#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 3.51 0.22 2.03 2.02 -1.26 -3.87 117.35 119.99 1pm6 s TYR 2 Ca 0.00 0.59 -0.27 0.00 -0.37 0.00 0.00 57.07 57.02 1pm6 s TYR 2 Cb 0.00 -2.23 -0.09 0.00 -0.40 0.00 0.00 41.96 39.25 1pm6 s TYR 2 CO 0.00 0.40 0.86 -1.17 -1.57 0.00 0.00 175.55 174.07 1pm6 s LEU 3 N -0.04 4.58 0.50 -1.29 2.96 0.11 -4.92 118.68 120.58 1pm6 s LEU 3 Ca 0.16 1.78 -0.19 0.00 -0.22 0.00 0.00 54.13 55.66 1pm6 s LEU 3 Cb -0.13 -3.51 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 1pm6 s LEU 3 CO 0.04 0.16 1.04 -0.89 -1.32 0.00 0.00 176.35 175.37 1pm6 s THR 4 N -1.22 3.83 0.26 3.68 2.01 -1.26 -0.70 115.64 122.24 1pm6 s THR 4 Ca 0.40 1.09 -0.04 0.00 0.31 0.00 0.00 61.69 63.44 1pm6 s THR 4 Cb -0.24 -3.45 0.28 0.00 0.01 0.00 0.00 72.50 69.11 1pm6 s THR 4 CO 0.28 -0.30 1.64 0.25 -0.69 0.00 0.00 174.62 175.81 1pm6 h LEU 5 N 1.37 -0.21 -0.42 4.42 6.46 -1.90 0.17 115.31 125.21 1pm6 h LEU 5 Ca -0.49 0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.49 1pm6 h LEU 5 Cb 1.22 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 41.42 1pm6 h LEU 5 CO 0.59 -0.16 0.23 -0.61 -0.62 0.00 0.00 178.44 177.87 1pm6 h GLN 6 N 0.15 0.44 -0.05 1.25 4.15 -1.94 -1.27 115.11 117.84 1pm6 h GLN 6 Ca 0.46 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.74 1pm6 h GLN 6 Cb 0.84 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1pm6 h GLN 6 CO -0.65 0.29 -0.45 0.93 -1.93 0.00 0.00 178.83 177.02 1pm6 h GLU 7 N 0.46 0.12 0.26 1.69 3.07 -1.75 -1.81 114.58 116.61 1pm6 h GLU 7 Ca 0.18 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1pm6 h GLU 7 Cb 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1pm6 h GLU 7 CO -0.11 0.55 -0.14 2.35 -1.40 0.00 0.00 179.01 180.26 1pm6 h TRP 8 N 0.10 -0.38 -0.36 4.33 7.01 -0.60 -1.63 115.95 124.42 1pm6 h TRP 8 Ca 0.01 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1pm6 h TRP 8 Cb 0.84 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.96 1pm6 h TRP 8 CO 0.01 -0.23 -0.12 -0.97 -2.79 0.00 0.00 178.44 174.34 1pm6 h ASN 9 N -0.38 -0.43 -0.89 2.65 -1.24 -1.23 -1.50 115.58 112.57 1pm6 h ASN 9 Ca -0.03 0.12 0.09 0.00 0.71 0.00 0.00 56.30 57.19 1pm6 h ASN 9 Cb 0.31 0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.55 1pm6 h ASN 9 CO 0.04 -0.15 0.57 0.00 -1.29 0.00 0.00 177.43 176.60 1pm6 h ALA 10 N 1.28 1.63 0.00 1.57 0.00 -1.35 -2.78 119.26 119.61 1pm6 h ALA 10 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1pm6 h ALA 10 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pm6 h ALA 10 CO -0.39 0.19 -0.31 0.00 0.00 0.00 0.00 179.25 178.74 1pm6 h ARG 11 N 0.89 0.00 -6.36 0.00 3.08 -1.09 -3.44 114.38 107.46 1pm6 h ARG 11 Ca 0.41 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.92 1pm6 h ARG 11 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pm6 h ARG 11 CO -0.17 0.31 1.00 -0.65 -1.07 0.00 0.00 179.97 179.39 1pm6 s GLN 12 N -3.43 4.21 -0.39 0.04 -1.52 -0.58 -4.91 119.66 113.08 1pm6 s GLN 12 Ca 0.02 2.20 -0.39 0.00 -1.95 0.00 0.00 55.36 55.23 1pm6 s GLN 12 Cb 0.09 -3.75 -0.15 0.00 -0.22 0.00 0.00 33.01 28.98 1pm6 s GLN 12 CO 0.68 -0.75 2.08 2.89 -0.25 0.00 0.00 175.29 179.94 1pm6 n ARG 13 N 6.17 0.70 -2.25 2.91 1.85 -1.26 -3.36 116.66 121.42 1pm6 n ARG 13 Ca 0.16 0.21 -0.01 0.00 -1.00 0.00 0.00 57.85 57.20 1pm6 n ARG 13 Cb 0.42 -2.05 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 1pm6 n ARG 13 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1pm6 n ARG 14 N 7.36 -1.94 -2.16 2.89 0.63 -1.26 -4.96 116.66 117.21 1pm6 n ARG 14 Ca 0.43 1.78 -0.42 0.00 -0.92 0.00 0.00 57.85 58.72 1pm6 n ARG 14 Cb 0.11 -3.73 -0.03 0.00 0.45 0.00 0.00 32.46 29.27 1pm6 n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1pm6 s PRO 15 N -1.22 4.27 0.00 -0.14 0.04 -1.21 -4.98 135.00 131.75 1pm6 s PRO 15 Ca 0.04 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1pm6 s PRO 15 Cb -0.01 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1pm6 s PRO 15 CO 0.47 -0.60 0.00 0.54 0.04 0.00 0.00 177.00 177.45 1pm6 n ARG 16 N 5.29 0.00 -3.61 4.56 1.74 -1.26 -5.06 116.66 118.32 1pm6 n ARG 16 Ca 0.14 0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 1pm6 n ARG 16 Cb 0.43 -0.36 -0.05 0.00 -1.02 0.00 0.00 32.46 31.45 1pm6 n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pm6 s SER 17 N -2.54 -0.36 0.26 0.55 1.04 -1.26 -5.02 113.70 106.37 1pm6 s SER 17 Ca 0.00 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1pm6 s SER 17 Cb 0.00 0.47 0.34 0.00 0.10 0.00 0.00 66.02 66.93 1pm6 s SER 17 CO 0.00 -0.73 1.80 -0.07 0.98 0.00 0.00 173.24 175.22 1pm6 h LEU 18 N 2.78 0.83 -1.21 2.42 3.38 -1.98 -2.50 115.31 119.03 1pm6 h LEU 18 Ca -0.32 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1pm6 h LEU 18 Cb 1.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1pm6 h LEU 18 CO 0.43 0.82 0.18 -0.33 0.09 0.00 0.00 178.44 179.63 1pm6 h GLU 19 N 0.85 0.73 0.14 1.13 5.08 -1.98 -1.12 114.58 119.41 1pm6 h GLU 19 Ca 0.18 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pm6 h GLU 19 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pm6 h GLU 19 CO 0.00 0.62 -0.12 1.15 -1.00 0.00 0.00 179.01 179.66 1pm6 h THR 20 N 0.72 0.73 -0.72 1.13 2.02 -1.90 0.09 112.91 114.97 1pm6 h THR 20 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1pm6 h THR 20 Cb 0.18 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1pm6 h THR 20 CO -0.01 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.94 1pm6 h VAL 21 N -0.28 1.19 -0.81 3.16 2.07 -1.47 -1.41 116.25 118.69 1pm6 h VAL 21 Ca -0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pm6 h VAL 21 Cb 0.26 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1pm6 h VAL 21 CO -0.02 0.18 0.46 -0.09 0.02 0.00 0.00 177.57 178.12 1pm6 h ARG 22 N 0.98 1.12 -0.61 1.57 1.12 -1.17 -1.75 114.38 115.64 1pm6 h ARG 22 Ca 0.27 -0.12 0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1pm6 h ARG 22 Cb -0.11 -0.23 -0.03 0.00 -0.01 0.00 0.00 29.97 29.58 1pm6 h ARG 22 CO -0.06 0.81 0.39 -0.09 -3.11 0.00 0.00 179.97 177.90 1pm6 h ARG 23 N 1.13 0.75 -0.92 0.20 9.65 -0.82 -2.03 114.38 122.34 1pm6 h ARG 23 Ca 0.29 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.20 1pm6 h ARG 23 Cb 0.00 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.35 1pm6 h ARG 23 CO -0.05 0.50 0.59 -1.49 2.80 0.00 0.00 179.97 182.32 1pm6 h TRP 24 N 0.77 1.05 -0.13 2.20 6.55 -0.98 0.04 115.95 125.44 1pm6 h TRP 24 Ca 0.23 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.10 1pm6 h TRP 24 Cb -0.03 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 27.92 1pm6 h TRP 24 CO -0.04 0.53 0.07 0.28 -1.05 0.00 0.00 178.44 178.22 1pm6 h VAL 25 N 1.01 1.10 -0.67 1.49 2.07 -1.27 -2.76 116.25 117.21 1pm6 h VAL 25 Ca 0.40 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1pm6 h VAL 25 Cb 0.25 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1pm6 h VAL 25 CO -0.16 0.09 0.44 0.03 0.02 0.00 0.00 177.57 177.99 1pm6 h ARG 26 N 0.11 0.71 0.00 1.57 3.08 -1.02 -1.77 114.38 117.07 1pm6 h ARG 26 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pm6 h ARG 26 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1pm6 h ARG 26 CO -0.01 0.47 0.00 0.93 -1.07 0.00 0.00 179.97 180.29 1pm6 h GLU 27 N 0.73 0.00 -5.66 0.04 3.07 -1.00 -3.49 114.58 108.28 1pm6 h GLU 27 Ca 0.28 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.81 1pm6 h GLU 27 Cb 0.19 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 28.27 1pm6 h GLU 27 CO -0.09 0.00 -0.76 0.43 -1.40 0.00 0.00 179.01 177.19 1pm6 n SER 28 N -3.01 -2.28 -1.28 1.42 7.64 -0.67 -5.00 113.62 110.45 1pm6 n SER 28 Ca -0.01 -0.61 -0.08 0.00 1.01 0.00 0.00 58.87 59.18 1pm6 n SER 28 Cb 0.20 -5.12 0.15 0.00 -1.01 0.00 0.00 64.21 58.44 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 -4.17 2.22 -4.27 1.43 1.74 -1.19 -5.00 116.66 107.42 1pm6 n ARG 29 Ca -0.27 -3.45 -0.24 0.00 -0.77 0.00 0.00 57.85 53.11 1pm6 n ARG 29 Cb 0.66 -1.90 -0.17 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.66 0.90 -0.01 0.55 1.01 -1.26 -0.99 121.20 117.75 1pm6 s ILE 30 Ca 0.46 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1pm6 s ILE 30 Cb 0.41 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1pm6 s ILE 30 CO -0.01 0.32 -0.02 0.12 0.00 0.00 0.00 174.94 175.34 1pm6 s PHE 31 N 1.05 0.24 0.63 3.97 5.36 -0.26 -4.06 117.98 124.92 1pm6 s PHE 31 Ca -0.08 -0.04 -0.17 0.00 -0.96 0.00 0.00 56.93 55.69 1pm6 s PHE 31 Cb -0.14 -0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1pm6 s PHE 31 CO -0.01 -0.02 1.15 -1.25 -1.46 0.00 0.00 175.22 173.64 1pm6 s PRO 32 N 0.07 2.82 0.42 10.12 0.04 -1.26 -2.15 135.00 145.07 1pm6 s PRO 32 Ca -0.00 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1pm6 s PRO 32 Cb -0.03 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1pm6 s PRO 32 CO -0.00 -1.27 1.20 -1.25 0.04 0.00 0.00 177.00 175.71 1pm6 s PRO 33 N -3.72 3.93 0.54 0.56 0.04 -1.26 -4.76 135.00 130.34 1pm6 s PRO 33 Ca 0.72 1.90 -0.19 0.00 0.04 0.00 0.00 61.00 63.47 1pm6 s PRO 33 Cb -0.25 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1pm6 s PRO 33 CO 0.37 -0.44 1.10 -1.25 0.04 0.00 0.00 177.00 176.82 1pm6 s PRO 34 N -2.40 3.44 -0.21 0.56 0.04 -1.26 -4.92 135.00 130.24 1pm6 s PRO 34 Ca 0.59 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 1pm6 s PRO 34 Cb -0.32 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1pm6 s PRO 34 CO 0.40 -0.76 0.89 0.08 0.04 0.00 0.00 177.00 177.65 1pm6 s VAL 35 N -1.90 4.81 -0.53 -0.36 1.01 -0.09 -4.79 120.40 118.54 1pm6 s VAL 35 Ca 0.70 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 64.13 1pm6 s VAL 35 Cb -0.21 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1pm6 s VAL 35 CO 0.26 -0.06 1.52 -0.75 0.00 0.00 0.00 175.10 176.07 1pm6 s LYS 36 N 2.65 3.23 0.12 2.72 2.20 -1.26 -0.80 119.74 128.60 1pm6 s LYS 36 Ca 0.39 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1pm6 s LYS 36 Cb -0.16 -4.16 -0.15 0.00 -1.51 0.00 0.00 37.83 31.85 1pm6 s LYS 36 CO 0.09 -2.01 1.26 0.22 -0.36 0.00 0.00 175.35 174.56 1pm6 h ASP 37 N 11.76 0.37 0.00 1.43 3.58 -1.95 -3.50 116.42 128.11 1pm6 h ASP 37 Ca -0.27 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.84 1pm6 h ASP 37 Cb 1.11 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1pm6 h ASP 37 CO 1.16 1.19 0.00 0.61 -2.88 0.00 0.00 179.24 179.32 1pm6 n GLY 38 N 1.17 2.07 0.08 -0.78 0.00 -1.26 -4.98 105.19 101.49 1pm6 n GLY 38 Ca -0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1pm6 n GLY 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pm6 h ARG 39 N 0.00 -0.03 -3.88 1.61 9.65 -2.01 -3.49 114.38 116.23 1pm6 h ARG 39 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1pm6 h ARG 39 Cb 0.00 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 28.45 1pm6 h ARG 39 CO 0.00 0.67 -0.42 -2.00 2.80 0.00 0.00 179.97 181.02 1pm6 s GLU 40 N -2.61 0.80 0.21 0.20 2.12 -1.26 -5.16 118.70 113.00 1pm6 s GLU 40 Ca -0.15 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 53.88 1pm6 s GLU 40 Cb -0.01 0.32 -0.09 0.00 0.26 0.00 0.00 34.13 34.61 1pm6 s GLU 40 CO 0.56 -0.24 1.31 0.71 -0.54 0.00 0.00 175.26 177.06 1pm6 s TYR 41 N -3.87 3.25 -0.38 5.30 2.02 -1.26 -3.70 117.35 118.72 1pm6 s TYR 41 Ca 0.05 1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 57.87 1pm6 s TYR 41 Cb 0.05 -3.61 0.02 0.00 -0.40 0.00 0.00 41.96 38.03 1pm6 s TYR 41 CO -0.11 -1.87 0.23 -0.51 -1.57 0.00 0.00 175.55 171.72 1pm6 s LEU 42 N -0.23 4.75 0.05 -1.29 1.43 0.02 -2.72 118.68 120.69 1pm6 s LEU 42 Ca 0.56 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 1pm6 s LEU 42 Cb -0.37 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1pm6 s LEU 42 CO 0.39 -0.37 0.60 -0.36 0.23 0.00 0.00 176.35 176.83 1pm6 s PHE 43 N 1.61 3.77 0.42 0.29 0.40 0.13 -0.91 117.98 123.68 1pm6 s PHE 43 Ca 0.03 1.28 -0.23 0.00 -0.60 0.00 0.00 56.93 57.41 1pm6 s PHE 43 Cb -0.19 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 40.70 1pm6 s PHE 43 CO 0.08 0.50 1.07 -1.58 0.70 0.00 0.00 175.22 175.99 1pm6 s HIS 44 N -0.77 3.16 -0.66 0.36 2.46 -1.26 0.04 115.29 118.62 1pm6 s HIS 44 Ca 0.30 1.61 -0.23 0.00 0.47 0.00 0.00 55.06 57.22 1pm6 s HIS 44 Cb -0.19 -3.17 -0.19 0.00 -0.13 0.00 0.00 32.58 28.90 1pm6 s HIS 44 CO 0.19 -0.83 1.88 -0.85 -2.47 0.00 0.00 174.74 172.66 1pm6 n GLU 45 N -0.23 1.30 0.00 2.88 0.28 -1.25 -1.95 120.64 121.66 1pm6 n GLU 45 Ca 0.06 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.36 1pm6 n GLU 45 Cb 0.49 -2.84 0.00 0.00 1.43 0.00 0.00 31.44 30.53 1pm6 n GLU 45 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1pm6 n SER 46 N 7.57 0.00 -4.68 -1.84 3.41 -1.26 -5.11 113.62 111.71 1pm6 n SER 46 Ca 0.49 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.66 1pm6 n SER 46 Cb 0.39 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pm6 n ALA 47 N 0.00 1.62 -2.22 7.33 0.00 -0.82 -4.80 120.51 121.62 1pm6 n ALA 47 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1pm6 n ALA 47 Cb 0.00 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 16.76 1pm6 n ALA 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pm6 s VAL 48 N 3.49 0.39 0.06 0.00 -7.23 -0.91 -4.89 120.40 111.31 1pm6 s VAL 48 Ca 0.87 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 1pm6 s VAL 48 Cb -0.53 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 1pm6 s VAL 48 CO 0.42 -0.32 1.75 -0.54 -0.31 0.00 0.00 175.10 176.10 1pm6 s LYS 49 N -4.01 4.17 -0.25 4.82 3.01 -1.26 -1.10 119.74 125.12 1pm6 s LYS 49 Ca 0.28 2.43 -0.10 0.00 -1.01 0.00 0.00 55.97 57.57 1pm6 s LYS 49 Cb 0.07 -3.76 -0.05 0.00 -1.01 0.00 0.00 37.83 33.09 1pm6 s LYS 49 CO 0.06 -0.82 0.15 0.54 0.51 0.00 0.00 175.35 175.80 1pm6 s VAL 50 N 3.20 5.23 -1.13 3.17 0.11 -0.16 -4.66 120.40 126.15 1pm6 s VAL 50 Ca 0.78 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.83 1pm6 s VAL 50 Cb -0.41 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 1pm6 s VAL 50 CO 0.35 0.33 0.82 -0.67 -3.33 0.00 0.00 175.10 172.59 1pm6 n ASP 51 N 4.49 -5.24 -4.90 3.54 -0.08 -1.26 -4.78 116.55 108.33 1pm6 n ASP 51 Ca -0.15 -0.90 -0.32 0.00 -1.51 0.00 0.00 54.79 51.90 1pm6 n ASP 51 Cb 0.52 -4.01 -0.05 0.00 2.34 0.00 0.00 41.12 39.92 1pm6 n ASP 51 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1pm6 s LEU 52 N -6.17 4.32 -1.16 -2.67 -0.00 -1.26 -5.05 118.68 106.69 1pm6 s LEU 52 Ca 0.42 0.53 -0.08 0.00 -0.00 0.00 0.00 54.13 54.99 1pm6 s LEU 52 Cb -0.12 -3.05 0.25 0.00 -0.00 0.00 0.00 46.19 43.27 1pm6 s LEU 52 CO 0.82 0.14 1.45 -3.20 -0.00 0.00 0.00 176.35 175.56 1pm6 n ASN 53 N 0.46 5.67 -2.90 1.48 2.85 -1.26 -4.82 115.26 116.74 1pm6 n ASN 53 Ca -0.06 -3.16 -0.03 0.00 -0.11 0.00 0.00 54.58 51.23 1pm6 n ASN 53 Cb 0.52 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.14 1pm6 n ASN 53 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1pm6 s ARG 54 N -0.87 1.00 0.00 1.20 6.06 -1.26 -5.11 118.95 119.97 1pm6 s ARG 54 Ca 0.35 -0.83 0.00 0.00 -2.50 0.00 0.00 55.73 52.75 1pm6 s ARG 54 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.00 1pm6 s ARG 54 CO 0.01 -1.29 0.18 -0.35 -2.50 0.00 0.00 175.30 171.36 1pm6 n PRO 55 N 3.39 0.00 -3.73 5.12 -0.04 -1.26 -5.02 135.00 133.46 1pm6 n PRO 55 Ca 0.16 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1pm6 n PRO 55 Cb 0.56 -0.98 -0.09 0.00 -0.04 0.00 0.00 33.50 32.95 1pm6 n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pm6 s VAL 56 N -1.12 0.02 0.24 0.52 0.11 -1.26 -5.09 120.40 113.82 1pm6 s VAL 56 Ca 0.00 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1pm6 s VAL 56 Cb 0.00 -0.60 0.07 0.00 -1.53 0.00 0.00 36.38 34.32 1pm6 s VAL 56 CO 0.00 -0.09 1.69 0.71 -3.33 0.00 0.00 175.10 174.08 1pm6 h THR 57 N 4.20 1.26 0.00 5.04 1.35 -2.04 -3.49 112.91 119.22 1pm6 h THR 57 Ca -0.28 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1pm6 h THR 57 Cb 1.18 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1pm6 h THR 57 CO 0.31 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1pm6 n GLY 58 N -0.42 -0.13 2.89 5.82 0.00 -1.26 -5.11 105.19 106.98 1pm6 n GLY 58 Ca 0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 4.30 0.21 1.61 0.15 -1.26 -5.13 113.70 113.58 1pm6 s SER 59 Ca 0.00 -1.75 -0.17 0.00 0.70 0.00 0.00 55.95 54.73 1pm6 s SER 59 Cb 0.00 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.99 1pm6 s SER 59 CO 0.00 -0.36 0.65 -0.76 1.20 0.00 0.00 173.24 173.97 1pm6 s LEU 60 N 1.28 4.30 -0.04 3.45 1.02 -1.26 -5.11 118.68 122.31 1pm6 s LEU 60 Ca 0.07 1.25 -0.00 0.00 0.02 0.00 0.00 54.13 55.47 1pm6 s LEU 60 Cb -0.18 -3.53 0.03 0.00 0.02 0.00 0.00 46.19 42.52 1pm6 s LEU 60 CO -0.14 0.02 0.00 -0.22 0.02 0.00 0.00 176.35 176.04 1pm6 s LEU 61 N -2.13 0.95 -0.01 1.79 2.96 -1.26 -5.16 118.68 115.82 1pm6 s LEU 61 Ca 0.43 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1pm6 s LEU 61 Cb -0.15 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1pm6 s LEU 61 CO 0.20 -0.13 0.02 -0.75 -1.32 0.00 0.00 176.35 174.36 1pm6 s LYS 62 N 1.33 0.01 0.37 1.98 2.20 -1.26 -5.18 119.74 119.19 1pm6 s LYS 62 Ca -0.05 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1pm6 s LYS 62 Cb -0.13 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 1pm6 s LYS 62 CO -0.02 -0.02 0.58 -0.98 -0.36 0.00 0.00 175.35 174.54 1pm6 s ARG 63 N 0.15 3.44 -0.19 4.03 1.70 -1.26 -5.12 118.95 121.70 1pm6 s ARG 63 Ca -0.01 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1pm6 s ARG 63 Cb -0.02 -2.63 0.03 0.00 -0.57 0.00 0.00 34.95 31.76 1pm6 s ARG 63 CO -0.00 0.08 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.64 1pm6 s ILE 64 N -2.37 1.86 -0.10 4.99 1.10 -1.26 -5.14 121.20 120.28 1pm6 s ILE 64 Ca 0.41 -0.98 0.00 0.00 -0.51 0.00 0.00 60.65 59.58 1pm6 s ILE 64 Cb -0.10 -1.79 -0.02 0.00 0.15 0.00 0.00 42.46 40.70 1pm6 s ILE 64 CO 0.37 0.36 -0.09 -0.60 -2.11 0.00 0.00 174.94 172.87 1pm6 s ARG 65 N 1.34 3.07 0.61 3.50 3.52 -1.26 -5.14 118.95 124.59 1pm6 s ARG 65 Ca 0.02 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1pm6 s ARG 65 Cb -0.15 -2.63 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 1pm6 s ARG 65 CO -0.10 0.45 0.93 1.21 -0.81 0.00 0.00 175.30 176.98 1pm6 s ASN 66 N -0.25 5.52 0.00 -2.12 3.84 -1.26 -5.13 114.94 115.54 1pm6 s ASN 66 Ca 0.03 0.75 0.00 0.00 0.21 0.00 0.00 52.86 53.85 1pm6 s ASN 66 Cb -0.13 -1.70 0.00 0.00 -0.55 0.00 0.00 41.25 38.88 1pm6 s ASN 66 CO 0.03 -1.13 0.00 0.61 -2.79 0.00 0.00 177.10 173.81 1pm6 n GLY 67 N -2.66 5.37 3.46 1.21 0.00 -1.26 -5.18 105.19 106.13 1pm6 n GLY 67 Ca 0.05 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1pm6 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pm6 s LYS 68 N 0.18 0.56 -0.26 1.61 2.36 -1.26 -5.16 119.74 117.78 1pm6 s LYS 68 Ca 0.00 1.01 -0.09 0.00 -2.55 0.00 0.00 55.97 54.34 1pm6 s LYS 68 Cb 0.00 0.07 -0.04 0.00 -1.05 0.00 0.00 37.83 36.81 1pm6 s LYS 68 CO 0.00 -0.15 0.13 0.15 1.55 0.00 0.00 175.35 177.03 1pm6 s LYS 69 N 1.47 3.85 0.05 4.03 1.02 -1.26 -5.11 119.74 123.80 1pm6 s LYS 69 Ca -0.09 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.54 1pm6 s LYS 69 Cb -0.07 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1pm6 s LYS 69 CO -0.16 -0.13 0.05 0.00 -0.92 0.00 0.00 175.35 174.20 1pm6 s ALA 70 N 1.53 3.48 -0.13 5.17 0.00 -1.26 -5.13 121.76 125.41 1pm6 s ALA 70 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1pm6 s ALA 70 Cb -0.15 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1pm6 s ALA 70 CO 0.07 0.71 -0.04 0.21 0.00 0.00 0.00 175.76 176.71 1pm6 s LYS 71 N -2.09 1.19 0.00 0.00 2.47 -1.26 -5.38 119.74 114.67 1pm6 s LYS 71 Ca 0.26 -0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.39 1pm6 s LYS 71 Cb -0.12 -1.64 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 1pm6 s LYS 71 CO 0.18 -0.37 0.00 0.43 0.16 0.00 0.00 175.35 175.74