#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 2.21 -0.05 2.03 2.02 -1.26 -3.84 117.35 118.46 1pm6 s TYR 2 Ca 0.00 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.35 1pm6 s TYR 2 Cb 0.00 -1.25 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1pm6 s TYR 2 CO 0.00 0.23 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.86 1pm6 s LEU 3 N -1.67 1.92 0.55 -1.29 2.96 0.48 -4.95 118.68 116.67 1pm6 s LEU 3 Ca 0.12 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.45 1pm6 s LEU 3 Cb -0.10 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 1pm6 s LEU 3 CO 0.04 0.16 1.24 0.41 -1.32 0.00 0.00 176.35 176.87 1pm6 n THR 4 N 3.16 3.70 -0.23 3.68 -1.04 -1.26 -0.55 114.28 121.75 1pm6 n THR 4 Ca -0.18 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.31 1pm6 n THR 4 Cb 0.53 -1.50 0.05 0.00 -1.82 0.00 0.00 70.33 67.59 1pm6 n THR 4 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pm6 h LEU 5 N 1.22 -0.89 -0.83 -4.42 6.46 -1.87 0.18 115.31 115.15 1pm6 h LEU 5 Ca -0.50 0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1pm6 h LEU 5 Cb 1.32 0.50 -0.04 0.00 -0.73 0.00 0.00 40.66 41.72 1pm6 h LEU 5 CO 0.56 -0.27 0.42 1.56 -0.62 0.00 0.00 178.44 180.09 1pm6 h GLN 6 N -0.07 1.18 -0.37 1.25 7.50 -1.92 -0.98 115.11 121.69 1pm6 h GLN 6 Ca 0.30 -0.16 -0.09 0.00 0.50 0.00 0.00 58.65 59.19 1pm6 h GLN 6 Cb 0.54 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 1pm6 h GLN 6 CO -0.72 0.89 -0.15 0.93 -1.50 0.00 0.00 178.83 178.28 1pm6 h GLU 7 N 1.17 0.68 0.16 1.46 5.08 -1.78 -1.70 114.58 119.63 1pm6 h GLU 7 Ca 0.29 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pm6 h GLU 7 Cb 0.08 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pm6 h GLU 7 CO -0.04 0.80 -0.10 2.35 -1.00 0.00 0.00 179.01 181.01 1pm6 h TRP 8 N 0.61 -0.27 -0.64 4.33 7.01 -0.51 -1.12 115.95 125.35 1pm6 h TRP 8 Ca 0.10 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.23 1pm6 h TRP 8 Cb 0.61 0.10 -0.10 0.00 -2.10 0.00 0.00 29.16 27.67 1pm6 h TRP 8 CO 0.03 -0.17 0.13 -0.97 -2.79 0.00 0.00 178.44 174.67 1pm6 h ASN 9 N -0.26 -0.03 -0.69 2.65 -1.24 -1.19 -1.43 115.58 113.40 1pm6 h ASN 9 Ca -0.01 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1pm6 h ASN 9 Cb 0.22 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 1pm6 h ASN 9 CO 0.01 -0.02 0.33 0.00 -1.29 0.00 0.00 177.43 176.46 1pm6 h ALA 10 N 1.53 1.25 0.00 1.57 0.00 -1.30 -3.23 119.26 119.07 1pm6 h ALA 10 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1pm6 h ALA 10 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pm6 h ALA 10 CO -0.45 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.18 1pm6 h ARG 11 N 1.01 0.00 -7.32 0.00 3.08 -0.83 -3.38 114.38 106.93 1pm6 h ARG 11 Ca 0.24 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.88 1pm6 h ARG 11 Cb 0.12 0.00 0.19 0.00 0.08 0.00 0.00 29.97 30.36 1pm6 h ARG 11 CO -0.03 0.19 0.09 -0.65 -1.07 0.00 0.00 179.97 178.50 1pm6 s GLN 12 N -3.60 -1.34 -0.63 0.04 -1.52 -0.57 -4.91 119.66 107.14 1pm6 s GLN 12 Ca 0.01 0.07 -0.27 0.00 -1.95 0.00 0.00 55.36 53.22 1pm6 s GLN 12 Cb 0.10 -1.57 -0.02 0.00 -0.22 0.00 0.00 33.01 31.30 1pm6 s GLN 12 CO 0.63 -3.81 1.80 0.50 -0.25 0.00 0.00 175.29 174.16 1pm6 s ARG 13 N -5.26 2.68 0.27 2.91 6.06 -1.26 -4.36 118.95 119.99 1pm6 s ARG 13 Ca 0.70 0.51 0.00 0.00 -2.50 0.00 0.00 55.73 54.44 1pm6 s ARG 13 Cb -0.12 -4.37 0.00 0.00 0.06 0.00 0.00 34.95 30.52 1pm6 s ARG 13 CO 0.57 -2.68 0.00 0.54 -2.50 0.00 0.00 175.30 171.23 1pm6 n ARG 14 N 9.21 -2.01 -1.93 5.12 1.74 -1.26 -4.76 116.66 122.76 1pm6 n ARG 14 Ca 0.19 1.54 -0.29 0.00 -0.77 0.00 0.00 57.85 58.52 1pm6 n ARG 14 Cb 0.52 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1pm6 n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pm6 s PRO 15 N -4.73 2.39 1.01 5.56 0.04 -1.26 -4.77 135.00 133.25 1pm6 s PRO 15 Ca 0.00 0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.17 1pm6 s PRO 15 Cb 0.00 -4.78 0.19 0.00 0.04 0.00 0.00 34.50 29.96 1pm6 s PRO 15 CO 0.00 -3.33 1.09 1.03 0.04 0.00 0.00 177.00 175.83 1pm6 s ARG 16 N 7.41 0.34 0.13 4.56 1.81 -1.25 -4.98 118.95 126.97 1pm6 s ARG 16 Ca 0.75 0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 55.00 1pm6 s ARG 16 Cb -0.10 -1.72 -0.07 0.00 -0.45 0.00 0.00 34.95 32.60 1pm6 s ARG 16 CO 0.09 -2.80 1.18 0.45 -0.68 0.00 0.00 175.30 173.55 1pm6 s SER 17 N -3.40 7.12 0.52 0.23 0.15 -1.26 -4.92 113.70 112.14 1pm6 s SER 17 Ca 0.65 2.11 0.22 0.00 0.70 0.00 0.00 55.95 59.63 1pm6 s SER 17 Cb -0.19 -2.59 1.34 0.00 -1.71 0.00 0.00 66.02 62.87 1pm6 s SER 17 CO 0.58 -0.39 2.04 -0.07 1.20 0.00 0.00 173.24 176.60 1pm6 h LEU 18 N 5.94 0.02 -2.02 3.45 3.38 -2.00 0.17 115.31 124.26 1pm6 h LEU 18 Ca -0.43 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.65 1pm6 h LEU 18 Cb 1.21 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1pm6 h LEU 18 CO 0.77 0.01 0.29 1.05 0.09 0.00 0.00 178.44 180.66 1pm6 h GLU 19 N 0.02 0.00 -0.03 1.13 -0.00 -1.98 -0.55 114.58 113.18 1pm6 h GLU 19 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.52 1pm6 h GLU 19 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.47 1pm6 h GLU 19 CO -0.01 0.00 -0.07 1.15 -0.00 0.00 0.00 179.01 180.08 1pm6 h THR 20 N 0.00 1.47 -0.78 -1.06 2.02 -1.35 -1.16 112.91 112.06 1pm6 h THR 20 Ca 0.19 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1pm6 h THR 20 Cb 0.77 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.55 1pm6 h THR 20 CO -0.00 0.40 0.48 0.58 0.37 0.00 0.00 175.52 177.35 1pm6 h VAL 21 N -0.48 1.21 -0.82 3.16 2.07 -1.57 -0.43 116.25 119.40 1pm6 h VAL 21 Ca -0.00 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1pm6 h VAL 21 Cb 0.69 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1pm6 h VAL 21 CO 0.02 0.22 0.51 -0.09 0.02 0.00 0.00 177.57 178.24 1pm6 h ARG 22 N 1.06 1.11 -0.67 1.57 1.12 -1.19 -1.05 114.38 116.33 1pm6 h ARG 22 Ca 0.28 -0.09 0.04 0.00 -1.11 0.00 0.00 59.98 59.10 1pm6 h ARG 22 Cb -0.06 -0.24 -0.05 0.00 -0.01 0.00 0.00 29.97 29.61 1pm6 h ARG 22 CO -0.05 0.77 0.40 0.00 -3.11 0.00 0.00 179.97 177.98 1pm6 h ARG 23 N 1.13 0.74 -0.95 0.20 3.08 -1.06 -0.35 114.38 117.17 1pm6 h ARG 23 Ca 0.30 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.39 1pm6 h ARG 23 Cb -0.06 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.75 1pm6 h ARG 23 CO -0.06 0.49 0.61 -1.49 -1.07 0.00 0.00 179.97 178.46 1pm6 h TRP 24 N 0.77 1.08 -0.00 3.04 6.55 -0.79 0.19 115.95 126.79 1pm6 h TRP 24 Ca 0.28 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.15 1pm6 h TRP 24 Cb 0.08 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 28.03 1pm6 h TRP 24 CO -0.06 0.51 0.00 0.28 -1.05 0.00 0.00 178.44 178.12 1pm6 h VAL 25 N 1.01 1.23 -0.77 1.49 2.07 -1.09 0.15 116.25 120.34 1pm6 h VAL 25 Ca 0.44 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1pm6 h VAL 25 Cb 0.34 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1pm6 h VAL 25 CO -0.19 0.18 0.39 0.03 0.02 0.00 0.00 177.57 177.99 1pm6 h ARG 26 N -0.28 0.61 -0.17 1.57 2.47 -0.84 -2.39 114.38 115.34 1pm6 h ARG 26 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pm6 h ARG 26 Cb 0.29 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1pm6 h ARG 26 CO 0.00 0.40 0.00 0.39 0.56 0.00 0.00 179.97 181.32 1pm6 n GLU 27 N -4.86 1.43 -3.85 0.04 4.71 0.04 -4.99 120.64 113.17 1pm6 n GLU 27 Ca 0.13 -0.66 -0.25 0.00 -0.01 0.00 0.00 57.16 56.37 1pm6 n GLU 27 Cb 0.33 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pm6 n SER 28 N 0.02 -1.38 -2.05 1.62 7.64 -0.90 -4.96 113.62 113.59 1pm6 n SER 28 Ca 0.08 -0.97 -0.26 0.00 1.01 0.00 0.00 58.87 58.73 1pm6 n SER 28 Cb 0.17 -3.34 0.10 0.00 -1.01 0.00 0.00 64.21 60.13 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 2.72 -4.01 1.43 1.74 0.49 -4.95 116.66 109.75 1pm6 n ARG 29 Ca -0.27 -3.45 -0.20 0.00 -0.77 0.00 0.00 57.85 53.15 1pm6 n ARG 29 Cb 0.67 -2.20 -0.17 0.00 -1.02 0.00 0.00 32.46 29.75 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 -4.31 0.42 -0.09 0.55 -1.09 -1.26 -1.22 121.20 114.20 1pm6 s ILE 30 Ca 0.57 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1pm6 s ILE 30 Cb 0.47 -0.50 0.03 0.00 -1.58 0.00 0.00 42.46 40.88 1pm6 s ILE 30 CO 0.02 0.22 0.22 0.12 -1.23 0.00 0.00 174.94 174.29 1pm6 s PHE 31 N 1.22 -0.27 0.74 3.97 5.36 -0.24 -4.34 117.98 124.42 1pm6 s PHE 31 Ca -0.06 0.67 -0.12 0.00 -0.96 0.00 0.00 56.93 56.46 1pm6 s PHE 31 Cb -0.14 0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.63 1pm6 s PHE 31 CO -0.02 -0.18 1.10 -1.25 -1.46 0.00 0.00 175.22 173.41 1pm6 s PRO 32 N 0.77 2.42 0.54 10.12 0.04 -1.26 -1.63 135.00 146.01 1pm6 s PRO 32 Ca -0.05 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 1pm6 s PRO 32 Cb -0.07 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1pm6 s PRO 32 CO -0.05 -1.52 1.11 -1.25 0.04 0.00 0.00 177.00 175.33 1pm6 s PRO 33 N -4.69 3.42 0.54 0.56 0.04 -1.26 -4.69 135.00 128.92 1pm6 s PRO 33 Ca 0.63 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1pm6 s PRO 33 Cb -0.18 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1pm6 s PRO 33 CO 0.52 -0.78 1.01 -1.25 0.04 0.00 0.00 177.00 176.54 1pm6 s PRO 34 N -3.32 3.77 -0.20 0.56 0.04 -1.26 -4.90 135.00 129.69 1pm6 s PRO 34 Ca 0.71 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 1pm6 s PRO 34 Cb -0.22 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1pm6 s PRO 34 CO 0.26 -0.43 0.55 0.54 0.04 0.00 0.00 177.00 177.97 1pm6 s VAL 35 N -2.56 5.08 -0.44 -0.36 0.11 -0.42 -4.82 120.40 116.99 1pm6 s VAL 35 Ca 0.60 1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 60.39 1pm6 s VAL 35 Cb -0.12 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 1pm6 s VAL 35 CO 0.32 0.15 1.26 -0.75 -3.33 0.00 0.00 175.10 172.76 1pm6 s LYS 36 N 1.74 3.66 0.00 1.54 2.20 -1.26 -0.64 119.74 126.98 1pm6 s LYS 36 Ca 0.25 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1pm6 s LYS 36 Cb -0.16 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1pm6 s LYS 36 CO 0.10 -1.46 0.00 -3.47 -0.36 0.00 0.00 175.35 170.16 1pm6 n ASP 37 N 8.28 0.00 -2.95 1.43 -0.08 -0.91 -4.95 116.55 117.36 1pm6 n ASP 37 Ca 0.14 0.22 -0.11 0.00 -1.51 0.00 0.00 54.79 53.53 1pm6 n ASP 37 Cb 0.48 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.48 1pm6 n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pm6 n GLY 38 N 1.83 0.32 2.69 0.27 0.00 -1.26 -4.91 105.19 104.14 1pm6 n GLY 38 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1pm6 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pm6 n ARG 39 N 2.82 -1.53 -3.86 1.61 0.63 -1.26 -5.01 116.66 110.06 1pm6 n ARG 39 Ca 0.21 0.92 -0.20 0.00 -0.92 0.00 0.00 57.85 57.86 1pm6 n ARG 39 Cb 0.54 -5.26 -0.17 0.00 0.45 0.00 0.00 32.46 28.02 1pm6 n ARG 39 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1pm6 s GLU 40 N -2.98 0.40 -0.14 -0.14 2.12 -1.26 -5.14 118.70 111.57 1pm6 s GLU 40 Ca 0.00 0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.16 1pm6 s GLU 40 Cb 0.00 -0.69 -0.01 0.00 0.26 0.00 0.00 34.13 33.69 1pm6 s GLU 40 CO 0.00 -0.22 0.98 0.71 -0.54 0.00 0.00 175.26 176.20 1pm6 s TYR 41 N 1.52 3.47 -0.49 5.30 2.02 -1.26 -2.13 117.35 125.77 1pm6 s TYR 41 Ca -0.03 1.52 -0.21 0.00 -0.37 0.00 0.00 57.07 57.99 1pm6 s TYR 41 Cb -0.13 -3.17 0.04 0.00 -0.40 0.00 0.00 41.96 38.30 1pm6 s TYR 41 CO -0.03 -0.27 0.69 -0.51 -1.57 0.00 0.00 175.55 173.87 1pm6 s LEU 42 N 2.21 4.64 -0.10 -1.29 1.43 0.19 -2.63 118.68 123.13 1pm6 s LEU 42 Ca 0.46 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1pm6 s LEU 42 Cb -0.17 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1pm6 s LEU 42 CO 0.15 -0.91 0.79 -0.36 0.23 0.00 0.00 176.35 176.24 1pm6 s PHE 43 N 2.94 3.52 0.50 0.29 0.40 0.28 -1.31 117.98 124.61 1pm6 s PHE 43 Ca 0.21 1.30 -0.22 0.00 -0.60 0.00 0.00 56.93 57.61 1pm6 s PHE 43 Cb -0.16 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.38 1pm6 s PHE 43 CO 0.16 -0.07 1.23 -1.58 0.70 0.00 0.00 175.22 175.66 1pm6 s HIS 44 N 1.42 2.64 0.63 0.36 2.46 -1.26 -0.39 115.29 121.15 1pm6 s HIS 44 Ca 0.39 1.48 0.34 0.00 0.47 0.00 0.00 55.06 57.74 1pm6 s HIS 44 Cb -0.18 -3.52 1.89 0.00 -0.13 0.00 0.00 32.58 30.64 1pm6 s HIS 44 CO 0.17 -2.01 2.14 0.93 -2.47 0.00 0.00 174.74 173.49 1pm6 h GLU 45 N 1.74 0.00 0.00 2.88 5.08 -1.93 0.04 114.58 122.39 1pm6 h GLU 45 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1pm6 h GLU 45 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1pm6 h GLU 45 CO 0.59 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 179.05 1pm6 n SER 46 N -3.34 0.00 -4.66 1.42 2.88 -1.26 -4.88 113.62 103.78 1pm6 n SER 46 Ca -0.01 0.08 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 1pm6 n SER 46 Cb 0.26 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.36 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 -2.68 3.65 0.11 -1.46 0.00 -0.00 -4.40 121.76 116.97 1pm6 s ALA 47 Ca 0.21 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1pm6 s ALA 47 Cb 0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1pm6 s ALA 47 CO 0.40 -1.22 -0.20 0.14 0.00 0.00 0.00 175.76 174.89 1pm6 s VAL 48 N 3.59 1.68 -0.51 0.00 -7.23 -0.64 -4.92 120.40 112.36 1pm6 s VAL 48 Ca 0.60 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.90 1pm6 s VAL 48 Cb -0.25 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1pm6 s VAL 48 CO 0.19 -0.12 1.40 -1.59 -0.31 0.00 0.00 175.10 174.67 1pm6 s LYS 49 N -2.05 3.40 -0.62 4.82 0.00 -1.26 -1.08 119.74 122.94 1pm6 s LYS 49 Ca 0.07 0.60 -0.23 0.00 0.00 0.00 0.00 55.97 56.41 1pm6 s LYS 49 Cb -0.09 -4.09 0.06 0.00 0.00 0.00 0.00 37.83 33.71 1pm6 s LYS 49 CO 0.04 -1.81 0.96 0.54 0.00 0.00 0.00 175.35 175.08 1pm6 s VAL 50 N 5.82 4.34 -0.13 1.79 0.11 -0.36 -4.95 120.40 127.03 1pm6 s VAL 50 Ca 0.55 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 1pm6 s VAL 50 Cb -0.11 -4.63 -0.02 0.00 -1.53 0.00 0.00 36.38 30.08 1pm6 s VAL 50 CO 0.28 -1.34 -0.08 1.51 -3.33 0.00 0.00 175.10 172.13 1pm6 s ASP 51 N 3.37 4.44 -0.10 3.54 -4.77 -1.26 -4.70 116.67 117.20 1pm6 s ASP 51 Ca 0.25 -0.19 -0.25 0.00 -3.30 0.00 0.00 52.55 49.06 1pm6 s ASP 51 Cb -0.15 -1.58 -0.03 0.00 -1.09 0.00 0.00 42.92 40.07 1pm6 s ASP 51 CO 0.13 0.20 0.78 -1.48 0.70 0.00 0.00 175.17 175.50 1pm6 s LEU 52 N 0.13 4.27 -0.08 2.11 0.05 -1.26 -5.05 118.68 118.86 1pm6 s LEU 52 Ca -0.04 1.23 -0.30 0.00 0.05 0.00 0.00 54.13 55.07 1pm6 s LEU 52 Cb -0.14 -3.19 -0.04 0.00 -2.05 0.00 0.00 46.19 40.77 1pm6 s LEU 52 CO 0.04 -0.24 1.38 0.20 -0.55 0.00 0.00 176.35 177.18 1pm6 s ASN 53 N 0.97 6.87 -0.18 1.48 -0.87 -1.26 -5.02 114.94 116.93 1pm6 s ASN 53 Ca 0.39 1.95 -0.29 0.00 -1.57 0.00 0.00 52.86 53.34 1pm6 s ASN 53 Cb -0.18 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.25 38.50 1pm6 s ASN 53 CO 0.17 -0.76 1.21 -0.60 -2.57 0.00 0.00 177.10 174.55 1pm6 s ARG 54 N 3.13 4.23 0.00 -0.60 6.06 -1.26 -5.00 118.95 125.52 1pm6 s ARG 54 Ca 0.61 1.58 -0.25 0.00 -2.50 0.00 0.00 55.73 55.17 1pm6 s ARG 54 Cb -0.27 -3.74 -0.19 0.00 0.06 0.00 0.00 34.95 30.81 1pm6 s ARG 54 CO 0.22 -0.70 1.35 -1.00 -2.50 0.00 0.00 175.30 172.68 1pm6 h PRO 55 N 8.03 0.03 -4.85 5.12 0.13 -2.07 -3.49 132.00 134.90 1pm6 h PRO 55 Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1pm6 h PRO 55 Cb 1.09 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pm6 h PRO 55 CO 0.97 0.43 -0.41 0.28 -0.23 0.00 0.00 178.00 179.05 1pm6 n VAL 56 N -4.87 -9.42 -2.53 1.56 0.31 -1.26 -4.96 118.33 97.16 1pm6 n VAL 56 Ca -0.08 0.74 -0.42 0.00 -0.01 0.00 0.00 64.34 64.57 1pm6 n VAL 56 Cb 0.22 -6.69 -0.03 0.00 -0.91 0.00 0.00 33.84 26.44 1pm6 n VAL 56 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1pm6 s THR 57 N -2.29 4.42 -0.34 2.52 -1.32 -1.26 -5.03 115.64 112.34 1pm6 s THR 57 Ca 0.20 1.73 -0.01 0.00 -1.21 0.00 0.00 61.69 62.40 1pm6 s THR 57 Cb -0.06 -4.11 0.11 0.00 -1.51 0.00 0.00 72.50 66.94 1pm6 s THR 57 CO 0.62 0.01 0.15 -0.83 -2.21 0.00 0.00 174.62 172.37 1pm6 s GLY 58 N 1.33 1.02 -0.16 6.08 0.00 -1.26 -5.11 107.32 109.21 1pm6 s GLY 58 Ca 0.54 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 1pm6 s GLY 58 CO 0.21 1.79 0.03 -1.35 0.00 0.00 0.00 173.10 173.78 1pm6 s SER 59 N 1.37 2.55 0.00 1.64 1.04 -1.26 -5.15 113.70 113.89 1pm6 s SER 59 Ca 0.13 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1pm6 s SER 59 Cb -0.20 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 1pm6 s SER 59 CO -0.18 -0.28 -0.06 -1.48 0.98 0.00 0.00 173.24 172.22 1pm6 s LEU 60 N 1.90 3.19 -0.03 2.42 2.34 -1.26 -5.14 118.68 122.09 1pm6 s LEU 60 Ca 0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 54.13 54.06 1pm6 s LEU 60 Cb -0.16 -1.82 0.03 0.00 -0.56 0.00 0.00 46.19 43.68 1pm6 s LEU 60 CO -0.07 0.29 0.01 -0.22 -1.06 0.00 0.00 176.35 175.29 1pm6 s LEU 61 N -1.40 0.98 -0.13 1.48 2.96 -1.26 -5.15 118.68 116.16 1pm6 s LEU 61 Ca 0.17 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1pm6 s LEU 61 Cb -0.11 -0.21 0.07 0.00 0.50 0.00 0.00 46.19 46.44 1pm6 s LEU 61 CO 0.07 -0.13 0.21 -0.75 -1.32 0.00 0.00 176.35 174.43 1pm6 s LYS 62 N 1.25 0.11 -0.23 1.98 2.20 -1.26 -5.15 119.74 118.64 1pm6 s LYS 62 Ca -0.07 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1pm6 s LYS 62 Cb -0.13 -0.50 0.05 0.00 -1.51 0.00 0.00 37.83 35.75 1pm6 s LYS 62 CO -0.02 -0.41 -0.09 0.50 -0.36 0.00 0.00 175.35 174.97 1pm6 s ARG 63 N 2.34 2.02 0.22 4.03 3.00 -1.26 -5.13 118.95 124.16 1pm6 s ARG 63 Ca 0.04 -1.08 -0.06 0.00 -1.00 0.00 0.00 55.73 53.63 1pm6 s ARG 63 Cb -0.13 -2.65 -0.06 0.00 0.00 0.00 0.00 34.95 32.11 1pm6 s ARG 63 CO -0.08 -0.53 0.48 -1.50 0.00 0.00 0.00 175.30 173.67 1pm6 s ILE 64 N 1.28 5.06 0.00 4.11 2.07 -1.26 -5.13 121.20 127.33 1pm6 s ILE 64 Ca -0.05 0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1pm6 s ILE 64 Cb -0.18 -3.66 -0.00 0.00 0.13 0.00 0.00 42.46 38.74 1pm6 s ILE 64 CO -0.07 -0.12 -0.03 0.00 -1.91 0.00 0.00 174.94 172.81 1pm6 s ARG 65 N -3.02 0.28 -0.02 3.50 3.03 -1.26 -5.17 118.95 116.28 1pm6 s ARG 65 Ca 0.44 -0.17 0.08 0.00 2.03 0.00 0.00 55.73 58.10 1pm6 s ARG 65 Cb -0.11 -0.24 -0.02 0.00 -1.03 0.00 0.00 34.95 33.55 1pm6 s ARG 65 CO 0.25 0.06 -0.26 0.54 -1.13 0.00 0.00 175.30 174.77 1pm6 s ASN 66 N -0.21 3.01 -0.04 -2.89 4.22 -1.26 -5.15 114.94 112.62 1pm6 s ASN 66 Ca -0.00 -0.47 0.01 0.00 -2.14 0.00 0.00 52.86 50.26 1pm6 s ASN 66 Cb -0.02 -0.39 0.02 0.00 1.28 0.00 0.00 41.25 42.14 1pm6 s ASN 66 CO -0.00 0.31 -0.03 -0.83 -2.04 0.00 0.00 177.10 174.51 1pm6 s GLY 67 N -0.56 0.39 0.02 0.45 0.00 -1.26 -5.16 107.32 101.21 1pm6 s GLY 67 Ca 0.08 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.82 1pm6 s GLY 67 CO -0.00 0.55 -0.07 1.25 0.00 0.00 0.00 173.10 174.83 1pm6 s LYS 68 N 1.05 0.47 0.15 2.90 2.36 -1.26 -5.18 119.74 120.24 1pm6 s LYS 68 Ca -0.09 -0.49 0.05 0.00 -2.55 0.00 0.00 55.97 52.89 1pm6 s LYS 68 Cb -0.14 -0.34 -0.04 0.00 -1.05 0.00 0.00 37.83 36.26 1pm6 s LYS 68 CO -0.01 0.08 -0.12 -1.59 1.55 0.00 0.00 175.35 175.26 1pm6 s LYS 69 N -0.90 1.09 0.09 4.03 0.00 -1.26 -5.18 119.74 117.61 1pm6 s LYS 69 Ca -0.04 -1.41 -0.09 0.00 0.00 0.00 0.00 55.97 54.42 1pm6 s LYS 69 Cb -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 37.83 36.98 1pm6 s LYS 69 CO 0.00 0.12 0.21 0.00 0.00 0.00 0.00 175.35 175.68 1pm6 s ALA 70 N -2.90 -0.29 0.43 0.59 0.00 -1.26 -5.17 121.76 113.15 1pm6 s ALA 70 Ca 0.15 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 1pm6 s ALA 70 Cb -0.00 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1pm6 s ALA 70 CO 0.02 -0.51 1.04 0.21 0.00 0.00 0.00 175.76 176.52 1pm6 s LYS 71 N -3.78 4.05 0.00 0.00 2.20 -1.26 -5.40 119.74 115.56 1pm6 s LYS 71 Ca 0.04 1.43 0.09 0.00 -0.36 0.00 0.00 55.97 57.17 1pm6 s LYS 71 Cb 0.04 -2.37 0.56 0.00 -1.51 0.00 0.00 37.83 34.55 1pm6 s LYS 71 CO -0.11 -0.22 1.01 0.45 -0.36 0.00 0.00 175.35 176.12