 53 N -1.44 -0.46 0.16 1.96 2.20 -1.26 -5.17 114.94 110.93 1pm6 s ASN 53 Ca 0.31 0.58 -0.31 0.00 -0.94 0.00 0.00 52.86 52.51 1pm6 s ASN 53 Cb 0.02 0.49 -0.09 0.00 -2.00 0.00 0.00 41.25 39.67 1pm6 s ASN 53 CO -0.07 -0.37 1.38 0.00 -2.94 0.00 0.00 177.10 175.10 1pm6 s ARG 54 N -0.86 4.33 1.05 3.55 1.04 -1.26 -5.04 118.95 121.76 1pm6 s ARG 54 Ca -0.03 2.11 -0.14 0.00 -1.04 0.00 0.00 55.73 56.64 1pm6 s ARG 54 Cb -0.01 -3.21 0.22 0.00 -2.04 0.00 0.00 34.95 29.91 1pm6 s ARG 54 CO 0.02 -0.38 1.09 -1.25 -0.04 0.00 0.00 175.30 174.74 1pm6 s PRO 55 N 0.53 -0.01 0.34 3.89 0.04 -1.26 -5.00 135.00 133.53 1pm6 s PRO 55 Ca 0.62 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1pm6 s PRO 55 Cb -0.38 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1pm6 s PRO 55 CO 0.34 -3.00 1.47 0.14 0.04 0.00 0.00 177.00 175.99 1pm6 s VAL 56 N -2.96 2.25 -0.79 -0.36 -7.23 -1.26 -4.93 120.40 105.11 1pm6 s VAL 56 Ca 0.67 0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.82 1pm6 s VAL 56 Cb -0.17 -3.15 0.01 0.00 0.56 0.00 0.00 36.38 33.63 1pm6 s VAL 56 CO 0.57 0.05 1.56 0.42 -0.31 0.00 0.00 175.10 177.40 1pm6 s THR 57 N -0.81 3.62 0.74 5.32 -4.23 -1.26 -4.99 115.64 114.04 1pm6 s THR 57 Ca 0.55 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 1pm6 s THR 57 Cb -0.45 -4.56 0.04 0.00 1.34 0.00 0.00 72.50 68.88 1pm6 s THR 57 CO 0.56 -1.49 1.11 -0.83 -0.54 0.00 0.00 174.62 173.43 1pm6 s GLY 58 N 5.77 1.86 -0.32 3.99 0.00 -1.26 -4.97 107.32 112.39 1pm6 s GLY 58 Ca 0.51 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.35 1pm6 s GLY 58 CO 0.09 0.76 1.45 -0.56 0.00 0.00 0.00 173.10 174.84 1pm6 s SER 59 N -3.02 6.43 -0.16 1.64 0.01 -1.26 -4.99 113.70 112.34 1pm6 s SER 59 Ca 0.64 1.17 -0.29 0.00 1.31 0.00 0.00 55.95 58.78 1pm6 s SER 59 Cb -0.19 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1pm6 s SER 59 CO 0.51 -1.29 1.20 -0.22 0.41 0.00 0.00 173.24 173.85 1pm6 s LEU 60 N 5.12 4.18 0.04 2.44 2.96 -1.26 -5.03 118.68 127.13 1pm6 s LEU 60 Ca 0.63 1.64 -0.26 0.00 -0.22 0.00 0.00 54.13 55.93 1pm6 s LEU 60 Cb -0.18 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1pm6 s LEU 60 CO 0.29 -0.71 0.79 -0.76 -1.32 0.00 0.00 176.35 174.64 1pm6 s LEU 61 N 3.19 4.44 0.47 -0.68 2.01 -1.26 -5.07 118.68 121.78 1pm6 s LEU 61 Ca 0.53 1.47 -0.22 0.00 0.01 0.00 0.00 54.13 55.91 1pm6 s LEU 61 Cb -0.21 -3.27 -0.07 0.00 0.01 0.00 0.00 46.19 42.65 1pm6 s LEU 61 CO 0.14 -0.02 1.15 -1.59 1.01 0.00 0.00 176.35 177.04 1pm6 s LYS 62 N 0.08 3.72 0.21 1.70 0.00 -1.26 -5.09 119.74 119.11 1pm6 s LYS 62 Ca 0.40 1.71 0.09 0.00 0.00 0.00 0.00 55.97 58.17 1pm6 s LYS 62 Cb -0.20 -2.34 -0.04 0.00 0.00 0.00 0.00 37.83 35.25 1pm6 s LYS 62 CO 0.23 -0.57 -0.06 1.03 0.00 0.00 0.00 175.35 175.99 1pm6 s ARG 63 N -2.80 2.17 -0.11 1.78 0.52 -1.26 -5.12 118.95 114.13 1pm6 s ARG 63 Ca 0.65 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 1pm6 s ARG 63 Cb -0.27 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1pm6 s ARG 63 CO 0.32 0.41 1.20 0.42 0.02 0.00 0.00 175.30 177.68 1pm6 s ILE 64 N -1.91 4.32 -0.38 1.52 1.01 -1.26 -5.03 121.20 119.47 1pm6 s ILE 64 Ca 0.27 1.62 -0.16 0.00 0.00 0.00 0.00 60.65 62.38 1pm6 s ILE 64 Cb -0.08 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1pm6 s ILE 64 CO 0.17 -0.06 0.38 -0.60 0.00 0.00 0.00 174.94 174.83 1pm6 s ARG 65 N 2.73 3.35 0.28 2.79 3.52 -1.26 -5.09 118.95 125.27 1pm6 s ARG 65 Ca 0.54 -0.60 -0.26 0.00 -0.13 0.00 0.00 55.73 55.29 1pm6 s ARG 65 Cb -0.23 -3.88 -0.09 0.00 -1.56 0.00 0.00 34.95 29.19 1pm6 s ARG 65 CO 0.18 -0.66 0.90 -0.80 -0.81 0.00 0.00 175.30 174.11 1pm6 s ASN 66 N 1.76 7.38 0.61 -2.12 -0.87 -1.26 -5.10 114.94 115.33 1pm6 s ASN 66 Ca 0.11 1.79 0.03 0.00 -1.57 0.00 0.00 52.86 53.23 1pm6 s ASN 66 Cb -0.17 -2.56 0.08 0.00 -0.02 0.00 0.00 41.25 38.59 1pm6 s ASN 66 CO 0.12 0.02 0.85 -0.83 -2.57 0.00 0.00 177.10 174.69 1pm6 s GLY 67 N -1.48 1.79 0.12 0.66 0.00 -1.26 -5.16 107.32 101.98 1pm6 s GLY 67 Ca 0.46 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.38 1pm6 s GLY 67 CO 0.25 -1.31 0.15 -1.59 0.00 0.00 0.00 173.10 170.60 1pm6 s LYS 68 N -4.85 0.92 -0.23 2.90 0.00 -1.26 -5.17 119.74 112.05 1pm6 s LYS 68 Ca 0.62 -1.19 -0.06 0.00 0.00 0.00 0.00 55.97 55.33 1pm6 s LYS 68 Cb -0.07 0.31 0.11 0.00 0.00 0.00 0.00 37.83 38.18 1pm6 s LYS 68 CO 0.40 -0.29 0.48 0.21 0.00 0.00 0.00 175.35 176.15 1pm6 s LYS 69 N -3.95 0.40 0.52 1.78 2.36 -1.26 -5.18 119.74 114.41 1pm6 s LYS 69 Ca 0.14 1.05 -0.08 0.00 -2.55 0.00 0.00 55.97 54.52 1pm6 s LYS 69 Cb 0.06 0.34 -0.04 0.00 -1.05 0.00 0.00 37.83 37.13 1pm6 s LYS 69 CO -0.04 -0.33 0.87 0.00 1.55 0.00 0.00 175.35 177.40 1pm6 s ALA 70 N 2.68 3.28 0.03 3.13 0.00 -1.26 -5.07 121.76 124.56 1pm6 s ALA 70 Ca 0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1pm6 s ALA 70 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1pm6 s ALA 70 CO -0.15 -0.41 1.07 0.21 0.00 0.00 0.00 175.76 176.47 1pm6 s LYS 71 N -4.73 4.52 0.00 0.00 2.36 -1.26 -5.39 119.74 115.24 1pm6 s LYS 71 Ca 0.51 1.56 0.32 0.00 -2.55 0.00 0.00 55.97 55.81 1pm6 s LYS 71 Cb -0.10 -3.41 1.90 0.00 -1.05 0.00 0.00 37.83 35.17 1pm6 s LYS 71 CO 0.45 -0.11 2.22 -1.13 1.55 0.00 0.00 175.35 178.33