#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 n TYR 2 N 0.00 -0.82 -3.59 1.12 4.01 -1.25 -4.95 117.16 111.69 1pm6 n TYR 2 Ca 0.00 0.33 -0.28 0.00 -0.16 0.00 0.00 57.90 57.78 1pm6 n TYR 2 Cb 0.00 -2.12 -0.03 0.00 -0.31 0.00 0.00 39.34 36.88 1pm6 n TYR 2 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pm6 s LEU 3 N -1.56 4.18 0.67 7.72 2.34 0.24 -4.78 118.68 127.50 1pm6 s LEU 3 Ca 0.05 0.52 -0.17 0.00 0.06 0.00 0.00 54.13 54.59 1pm6 s LEU 3 Cb -0.01 -3.29 0.01 0.00 -0.56 0.00 0.00 46.19 42.33 1pm6 s LEU 3 CO 0.18 -0.08 1.24 -0.89 -1.06 0.00 0.00 176.35 175.74 1pm6 s THR 4 N -1.91 2.26 0.19 5.48 2.01 -1.26 -1.02 115.64 121.39 1pm6 s THR 4 Ca 0.40 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 1pm6 s THR 4 Cb -0.11 -2.91 0.14 0.00 0.01 0.00 0.00 72.50 69.63 1pm6 s THR 4 CO 0.29 -0.05 1.68 0.25 -0.69 0.00 0.00 174.62 176.09 1pm6 h LEU 5 N 0.24 -0.26 -1.05 4.42 6.46 -1.83 0.25 115.31 123.53 1pm6 h LEU 5 Ca -0.49 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1pm6 h LEU 5 Cb 1.31 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 1pm6 h LEU 5 CO 0.52 -0.09 0.29 -0.61 -0.62 0.00 0.00 178.44 177.93 1pm6 h GLN 6 N 0.09 0.96 -0.52 1.25 4.15 -1.93 -0.47 115.11 118.64 1pm6 h GLN 6 Ca 0.25 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 1pm6 h GLN 6 Cb 0.38 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1pm6 h GLN 6 CO -0.44 0.77 -0.04 0.93 -1.93 0.00 0.00 178.83 178.12 1pm6 h GLU 7 N 0.95 0.91 0.16 1.69 3.07 -1.77 -0.25 114.58 119.34 1pm6 h GLU 7 Ca 0.23 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1pm6 h GLU 7 Cb 0.15 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1pm6 h GLU 7 CO -0.02 0.93 -0.27 2.35 -1.40 0.00 0.00 179.01 180.59 1pm6 h TRP 8 N 0.83 -0.74 -0.78 4.33 7.01 -0.37 -1.96 115.95 124.28 1pm6 h TRP 8 Ca 0.15 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1pm6 h TRP 8 Cb 0.55 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.86 1pm6 h TRP 8 CO 0.03 -0.38 0.48 -0.97 -2.79 0.00 0.00 178.44 174.81 1pm6 h ASN 9 N -0.51 0.77 -0.95 2.65 -1.24 -1.08 -2.38 115.58 112.83 1pm6 h ASN 9 Ca 0.02 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.10 1pm6 h ASN 9 Cb 0.52 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 1pm6 h ASN 9 CO -0.13 0.51 0.61 0.00 -1.29 0.00 0.00 177.43 177.13 1pm6 h ALA 10 N 1.36 1.31 0.00 1.57 0.00 -1.03 -2.69 119.26 119.78 1pm6 h ALA 10 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pm6 h ALA 10 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pm6 h ALA 10 CO -0.15 0.40 0.00 0.07 0.00 0.00 0.00 179.25 179.58 1pm6 h ARG 11 N 1.12 0.00 -7.16 0.00 0.11 -1.18 -3.46 114.38 103.81 1pm6 h ARG 11 Ca 0.41 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.97 1pm6 h ARG 11 Cb 0.14 0.00 0.12 0.00 1.11 0.00 0.00 29.97 31.35 1pm6 h ARG 11 CO -0.17 0.00 0.40 -0.65 0.10 0.00 0.00 179.97 179.66 1pm6 s GLN 12 N -3.41 2.63 0.42 0.08 -1.52 -0.91 -4.97 119.66 111.98 1pm6 s GLN 12 Ca 0.04 1.62 0.17 0.00 -1.95 0.00 0.00 55.36 55.25 1pm6 s GLN 12 Cb 0.09 -1.91 1.08 0.00 -0.22 0.00 0.00 33.01 32.05 1pm6 s GLN 12 CO 0.49 -1.43 1.88 -0.09 -0.25 0.00 0.00 175.29 175.89 1pm6 h ARG 13 N 0.16 0.39 -3.58 2.91 2.43 -1.91 -3.34 114.38 111.44 1pm6 h ARG 13 Ca -0.48 -0.02 -0.51 0.00 -0.81 0.00 0.00 59.98 58.15 1pm6 h ARG 13 Cb 1.27 -0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 30.34 1pm6 h ARG 13 CO 0.53 0.26 -0.76 0.50 -1.51 0.00 0.00 179.97 178.98 1pm6 s ARG 14 N -5.41 0.68 -0.47 0.20 6.06 -1.26 -5.13 118.95 113.62 1pm6 s ARG 14 Ca -0.08 -0.38 -0.28 0.00 -2.50 0.00 0.00 55.73 52.49 1pm6 s ARG 14 Cb 0.22 -2.01 -0.01 0.00 0.06 0.00 0.00 34.95 33.21 1pm6 s ARG 14 CO 0.78 -0.60 1.67 -1.25 -2.50 0.00 0.00 175.30 173.39 1pm6 s PRO 15 N 1.86 3.17 0.00 5.12 0.04 -1.26 -4.99 135.00 138.94 1pm6 s PRO 15 Ca -0.00 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1pm6 s PRO 15 Cb -0.17 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1pm6 s PRO 15 CO -0.08 -2.07 0.00 2.89 0.04 0.00 0.00 177.00 177.79 1pm6 n ARG 16 N 8.63 1.83 -2.02 4.56 0.00 -1.26 -5.05 116.66 123.35 1pm6 n ARG 16 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.62 1pm6 n ARG 16 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.92 1pm6 n ARG 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1pm6 s SER 17 N -0.83 6.67 0.47 2.89 1.04 -1.26 -4.95 113.70 117.73 1pm6 s SER 17 Ca 0.00 2.51 0.16 0.00 0.48 0.00 0.00 55.95 59.10 1pm6 s SER 17 Cb 0.00 -2.59 1.13 0.00 0.10 0.00 0.00 66.02 64.67 1pm6 s SER 17 CO 0.00 -0.77 2.01 -0.07 0.98 0.00 0.00 173.24 175.39 1pm6 h LEU 18 N 6.92 0.24 -0.97 2.42 3.38 -2.01 -0.67 115.31 124.62 1pm6 h LEU 18 Ca -0.42 0.00 0.30 0.00 0.09 0.00 0.00 57.88 57.85 1pm6 h LEU 18 Cb 1.21 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1pm6 h LEU 18 CO 0.90 0.15 0.48 1.05 0.09 0.00 0.00 178.44 181.11 1pm6 h GLU 19 N 0.27 0.28 -0.38 1.13 4.11 -1.99 -1.68 114.58 116.32 1pm6 h GLU 19 Ca 0.23 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.59 1pm6 h GLU 19 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1pm6 h GLU 19 CO -0.05 0.18 0.05 1.15 0.07 0.00 0.00 179.01 180.41 1pm6 h THR 20 N 0.29 1.24 -0.53 -1.06 2.02 -1.50 -0.84 112.91 112.54 1pm6 h THR 20 Ca 0.69 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 67.03 1pm6 h THR 20 Cb 1.54 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1pm6 h THR 20 CO -0.63 0.30 0.26 0.58 0.37 0.00 0.00 175.52 176.40 1pm6 h VAL 21 N 0.47 0.94 -0.56 3.16 2.07 -1.60 -0.89 116.25 119.84 1pm6 h VAL 21 Ca 0.11 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1pm6 h VAL 21 Cb 0.39 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1pm6 h VAL 21 CO 0.01 0.09 0.25 -0.09 0.02 0.00 0.00 177.57 177.85 1pm6 h ARG 22 N 0.50 0.46 -0.72 1.57 9.65 -1.22 -1.47 114.38 123.15 1pm6 h ARG 22 Ca 0.24 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1pm6 h ARG 22 Cb 0.16 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1pm6 h ARG 22 CO -0.17 0.30 0.29 0.00 2.80 0.00 0.00 179.97 183.19 1pm6 h ARG 23 N 0.47 1.06 -0.83 0.20 3.08 -0.97 -0.63 114.38 116.76 1pm6 h ARG 23 Ca 0.26 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1pm6 h ARG 23 Cb 0.24 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1pm6 h ARG 23 CO -0.22 0.85 0.51 -1.49 -1.07 0.00 0.00 179.97 178.55 1pm6 h TRP 24 N 1.04 0.94 -0.19 3.04 6.55 -1.03 -0.49 115.95 125.80 1pm6 h TRP 24 Ca 0.24 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.09 1pm6 h TRP 24 Cb 0.19 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.18 1pm6 h TRP 24 CO 0.02 0.46 0.06 0.28 -1.05 0.00 0.00 178.44 178.21 1pm6 h VAL 25 N 0.92 1.19 -0.74 1.49 2.07 -1.08 -0.33 116.25 119.76 1pm6 h VAL 25 Ca 0.37 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1pm6 h VAL 25 Cb 0.20 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1pm6 h VAL 25 CO -0.18 0.19 0.37 0.03 0.02 0.00 0.00 177.57 177.99 1pm6 h ARG 26 N 0.13 0.58 -0.17 1.57 3.08 -1.03 -2.49 114.38 116.05 1pm6 h ARG 26 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pm6 h ARG 26 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1pm6 h ARG 26 CO -0.00 0.38 0.00 0.39 -1.07 0.00 0.00 179.97 179.67 1pm6 n GLU 27 N -4.87 0.81 -3.92 0.04 -0.58 -0.20 -4.94 120.64 106.98 1pm6 n GLU 27 Ca 0.12 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.57 1pm6 n GLU 27 Cb 0.31 -1.08 0.01 0.00 -0.57 0.00 0.00 31.44 30.11 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1pm6 n SER 28 N -0.38 -3.40 -0.09 1.62 7.64 -0.94 -4.97 113.62 113.11 1pm6 n SER 28 Ca 0.00 -0.85 -0.22 0.00 1.01 0.00 0.00 58.87 58.81 1pm6 n SER 28 Cb 0.04 -3.66 -0.12 0.00 -1.01 0.00 0.00 64.21 59.46 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pm6 n ARG 29 N -4.53 0.59 -2.54 1.43 5.12 -0.15 -4.84 116.66 111.75 1pm6 n ARG 29 Ca -0.06 0.52 -0.41 0.00 -1.93 0.00 0.00 57.85 55.97 1pm6 n ARG 29 Cb 0.57 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pm6 s ILE 30 N -2.40 3.77 -0.09 0.55 1.01 -1.25 -0.78 121.20 122.00 1pm6 s ILE 30 Ca -0.28 0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1pm6 s ILE 30 Cb 0.06 -4.84 -0.01 0.00 0.01 0.00 0.00 42.46 37.68 1pm6 s ILE 30 CO 0.61 -1.71 -0.19 0.12 0.00 0.00 0.00 174.94 173.77 1pm6 s PHE 31 N 5.70 2.64 0.61 3.97 5.36 -0.59 -3.51 117.98 132.15 1pm6 s PHE 31 Ca 0.38 -0.68 -0.17 0.00 -0.96 0.00 0.00 56.93 55.50 1pm6 s PHE 31 Cb -0.08 -1.71 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1pm6 s PHE 31 CO 0.17 -0.20 1.10 -1.25 -1.46 0.00 0.00 175.22 173.59 1pm6 s PRO 32 N 0.05 3.10 0.48 10.12 0.04 -1.26 -2.08 135.00 145.44 1pm6 s PRO 32 Ca -0.07 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.16 1pm6 s PRO 32 Cb -0.15 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1pm6 s PRO 32 CO 0.05 -1.02 1.22 -1.25 0.04 0.00 0.00 177.00 176.05 1pm6 s PRO 33 N -3.81 3.62 0.52 0.56 0.04 -1.23 -4.72 135.00 129.98 1pm6 s PRO 33 Ca 0.68 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 1pm6 s PRO 33 Cb -0.20 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 1pm6 s PRO 33 CO 0.35 -0.71 1.02 -1.25 0.04 0.00 0.00 177.00 176.45 1pm6 s PRO 34 N -2.71 3.73 -0.33 0.56 0.04 -1.26 -4.94 135.00 130.10 1pm6 s PRO 34 Ca 0.65 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1pm6 s PRO 34 Cb -0.32 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1pm6 s PRO 34 CO 0.39 -0.47 0.76 0.08 0.04 0.00 0.00 177.00 177.81 1pm6 s VAL 35 N -2.34 4.79 -0.42 -0.36 1.01 -0.45 -4.83 120.40 117.80 1pm6 s VAL 35 Ca 0.63 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.35 1pm6 s VAL 35 Cb -0.14 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1pm6 s VAL 35 CO 0.28 -0.30 1.35 -0.75 0.00 0.00 0.00 175.10 175.68 1pm6 s LYS 36 N 2.96 3.63 -0.05 2.72 2.20 -1.26 -0.73 119.74 129.20 1pm6 s LYS 36 Ca 0.31 0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 56.79 1pm6 s LYS 36 Cb -0.14 -3.99 -0.00 0.00 -1.51 0.00 0.00 37.83 32.19 1pm6 s LYS 36 CO 0.14 -1.49 -0.03 0.22 -0.36 0.00 0.00 175.35 173.83 1pm6 h ASP 37 N 10.29 0.00 0.00 1.43 1.82 -1.96 -3.50 116.42 124.50 1pm6 h ASP 37 Ca -0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1pm6 h ASP 37 Cb 1.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1pm6 h ASP 37 CO 1.09 0.28 0.00 0.61 -1.61 0.00 0.00 179.24 179.61 1pm6 n GLY 38 N 1.83 0.00 0.13 -0.78 0.00 -1.26 -5.06 105.19 100.06 1pm6 n GLY 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.06 1.61 5.12 -1.26 -5.15 116.66 112.93 1pm6 n ARG 39 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1pm6 n ARG 39 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pm6 s GLU 40 N -1.53 0.46 0.18 5.56 2.02 -1.26 -5.14 118.70 118.98 1pm6 s GLU 40 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 1pm6 s GLU 40 Cb 0.00 -0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.91 1pm6 s GLU 40 CO 0.00 0.04 1.23 0.71 0.02 0.00 0.00 175.26 177.26 1pm6 s TYR 41 N -1.12 3.38 -0.67 1.61 1.51 -1.26 -4.25 117.35 116.55 1pm6 s TYR 41 Ca -0.08 1.36 -0.22 0.00 -1.01 0.00 0.00 57.07 57.12 1pm6 s TYR 41 Cb -0.08 -3.48 0.08 0.00 -0.11 0.00 0.00 41.96 38.37 1pm6 s TYR 41 CO 0.00 -1.39 0.95 -0.51 -1.11 0.00 0.00 175.55 173.49 1pm6 s LEU 42 N -0.15 4.51 -0.18 -1.29 1.43 0.09 -2.50 118.68 120.59 1pm6 s LEU 42 Ca 0.54 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.33 1pm6 s LEU 42 Cb -0.34 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1pm6 s LEU 42 CO 0.37 -1.39 0.69 -0.36 0.23 0.00 0.00 176.35 175.88 1pm6 s PHE 43 N 3.87 3.41 0.48 0.29 0.40 -0.19 -1.34 117.98 124.90 1pm6 s PHE 43 Ca 0.22 1.04 -0.23 0.00 -0.60 0.00 0.00 56.93 57.36 1pm6 s PHE 43 Cb -0.17 -2.85 -0.07 0.00 0.51 0.00 0.00 43.02 40.44 1pm6 s PHE 43 CO 0.09 -0.16 1.25 -1.58 0.70 0.00 0.00 175.22 175.52 1pm6 s HIS 44 N 1.83 2.67 -1.11 0.36 2.46 -1.26 -0.59 115.29 119.65 1pm6 s HIS 44 Ca 0.32 1.46 -0.20 0.00 0.47 0.00 0.00 55.06 57.11 1pm6 s HIS 44 Cb -0.16 -3.57 -0.06 0.00 -0.13 0.00 0.00 32.58 28.66 1pm6 s HIS 44 CO 0.12 -2.08 1.97 0.39 -2.47 0.00 0.00 174.74 172.67 1pm6 n GLU 45 N -0.55 2.13 0.00 2.88 1.02 -1.26 -1.83 120.64 123.02 1pm6 n GLU 45 Ca 0.08 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1pm6 n GLU 45 Cb 0.46 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 1pm6 n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pm6 n SER 46 N 8.86 0.00 -4.66 1.62 2.88 -1.26 -4.74 113.62 116.31 1pm6 n SER 46 Ca 0.49 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.61 1pm6 n SER 46 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pm6 s ALA 47 N 0.00 3.62 0.02 -1.46 0.00 -0.76 -4.68 121.76 118.49 1pm6 s ALA 47 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1pm6 s ALA 47 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 1pm6 s ALA 47 CO 0.00 -1.43 -0.09 0.14 0.00 0.00 0.00 175.76 174.38 1pm6 s VAL 48 N 4.00 0.72 -0.01 0.00 -7.23 -0.89 -4.84 120.40 112.15 1pm6 s VAL 48 Ca 0.80 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 1pm6 s VAL 48 Cb -0.38 -0.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 1pm6 s VAL 48 CO 0.35 -0.01 1.68 -1.59 -0.31 0.00 0.00 175.10 175.21 1pm6 s LYS 49 N -0.79 4.18 -1.23 4.82 0.00 -1.26 -1.55 119.74 123.92 1pm6 s LYS 49 Ca -0.01 2.26 -0.19 0.00 0.00 0.00 0.00 55.97 58.03 1pm6 s LYS 49 Cb -0.06 -3.91 -0.01 0.00 0.00 0.00 0.00 37.83 33.86 1pm6 s LYS 49 CO 0.00 -0.82 1.90 1.33 0.00 0.00 0.00 175.35 177.76 1pm6 n VAL 50 N 5.29 3.05 -2.51 1.79 0.24 0.04 -4.94 118.33 121.28 1pm6 n VAL 50 Ca 0.17 -3.03 -0.43 0.00 -2.04 0.00 0.00 64.34 59.01 1pm6 n VAL 50 Cb 0.42 -2.34 -0.02 0.00 -1.47 0.00 0.00 33.84 30.43 1pm6 n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pm6 s ASP 51 N 4.76 6.44 -0.53 -1.34 2.15 -1.26 -4.96 116.67 121.94 1pm6 s ASP 51 Ca 0.57 0.40 -0.27 0.00 0.43 0.00 0.00 52.55 53.69 1pm6 s ASP 51 Cb 0.06 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1pm6 s ASP 51 CO 0.07 -1.43 1.90 -0.22 -0.17 0.00 0.00 175.17 175.33 1pm6 s LEU 52 N 5.04 3.36 -0.14 -1.34 0.20 -1.26 -4.93 118.68 119.61 1pm6 s LEU 52 Ca 0.50 0.66 -0.07 0.00 0.69 0.00 0.00 54.13 55.91 1pm6 s LEU 52 Cb -0.09 -2.78 0.05 0.00 -0.43 0.00 0.00 46.19 42.95 1pm6 s LEU 52 CO 0.29 -2.26 0.33 0.20 -0.29 0.00 0.00 176.35 174.61 1pm6 s ASN 53 N 8.04 -0.37 -0.07 3.68 0.01 -1.26 -5.16 114.94 119.81 1pm6 s ASN 53 Ca 0.74 0.70 -0.00 0.00 -0.71 0.00 0.00 52.86 53.59 1pm6 s ASN 53 Cb -0.16 0.60 0.02 0.00 0.41 0.00 0.00 41.25 42.13 1pm6 s ASN 53 CO 0.25 -0.18 -0.03 -0.60 -1.51 0.00 0.00 177.10 175.02 1pm6 s ARG 54 N 1.37 0.88 0.71 -0.60 6.06 -1.26 -5.17 118.95 120.95 1pm6 s ARG 54 Ca -0.09 -0.05 -0.13 0.00 -2.50 0.00 0.00 55.73 52.96 1pm6 s ARG 54 Cb -0.10 -1.03 0.02 0.00 0.06 0.00 0.00 34.95 33.91 1pm6 s ARG 54 CO -0.11 -0.20 1.09 -1.25 -2.50 0.00 0.00 175.30 172.34 1pm6 s PRO 55 N 1.46 2.59 0.09 5.12 0.04 -1.26 -4.99 135.00 138.05 1pm6 s PRO 55 Ca -0.02 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 1pm6 s PRO 55 Cb -0.13 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1pm6 s PRO 55 CO -0.03 -1.39 1.44 0.14 0.04 0.00 0.00 177.00 177.20 1pm6 s VAL 56 N -2.67 3.31 -0.02 -0.36 -7.23 -1.26 -5.03 120.40 107.13 1pm6 s VAL 56 Ca 0.63 0.87 0.01 0.00 -1.81 0.00 0.00 61.98 61.69 1pm6 s VAL 56 Cb -0.18 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1pm6 s VAL 56 CO 0.49 0.04 -0.05 0.28 -0.31 0.00 0.00 175.10 175.55 1pm6 s THR 57 N 1.60 0.47 0.00 5.32 -1.32 -1.26 -5.14 115.64 115.31 1pm6 s THR 57 Ca 0.66 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1pm6 s THR 57 Cb -0.37 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1pm6 s THR 57 CO 0.30 0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1pm6 n GLY 58 N 3.43 1.24 3.57 6.08 0.00 -1.26 -5.15 105.19 113.10 1pm6 n GLY 58 Ca -0.19 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1pm6 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pm6 s SER 59 N 0.00 6.27 -0.24 1.61 0.15 -1.26 -5.08 113.70 115.16 1pm6 s SER 59 Ca 0.00 0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 1pm6 s SER 59 Cb 0.00 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 1pm6 s SER 59 CO 0.00 -0.37 0.15 -0.22 1.20 0.00 0.00 173.24 174.01 1pm6 s LEU 60 N 2.21 4.09 -0.16 3.45 0.20 -1.26 -5.10 118.68 122.11 1pm6 s LEU 60 Ca 0.16 0.10 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 1pm6 s LEU 60 Cb -0.16 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1pm6 s LEU 60 CO 0.12 0.07 0.43 -1.48 -0.29 0.00 0.00 176.35 175.19 1pm6 s LEU 61 N 1.04 4.21 -0.12 -0.68 2.34 -1.26 -5.10 118.68 119.12 1pm6 s LEU 61 Ca 0.07 0.64 -0.04 0.00 0.06 0.00 0.00 54.13 54.87 1pm6 s LEU 61 Cb -0.13 -2.58 -0.03 0.00 -0.56 0.00 0.00 46.19 42.88 1pm6 s LEU 61 CO 0.04 -0.03 0.02 -0.75 -1.06 0.00 0.00 176.35 174.57 1pm6 s LYS 62 N 0.97 3.32 -0.04 1.48 2.20 -1.26 -5.12 119.74 121.29 1pm6 s LYS 62 Ca 0.22 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1pm6 s LYS 62 Cb -0.15 -2.94 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1pm6 s LYS 62 CO 0.08 0.57 0.03 0.50 -0.36 0.00 0.00 175.35 176.18 1pm6 s ARG 63 N -0.50 0.10 -0.06 4.03 3.52 -1.26 -5.15 118.95 119.63 1pm6 s ARG 63 Ca 0.09 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1pm6 s ARG 63 Cb -0.12 -0.50 0.02 0.00 -1.56 0.00 0.00 34.95 32.79 1pm6 s ARG 63 CO 0.02 -0.25 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.72 1pm6 s ILE 64 N 1.65 0.61 -0.29 4.11 1.10 -1.26 -5.13 121.20 122.00 1pm6 s ILE 64 Ca -0.01 -0.12 0.01 0.00 -0.51 0.00 0.00 60.65 60.02 1pm6 s ILE 64 Cb -0.13 -0.66 0.16 0.00 0.15 0.00 0.00 42.46 41.98 1pm6 s ILE 64 CO -0.03 0.26 0.39 -0.60 -2.11 0.00 0.00 174.94 172.85 1pm6 s ARG 65 N 1.23 0.40 0.08 3.50 3.00 -1.26 -5.16 118.95 120.74 1pm6 s ARG 65 Ca -0.06 0.12 -0.02 0.00 -1.00 0.00 0.00 55.73 54.77 1pm6 s ARG 65 Cb -0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 34.95 34.40 1pm6 s ARG 65 CO -0.02 -1.01 0.26 -0.80 0.00 0.00 0.00 175.30 173.74 1pm6 s ASN 66 N 2.52 6.41 -0.02 -2.12 0.01 -1.26 -5.13 114.94 115.35 1pm6 s ASN 66 Ca 0.10 0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1pm6 s ASN 66 Cb -0.13 -2.01 0.02 0.00 0.41 0.00 0.00 41.25 39.54 1pm6 s ASN 66 CO -0.30 0.13 -0.01 -0.83 -1.51 0.00 0.00 177.10 174.59 1pm6 s GLY 67 N -2.46 0.20 0.03 0.66 0.00 -1.26 -5.17 107.32 99.32 1pm6 s GLY 67 Ca 0.37 0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.18 1pm6 s GLY 67 CO 0.26 0.33 -0.11 -1.59 0.00 0.00 0.00 173.10 171.99 1pm6 s LYS 68 N 0.60 0.76 -0.17 2.90 0.00 -1.26 -5.15 119.74 117.41 1pm6 s LYS 68 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 55.97 55.21 1pm6 s LYS 68 Cb -0.09 -0.71 0.06 0.00 0.00 0.00 0.00 37.83 37.09 1pm6 s LYS 68 CO -0.01 0.18 0.40 0.21 0.00 0.00 0.00 175.35 176.13 1pm6 s LYS 69 N -0.93 0.38 0.17 1.78 2.20 -1.26 -5.18 119.74 116.91 1pm6 s LYS 69 Ca -0.00 0.79 0.07 0.00 -0.36 0.00 0.00 55.97 56.46 1pm6 s LYS 69 Cb -0.07 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1pm6 s LYS 69 CO 0.01 -0.16 -0.13 0.00 -0.36 0.00 0.00 175.35 174.70 1pm6 s ALA 70 N 1.44 1.78 0.19 3.13 0.00 -1.26 -5.15 121.76 121.89 1pm6 s ALA 70 Ca -0.09 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 1pm6 s ALA 70 Cb -0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 1pm6 s ALA 70 CO -0.13 0.04 1.10 0.21 0.00 0.00 0.00 175.76 176.98 1pm6 s LYS 71 N -3.48 4.60 0.00 0.00 2.20 -1.26 -5.39 119.74 116.40 1pm6 s LYS 71 Ca 0.18 1.73 0.16 0.00 -0.36 0.00 0.00 55.97 57.69 1pm6 s LYS 71 Cb -0.01 -3.27 0.96 0.00 -1.51 0.00 0.00 37.83 34.01 1pm6 s LYS 71 CO 0.04 0.08 1.37 -1.13 -0.36 0.00 0.00 175.35 175.36