#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 2.73 0.17 2.03 2.02 -1.26 -1.92 117.35 121.12 1pm6 s TYR 2 Ca 0.00 -0.89 0.10 0.00 -0.37 0.00 0.00 57.07 55.90 1pm6 s TYR 2 Cb 0.00 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1pm6 s TYR 2 CO 0.00 -0.36 -0.17 -0.48 -1.57 0.00 0.00 175.55 172.97 1pm6 s LEU 3 N 0.50 2.70 0.77 -1.29 2.34 0.12 -4.89 118.68 118.92 1pm6 s LEU 3 Ca -0.11 -0.69 -0.14 0.00 0.06 0.00 0.00 54.13 53.25 1pm6 s LEU 3 Cb -0.16 -1.43 0.06 0.00 -0.56 0.00 0.00 46.19 44.09 1pm6 s LEU 3 CO 0.05 0.13 1.18 -0.89 -1.06 0.00 0.00 176.35 175.75 1pm6 s THR 4 N -1.58 2.39 0.15 5.48 2.01 -1.26 -0.98 115.64 121.85 1pm6 s THR 4 Ca 0.22 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 1pm6 s THR 4 Cb -0.09 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1pm6 s THR 4 CO 0.12 -0.12 1.63 0.25 -0.69 0.00 0.00 174.62 175.81 1pm6 h LEU 5 N -0.67 -0.74 -0.99 4.42 6.46 -1.93 0.22 115.31 122.08 1pm6 h LEU 5 Ca -0.46 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1pm6 h LEU 5 Cb 1.28 0.35 -0.05 0.00 -0.73 0.00 0.00 40.66 41.51 1pm6 h LEU 5 CO 0.48 -0.27 0.66 -0.61 -0.62 0.00 0.00 178.44 178.08 1pm6 h GLN 6 N -0.23 1.30 -0.70 1.25 4.15 -1.93 -2.02 115.11 116.93 1pm6 h GLN 6 Ca 0.14 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1pm6 h GLN 6 Cb 0.44 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1pm6 h GLN 6 CO -0.38 0.86 0.23 0.93 -1.93 0.00 0.00 178.83 178.54 1pm6 h GLU 7 N 1.34 1.07 -0.43 1.69 5.08 -1.80 -2.25 114.58 119.28 1pm6 h GLU 7 Ca 0.36 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1pm6 h GLU 7 Cb -0.15 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 28.90 1pm6 h GLU 7 CO -0.08 0.91 0.25 2.35 -1.00 0.00 0.00 179.01 181.44 1pm6 h TRP 8 N 1.04 0.46 -0.06 4.33 7.01 -0.43 0.72 115.95 129.02 1pm6 h TRP 8 Ca 0.23 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.28 1pm6 h TRP 8 Cb 0.27 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 1pm6 h TRP 8 CO 0.02 0.27 -0.29 -0.97 -2.79 0.00 0.00 178.44 174.68 1pm6 h ASN 9 N 0.50 -0.87 -0.66 2.65 -1.24 -1.32 -1.75 115.58 112.89 1pm6 h ASN 9 Ca 0.17 0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.35 1pm6 h ASN 9 Cb 0.02 0.36 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 1pm6 h ASN 9 CO -0.08 -0.34 0.44 0.00 -1.29 0.00 0.00 177.43 176.15 1pm6 h ALA 10 N 0.42 1.66 0.00 1.57 0.00 -1.39 -2.96 119.26 118.56 1pm6 h ALA 10 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pm6 h ALA 10 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pm6 h ALA 10 CO -0.29 0.26 -0.17 -0.09 0.00 0.00 0.00 179.25 178.96 1pm6 h ARG 11 N 0.76 0.00 -6.78 0.00 1.12 -0.63 -3.44 114.38 105.40 1pm6 h ARG 11 Ca 0.27 0.00 -0.53 0.00 -1.11 0.00 0.00 59.98 58.61 1pm6 h ARG 11 Cb 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 29.97 30.15 1pm6 h ARG 11 CO -0.08 0.17 0.80 -0.65 -3.11 0.00 0.00 179.97 177.10 1pm6 s GLN 12 N -3.94 4.21 0.51 0.20 -1.52 -0.68 -4.94 119.66 113.50 1pm6 s GLN 12 Ca -0.01 2.41 0.25 0.00 -1.95 0.00 0.00 55.36 56.05 1pm6 s GLN 12 Cb 0.12 -3.07 1.34 0.00 -0.22 0.00 0.00 33.01 31.18 1pm6 s GLN 12 CO 0.60 -0.49 1.95 -0.09 -0.25 0.00 0.00 175.29 177.01 1pm6 h ARG 13 N 4.77 0.09 -4.10 2.91 2.43 -1.87 -3.28 114.38 115.33 1pm6 h ARG 13 Ca -0.47 -0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.22 1pm6 h ARG 13 Cb 1.22 -0.02 -0.36 0.00 -0.42 0.00 0.00 29.97 30.39 1pm6 h ARG 13 CO 0.77 0.06 -0.79 1.03 -1.51 0.00 0.00 179.97 179.53 1pm6 s ARG 14 N -5.10 1.19 0.82 0.20 0.52 -1.26 -5.18 118.95 110.14 1pm6 s ARG 14 Ca -0.06 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 54.89 1pm6 s ARG 14 Cb 0.21 -1.27 0.09 0.00 0.52 0.00 0.00 34.95 34.49 1pm6 s ARG 14 CO 0.75 -0.20 1.09 -1.25 0.02 0.00 0.00 175.30 175.71 1pm6 s PRO 15 N 1.50 1.85 0.00 3.54 0.04 -1.24 -5.06 135.00 135.63 1pm6 s PRO 15 Ca -0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1pm6 s PRO 15 Cb -0.13 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1pm6 s PRO 15 CO -0.04 -1.87 0.00 0.54 0.04 0.00 0.00 177.00 175.66 1pm6 n ARG 16 N -3.65 0.00 -3.52 4.56 3.00 -1.26 -5.12 116.66 110.67 1pm6 n ARG 16 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.78 1pm6 n ARG 16 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 32.46 32.94 1pm6 n ARG 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pm6 s SER 17 N -0.52 -0.54 0.25 0.55 0.15 -1.26 -5.00 113.70 107.34 1pm6 s SER 17 Ca 0.00 0.48 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 1pm6 s SER 17 Cb 0.00 0.46 0.38 0.00 -1.71 0.00 0.00 66.02 65.16 1pm6 s SER 17 CO 0.00 -0.57 1.85 -0.07 1.20 0.00 0.00 173.24 175.64 1pm6 h LEU 18 N 2.67 0.86 -0.89 3.45 3.38 -1.99 -0.44 115.31 122.35 1pm6 h LEU 18 Ca -0.25 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1pm6 h LEU 18 Cb 1.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1pm6 h LEU 18 CO 0.36 0.53 0.54 -0.33 0.09 0.00 0.00 178.44 179.63 1pm6 h GLU 19 N 0.98 1.21 -0.34 1.13 4.39 -1.99 -1.81 114.58 118.15 1pm6 h GLU 19 Ca 0.40 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1pm6 h GLU 19 Cb 0.24 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1pm6 h GLU 19 CO -0.20 0.84 0.09 1.15 -1.16 0.00 0.00 179.01 179.74 1pm6 h THR 20 N 1.23 1.22 -0.67 1.13 2.02 -1.85 -0.57 112.91 115.41 1pm6 h THR 20 Ca 0.32 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1pm6 h THR 20 Cb -0.06 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1pm6 h THR 20 CO -0.06 0.25 0.42 0.58 0.37 0.00 0.00 175.52 177.08 1pm6 h VAL 21 N 0.40 1.18 -0.68 3.16 2.07 -1.13 -0.35 116.25 120.90 1pm6 h VAL 21 Ca 0.11 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1pm6 h VAL 21 Cb 0.28 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1pm6 h VAL 21 CO -0.00 0.18 0.37 -0.09 0.02 0.00 0.00 177.57 178.06 1pm6 h ARG 22 N 0.91 0.65 -0.85 1.57 9.65 -1.30 -1.70 114.38 123.31 1pm6 h ARG 22 Ca 0.24 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 1pm6 h ARG 22 Cb -0.06 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.31 1pm6 h ARG 22 CO -0.05 0.43 0.54 0.00 2.80 0.00 0.00 179.97 183.69 1pm6 h ARG 23 N 0.67 0.98 -0.97 0.20 2.47 -0.90 -0.42 114.38 116.42 1pm6 h ARG 23 Ca 0.31 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 1pm6 h ARG 23 Cb 0.23 -0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 1pm6 h ARG 23 CO -0.20 0.65 0.64 -1.49 0.56 0.00 0.00 179.97 180.13 1pm6 h TRP 24 N 1.01 1.22 -0.14 3.04 6.55 -0.81 0.41 115.95 127.23 1pm6 h TRP 24 Ca 0.36 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 60.20 1pm6 h TRP 24 Cb 0.10 -0.41 -0.00 0.00 -0.86 0.00 0.00 29.16 27.98 1pm6 h TRP 24 CO -0.03 0.77 -0.02 0.28 -1.05 0.00 0.00 178.44 178.39 1pm6 h VAL 25 N 1.31 1.28 -0.48 1.49 2.07 -1.24 -2.53 116.25 118.16 1pm6 h VAL 25 Ca 0.35 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1pm6 h VAL 25 Cb -0.15 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1pm6 h VAL 25 CO -0.08 0.27 0.26 0.03 0.02 0.00 0.00 177.57 178.08 1pm6 h ARG 26 N -0.02 0.65 0.00 1.57 2.47 -1.04 -1.06 114.38 116.95 1pm6 h ARG 26 Ca 0.04 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1pm6 h ARG 26 Cb 0.43 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1pm6 h ARG 26 CO 0.01 0.48 0.00 0.93 0.56 0.00 0.00 179.97 181.95 1pm6 h GLU 27 N 0.66 0.00 -5.87 0.04 4.39 -0.97 -3.49 114.58 109.35 1pm6 h GLU 27 Ca 0.17 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.49 1pm6 h GLU 27 Cb 0.02 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 28.78 1pm6 h GLU 27 CO -0.03 0.00 -0.78 0.43 -1.16 0.00 0.00 179.01 177.47 1pm6 n SER 28 N -2.55 -2.48 -2.46 1.42 7.64 -0.40 -4.99 113.62 109.79 1pm6 n SER 28 Ca -0.00 -0.69 -0.28 0.00 1.01 0.00 0.00 58.87 58.91 1pm6 n SER 28 Cb 0.15 -4.68 0.01 0.00 -1.01 0.00 0.00 64.21 58.68 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 -4.33 3.40 -3.85 1.43 1.74 -0.98 -4.97 116.66 109.10 1pm6 n ARG 29 Ca -0.23 -4.40 -0.28 0.00 -0.77 0.00 0.00 57.85 52.17 1pm6 n ARG 29 Cb 0.65 -2.25 -0.16 0.00 -1.02 0.00 0.00 32.46 29.67 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 -5.40 0.98 -0.01 0.55 -1.09 -1.26 -1.91 121.20 113.06 1pm6 s ILE 30 Ca 0.49 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1pm6 s ILE 30 Cb 0.40 -1.24 0.01 0.00 -1.58 0.00 0.00 42.46 40.05 1pm6 s ILE 30 CO -0.18 0.03 -0.00 0.12 -1.23 0.00 0.00 174.94 173.68 1pm6 s PHE 31 N 1.68 0.10 0.64 3.97 5.36 0.01 -4.13 117.98 125.61 1pm6 s PHE 31 Ca -0.00 0.01 -0.15 0.00 -0.96 0.00 0.00 56.93 55.82 1pm6 s PHE 31 Cb -0.16 -0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.39 1pm6 s PHE 31 CO -0.07 -0.03 1.10 -1.25 -1.46 0.00 0.00 175.22 173.51 1pm6 s PRO 32 N 0.26 2.94 0.53 10.12 0.04 -1.26 -1.96 135.00 145.67 1pm6 s PRO 32 Ca -0.02 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.16 1pm6 s PRO 32 Cb -0.04 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1pm6 s PRO 32 CO -0.01 -1.13 1.20 -1.25 0.04 0.00 0.00 177.00 175.85 1pm6 s PRO 33 N -4.07 3.32 0.58 0.56 0.04 -1.26 -4.45 135.00 129.72 1pm6 s PRO 33 Ca 0.66 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.37 1pm6 s PRO 33 Cb -0.20 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1pm6 s PRO 33 CO 0.40 -0.93 1.06 -1.25 0.04 0.00 0.00 177.00 176.32 1pm6 s PRO 34 N -3.05 3.35 -0.31 0.56 0.04 -1.26 -4.90 135.00 129.44 1pm6 s PRO 34 Ca 0.71 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 1pm6 s PRO 34 Cb -0.30 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1pm6 s PRO 34 CO 0.35 -0.79 0.85 0.08 0.04 0.00 0.00 177.00 177.53 1pm6 s VAL 35 N -2.36 4.73 -0.46 -0.36 1.01 -0.30 -4.85 120.40 117.81 1pm6 s VAL 35 Ca 0.65 1.31 -0.28 0.00 0.00 0.00 0.00 61.98 63.65 1pm6 s VAL 35 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1pm6 s VAL 35 CO 0.35 -0.30 1.55 -0.75 0.00 0.00 0.00 175.10 175.95 1pm6 s LYS 36 N 3.10 3.33 -0.12 2.72 2.20 -1.26 -0.57 119.74 129.14 1pm6 s LYS 36 Ca 0.35 0.87 -0.28 0.00 -0.36 0.00 0.00 55.97 56.56 1pm6 s LYS 36 Cb -0.14 -4.14 -0.26 0.00 -1.51 0.00 0.00 37.83 31.78 1pm6 s LYS 36 CO 0.13 -1.88 0.82 0.22 -0.36 0.00 0.00 175.35 174.28 1pm6 h ASP 37 N 11.80 0.08 0.00 1.43 3.58 -1.85 -3.49 116.42 127.97 1pm6 h ASP 37 Ca -0.29 -0.96 0.00 0.00 0.42 0.00 0.00 57.03 56.20 1pm6 h ASP 37 Cb 1.12 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1pm6 h ASP 37 CO 1.11 1.03 0.00 0.61 -2.88 0.00 0.00 179.24 179.12 1pm6 n GLY 38 N 1.54 -2.13 0.11 -0.78 0.00 -1.26 -4.96 105.19 97.71 1pm6 n GLY 38 Ca -0.10 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 -4.67 1.61 1.12 -2.02 -3.47 114.38 106.95 1pm6 h ARG 39 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.63 1pm6 h ARG 39 Cb 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 29.81 1pm6 h ARG 39 CO 0.00 0.70 -0.67 -1.21 -3.11 0.00 0.00 179.97 175.69 1pm6 s GLU 40 N -2.94 0.99 -0.09 0.20 0.41 -1.26 -5.16 118.70 110.85 1pm6 s GLU 40 Ca 0.02 -1.45 -0.17 0.00 -0.41 0.00 0.00 54.97 52.95 1pm6 s GLU 40 Cb 0.09 -0.13 -0.05 0.00 -1.78 0.00 0.00 34.13 32.26 1pm6 s GLU 40 CO 0.77 -0.13 0.46 0.71 -0.49 0.00 0.00 175.26 176.58 1pm6 s TYR 41 N -3.74 3.57 -0.60 1.61 1.51 -1.26 -2.48 117.35 115.96 1pm6 s TYR 41 Ca 0.20 0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 56.94 1pm6 s TYR 41 Cb 0.06 -2.48 0.06 0.00 -0.11 0.00 0.00 41.96 39.48 1pm6 s TYR 41 CO 0.01 0.29 0.93 -0.51 -1.11 0.00 0.00 175.55 175.16 1pm6 s LEU 42 N 0.19 4.28 -0.10 -1.29 1.43 0.26 -2.95 118.68 120.50 1pm6 s LEU 42 Ca 0.25 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1pm6 s LEU 42 Cb -0.15 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1pm6 s LEU 42 CO 0.11 -1.31 0.79 -0.36 0.23 0.00 0.00 176.35 175.81 1pm6 s PHE 43 N 3.93 3.52 0.54 0.29 0.40 -0.15 -1.15 117.98 125.37 1pm6 s PHE 43 Ca 0.25 1.31 -0.17 0.00 -0.60 0.00 0.00 56.93 57.72 1pm6 s PHE 43 Cb -0.15 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1pm6 s PHE 43 CO 0.14 -0.06 1.02 -1.58 0.70 0.00 0.00 175.22 175.44 1pm6 s HIS 44 N 1.39 3.20 0.31 0.36 2.46 -1.26 -0.70 115.29 121.05 1pm6 s HIS 44 Ca 0.40 1.50 0.08 0.00 0.47 0.00 0.00 55.06 57.51 1pm6 s HIS 44 Cb -0.18 -2.91 0.84 0.00 -0.13 0.00 0.00 32.58 30.20 1pm6 s HIS 44 CO 0.17 -0.72 1.71 0.93 -2.47 0.00 0.00 174.74 174.36 1pm6 h GLU 45 N 0.83 0.46 0.00 2.88 4.39 -1.79 -1.59 114.58 119.77 1pm6 h GLU 45 Ca -0.47 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 1pm6 h GLU 45 Cb 1.20 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1pm6 h GLU 45 CO 0.59 0.31 -0.01 0.77 -1.16 0.00 0.00 179.01 179.51 1pm6 h SER 46 N 0.48 0.00 -2.24 1.42 0.02 -1.94 -3.45 113.55 107.83 1pm6 h SER 46 Ca 0.62 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 61.04 1pm6 h SER 46 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1pm6 h SER 46 CO -0.51 0.01 1.34 0.00 -1.14 0.00 0.00 176.83 176.53 1pm6 s ALA 47 N -3.57 2.42 0.20 3.77 0.00 -0.60 -4.25 121.76 119.73 1pm6 s ALA 47 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1pm6 s ALA 47 Cb 0.08 -4.19 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 1pm6 s ALA 47 CO 0.57 -3.42 -0.02 0.14 0.00 0.00 0.00 175.76 173.04 1pm6 s VAL 48 N 8.42 0.97 -0.20 0.00 -7.23 -0.83 -4.86 120.40 116.67 1pm6 s VAL 48 Ca 0.75 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 1pm6 s VAL 48 Cb -0.17 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1pm6 s VAL 48 CO 0.27 -0.44 1.40 -0.54 -0.31 0.00 0.00 175.10 175.48 1pm6 s LYS 49 N -3.86 4.04 0.12 4.82 1.02 -1.26 -0.81 119.74 123.81 1pm6 s LYS 49 Ca 0.25 1.61 -0.30 0.00 0.02 0.00 0.00 55.97 57.55 1pm6 s LYS 49 Cb 0.05 -3.89 -0.06 0.00 -0.52 0.00 0.00 37.83 33.41 1pm6 s LYS 49 CO 0.06 -0.98 0.96 0.54 -0.92 0.00 0.00 175.35 175.02 1pm6 s VAL 50 N 4.21 4.46 -0.57 3.17 0.11 -0.80 -4.94 120.40 126.03 1pm6 s VAL 50 Ca 0.61 2.07 -0.28 0.00 -2.93 0.00 0.00 61.98 61.45 1pm6 s VAL 50 Cb -0.22 -4.32 0.03 0.00 -1.53 0.00 0.00 36.38 30.33 1pm6 s VAL 50 CO 0.22 0.33 1.24 -0.62 -3.33 0.00 0.00 175.10 172.94 1pm6 s ASP 51 N -0.09 6.39 0.06 3.54 2.15 -1.26 -4.84 116.67 122.63 1pm6 s ASP 51 Ca 0.47 0.15 -0.02 0.00 0.43 0.00 0.00 52.55 53.58 1pm6 s ASP 51 Cb -0.24 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1pm6 s ASP 51 CO 0.30 -1.52 -0.03 -0.11 -0.17 0.00 0.00 175.17 173.64 1pm6 n LEU 52 N 8.64 1.01 -4.62 -1.34 7.94 -1.26 -5.01 117.00 122.36 1pm6 n LEU 52 Ca 0.09 0.13 -0.40 0.00 -1.11 0.00 0.00 56.01 54.73 1pm6 n LEU 52 Cb 0.49 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 1pm6 n LEU 52 CO 0.71 -0.67 0.20 0.21 -1.11 0.00 0.00 177.39 176.73 1pm6 s ASN 53 N -5.81 6.40 0.32 1.96 2.47 -1.26 -5.10 114.94 113.91 1pm6 s ASN 53 Ca -0.03 0.48 -0.09 0.00 0.42 0.00 0.00 52.86 53.65 1pm6 s ASN 53 Cb 0.00 -2.26 -0.06 0.00 -1.45 0.00 0.00 41.25 37.48 1pm6 s ASN 53 CO 0.04 -0.24 0.64 -0.13 -3.72 0.00 0.00 177.10 173.69 1pm6 s ARG 54 N 2.15 3.75 0.63 0.43 0.52 -1.26 -5.10 118.95 120.07 1pm6 s ARG 54 Ca 0.20 0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 55.53 1pm6 s ARG 54 Cb -0.16 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1pm6 s ARG 54 CO 0.09 0.14 1.09 -1.25 0.02 0.00 0.00 175.30 175.40 1pm6 s PRO 55 N -3.46 3.03 -0.07 3.54 0.04 -1.26 -5.02 135.00 131.80 1pm6 s PRO 55 Ca 0.48 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1pm6 s PRO 55 Cb -0.11 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1pm6 s PRO 55 CO 0.27 -1.06 1.04 0.14 0.04 0.00 0.00 177.00 177.43 1pm6 s VAL 56 N -2.36 4.69 -0.21 -0.36 -7.23 -1.26 -5.05 120.40 108.62 1pm6 s VAL 56 Ca 0.66 1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 62.69 1pm6 s VAL 56 Cb -0.19 -4.26 -0.05 0.00 0.56 0.00 0.00 36.38 32.45 1pm6 s VAL 56 CO 0.39 0.04 0.12 0.42 -0.31 0.00 0.00 175.10 175.76 1pm6 s THR 57 N 1.82 5.25 0.00 5.32 -4.23 -1.26 -5.12 115.64 117.42 1pm6 s THR 57 Ca 0.51 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1pm6 s THR 57 Cb -0.20 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1pm6 s THR 57 CO 0.21 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1pm6 n GLY 58 N 3.72 0.47 3.64 3.99 0.00 -1.26 -5.14 105.19 110.60 1pm6 n GLY 58 Ca -0.16 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1pm6 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pm6 s SER 59 N -1.10 -0.70 0.19 1.61 0.01 -1.26 -5.18 113.70 107.27 1pm6 s SER 59 Ca 0.00 1.27 -0.01 0.00 1.31 0.00 0.00 55.95 58.51 1pm6 s SER 59 Cb 0.00 1.29 -0.04 0.00 0.21 0.00 0.00 66.02 67.47 1pm6 s SER 59 CO 0.00 -0.21 0.38 -0.76 0.41 0.00 0.00 173.24 173.06 1pm6 s LEU 60 N 0.71 4.24 -0.01 2.44 1.43 -1.26 -5.13 118.68 121.09 1pm6 s LEU 60 Ca -0.02 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1pm6 s LEU 60 Cb -0.05 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 43.00 1pm6 s LEU 60 CO -0.07 -0.03 -0.02 -1.48 0.23 0.00 0.00 176.35 174.99 1pm6 s LEU 61 N -3.23 1.75 -0.18 1.79 0.05 -1.26 -5.15 118.68 112.45 1pm6 s LEU 61 Ca 0.39 -0.04 -0.22 0.00 0.05 0.00 0.00 54.13 54.31 1pm6 s LEU 61 Cb -0.11 -0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 43.84 1pm6 s LEU 61 CO 0.29 -0.01 0.66 -0.75 -0.55 0.00 0.00 176.35 175.99 1pm6 s LYS 62 N 0.27 4.25 0.55 1.48 2.20 -1.26 -5.09 119.74 122.13 1pm6 s LYS 62 Ca -0.02 0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1pm6 s LYS 62 Cb -0.05 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1pm6 s LYS 62 CO -0.01 -0.21 0.91 -0.98 -0.36 0.00 0.00 175.35 174.70 1pm6 s ARG 63 N 1.80 3.58 0.12 4.03 1.70 -1.26 -5.13 118.95 123.78 1pm6 s ARG 63 Ca 0.31 0.48 0.06 0.00 -0.47 0.00 0.00 55.73 56.11 1pm6 s ARG 63 Cb -0.16 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 31.96 1pm6 s ARG 63 CO 0.11 -0.38 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.30 1pm6 s ILE 64 N -2.95 1.38 -0.24 4.99 2.07 -1.26 -5.15 121.20 120.04 1pm6 s ILE 64 Ca 0.51 -1.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.11 1pm6 s ILE 64 Cb -0.11 -1.49 0.06 0.00 0.13 0.00 0.00 42.46 41.06 1pm6 s ILE 64 CO 0.49 -0.34 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.53 1pm6 s ARG 65 N -2.45 1.68 0.07 3.50 6.06 -1.26 -5.13 118.95 121.42 1pm6 s ARG 65 Ca 0.08 -1.07 -0.20 0.00 -2.50 0.00 0.00 55.73 52.03 1pm6 s ARG 65 Cb -0.06 -2.64 -0.07 0.00 0.06 0.00 0.00 34.95 32.24 1pm6 s ARG 65 CO 0.03 -0.62 0.58 -0.80 -2.50 0.00 0.00 175.30 172.00 1pm6 s ASN 66 N 1.34 7.07 0.22 -2.12 -0.87 -1.26 -5.11 114.94 114.21 1pm6 s ASN 66 Ca -0.05 1.27 0.04 0.00 -1.57 0.00 0.00 52.86 52.55 1pm6 s ASN 66 Cb -0.19 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1pm6 s ASN 66 CO -0.06 0.25 0.33 -0.83 -2.57 0.00 0.00 177.10 174.21 1pm6 s GLY 67 N -1.01 1.36 -0.04 0.66 0.00 -1.26 -5.14 107.32 101.90 1pm6 s GLY 67 Ca 0.29 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1pm6 s GLY 67 CO 0.19 -1.21 0.05 1.25 0.00 0.00 0.00 173.10 173.39 1pm6 s LYS 68 N -3.77 -0.04 -0.06 2.90 2.36 -1.26 -5.16 119.74 114.71 1pm6 s LYS 68 Ca 0.34 0.33 -0.04 0.00 -2.55 0.00 0.00 55.97 54.05 1pm6 s LYS 68 Cb -0.09 -0.48 -0.04 0.00 -1.05 0.00 0.00 37.83 36.17 1pm6 s LYS 68 CO 0.29 -0.29 0.12 -1.59 1.55 0.00 0.00 175.35 175.42 1pm6 s LYS 69 N 1.93 3.31 0.05 4.03 -2.85 -1.26 -5.13 119.74 119.82 1pm6 s LYS 69 Ca 0.02 -0.28 0.04 0.00 -1.00 0.00 0.00 55.97 54.75 1pm6 s LYS 69 Cb -0.12 -3.05 -0.02 0.00 -2.06 0.00 0.00 37.83 32.57 1pm6 s LYS 69 CO -0.03 0.72 -0.12 0.00 0.10 0.00 0.00 175.35 176.02 1pm6 s ALA 70 N -1.12 0.95 -0.01 0.59 0.00 -1.26 -5.15 121.76 115.76 1pm6 s ALA 70 Ca 0.20 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1pm6 s ALA 70 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1pm6 s ALA 70 CO 0.10 0.12 0.93 0.21 0.00 0.00 0.00 175.76 177.12 1pm6 s LYS 71 N -1.45 4.54 0.00 0.00 2.36 -1.26 -5.39 119.74 118.55 1pm6 s LYS 71 Ca -0.03 1.32 0.24 0.00 -2.55 0.00 0.00 55.97 54.95 1pm6 s LYS 71 Cb -0.09 -3.45 1.45 0.00 -1.05 0.00 0.00 37.83 34.69 1pm6 s LYS 71 CO 0.01 -0.02 1.81 -1.13 1.55 0.00 0.00 175.35 177.58