#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 3.37 0.41 1.12 1.51 -1.26 -1.38 117.35 121.11 1pm6 s TYR 2 Ca 0.00 0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.49 1pm6 s TYR 2 Cb 0.00 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1pm6 s TYR 2 CO 0.00 0.14 0.40 -0.48 -1.11 0.00 0.00 175.55 174.50 1pm6 s LEU 3 N 0.82 3.45 0.62 -1.29 2.34 0.78 -4.85 118.68 120.57 1pm6 s LEU 3 Ca 0.10 -0.67 -0.14 0.00 0.06 0.00 0.00 54.13 53.48 1pm6 s LEU 3 Cb -0.13 -2.16 -0.02 0.00 -0.56 0.00 0.00 46.19 43.32 1pm6 s LEU 3 CO 0.03 -0.64 1.05 -0.89 -1.06 0.00 0.00 176.35 174.84 1pm6 s THR 4 N -2.44 4.02 0.15 5.48 2.01 -1.26 -0.76 115.64 122.85 1pm6 s THR 4 Ca 0.48 0.82 -0.19 0.00 0.31 0.00 0.00 61.69 63.12 1pm6 s THR 4 Cb -0.04 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 69.06 1pm6 s THR 4 CO 0.28 -0.69 1.67 0.25 -0.69 0.00 0.00 174.62 175.45 1pm6 h LEU 5 N 0.01 -0.36 -0.56 4.42 6.46 -1.92 0.13 115.31 123.48 1pm6 h LEU 5 Ca -0.46 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1pm6 h LEU 5 Cb 1.21 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.32 1pm6 h LEU 5 CO 0.58 -0.13 0.30 -0.61 -0.62 0.00 0.00 178.44 177.95 1pm6 h GLN 6 N -0.04 0.56 -0.60 1.25 4.15 -1.95 -1.90 115.11 116.58 1pm6 h GLN 6 Ca 0.16 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1pm6 h GLN 6 Cb 0.27 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1pm6 h GLN 6 CO -0.34 0.37 0.27 0.93 -1.93 0.00 0.00 178.83 178.12 1pm6 h GLU 7 N 0.57 0.85 0.09 1.69 5.08 -1.86 -0.97 114.58 120.03 1pm6 h GLU 7 Ca 0.25 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pm6 h GLU 7 Cb 0.14 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pm6 h GLU 7 CO -0.16 0.68 -0.05 2.35 -1.00 0.00 0.00 179.01 180.83 1pm6 h TRP 8 N 0.85 -0.13 -0.53 4.33 7.01 -0.62 -0.97 115.95 125.88 1pm6 h TRP 8 Ca 0.21 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.26 1pm6 h TRP 8 Cb 0.12 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 1pm6 h TRP 8 CO 0.01 -0.08 0.26 -0.97 -2.79 0.00 0.00 178.44 174.86 1pm6 h ASN 9 N -0.13 0.35 -0.07 2.65 -1.24 -1.25 -2.11 115.58 113.79 1pm6 h ASN 9 Ca -0.01 0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1pm6 h ASN 9 Cb 0.11 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1pm6 h ASN 9 CO 0.01 0.24 0.07 0.00 -1.29 0.00 0.00 177.43 176.46 1pm6 h ALA 10 N 1.30 1.78 0.00 1.57 0.00 -1.20 -2.27 119.26 120.43 1pm6 h ALA 10 Ca 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1pm6 h ALA 10 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pm6 h ALA 10 CO -0.18 -0.10 -0.14 0.00 0.00 0.00 0.00 179.25 178.83 1pm6 h ARG 11 N 0.00 0.00 -6.93 0.00 -0.00 -0.48 -3.44 114.38 103.53 1pm6 h ARG 11 Ca 0.03 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.98 1pm6 h ARG 11 Cb 0.16 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.22 1pm6 h ARG 11 CO -0.00 0.14 0.66 -0.65 0.00 0.00 0.00 179.97 180.12 1pm6 s GLN 12 N -4.29 4.05 0.35 0.04 1.11 -0.85 -4.97 119.66 115.10 1pm6 s GLN 12 Ca -0.03 2.27 0.11 0.00 0.01 0.00 0.00 55.36 57.72 1pm6 s GLN 12 Cb 0.14 -2.86 0.88 0.00 -1.01 0.00 0.00 33.01 30.16 1pm6 s GLN 12 CO 0.61 -0.46 1.81 -0.09 0.01 0.00 0.00 175.29 177.17 1pm6 h ARG 13 N 2.87 0.61 -4.08 2.91 2.43 -1.86 -3.34 114.38 113.92 1pm6 h ARG 13 Ca -0.50 -0.04 -0.47 0.00 -0.81 0.00 0.00 59.98 58.16 1pm6 h ARG 13 Cb 1.24 -0.14 -0.36 0.00 -0.42 0.00 0.00 29.97 30.30 1pm6 h ARG 13 CO 0.63 0.40 -0.79 1.03 -1.51 0.00 0.00 179.97 179.74 1pm6 s ARG 14 N -5.68 1.13 1.02 0.20 0.52 -1.26 -5.16 118.95 109.72 1pm6 s ARG 14 Ca -0.10 -0.14 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 1pm6 s ARG 14 Cb 0.24 -1.21 0.20 0.00 0.52 0.00 0.00 34.95 34.70 1pm6 s ARG 14 CO 0.80 -0.19 1.12 -1.25 0.02 0.00 0.00 175.30 175.79 1pm6 s PRO 15 N 1.43 0.23 0.10 3.54 0.04 -1.25 -5.06 135.00 134.03 1pm6 s PRO 15 Ca -0.02 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1pm6 s PRO 15 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1pm6 s PRO 15 CO -0.04 -2.82 0.00 2.89 0.04 0.00 0.00 177.00 177.08 1pm6 n ARG 16 N -4.19 0.00 -3.65 4.56 1.85 -1.26 -5.12 116.66 108.84 1pm6 n ARG 16 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.78 1pm6 n ARG 16 Cb 0.58 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.91 1pm6 n ARG 16 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pm6 s SER 17 N -4.24 -0.53 0.35 2.89 0.15 -1.26 -5.05 113.70 106.01 1pm6 s SER 17 Ca 0.00 0.84 0.03 0.00 0.70 0.00 0.00 55.95 57.51 1pm6 s SER 17 Cb 0.00 0.84 0.64 0.00 -1.71 0.00 0.00 66.02 65.79 1pm6 s SER 17 CO 0.00 -0.35 1.99 -0.07 1.20 0.00 0.00 173.24 176.01 1pm6 h LEU 18 N 4.41 0.68 -1.16 3.45 4.07 -2.00 -2.83 115.31 121.92 1pm6 h LEU 18 Ca -0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1pm6 h LEU 18 Cb 1.16 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 1pm6 h LEU 18 CO 0.26 0.53 0.29 -0.33 -1.08 0.00 0.00 178.44 178.10 1pm6 h GLU 19 N 0.78 0.87 -0.19 1.13 4.39 -1.98 -0.48 114.58 119.11 1pm6 h GLU 19 Ca 0.20 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1pm6 h GLU 19 Cb -0.02 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1pm6 h GLU 19 CO -0.04 0.68 0.12 1.15 -1.16 0.00 0.00 179.01 179.77 1pm6 h THR 20 N 0.87 1.05 -0.62 1.13 2.02 -1.93 -0.69 112.91 114.74 1pm6 h THR 20 Ca 0.21 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1pm6 h THR 20 Cb 0.10 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1pm6 h THR 20 CO -0.03 0.05 0.35 0.58 0.37 0.00 0.00 175.52 176.84 1pm6 h VAL 21 N 0.25 1.00 -0.98 3.16 2.07 -1.44 -1.44 116.25 118.88 1pm6 h VAL 21 Ca 0.07 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1pm6 h VAL 21 Cb -0.03 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1pm6 h VAL 21 CO -0.02 0.12 0.63 -0.09 0.02 0.00 0.00 177.57 178.24 1pm6 h ARG 22 N 0.67 1.16 -0.41 1.57 1.12 -0.96 -1.04 114.38 116.48 1pm6 h ARG 22 Ca 0.27 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 59.08 1pm6 h ARG 22 Cb 0.12 -0.26 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 1pm6 h ARG 22 CO -0.15 0.76 0.26 -0.09 -3.11 0.00 0.00 179.97 177.64 1pm6 h ARG 23 N 1.19 0.51 -0.84 0.20 2.43 -0.98 -2.07 114.38 114.82 1pm6 h ARG 23 Ca 0.40 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.61 1pm6 h ARG 23 Cb 0.08 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 1pm6 h ARG 23 CO -0.15 0.34 0.55 -1.49 -1.51 0.00 0.00 179.97 177.71 1pm6 h TRP 24 N 0.53 0.94 0.29 2.20 6.55 -0.83 0.23 115.95 125.85 1pm6 h TRP 24 Ca 0.16 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 1pm6 h TRP 24 Cb -0.03 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 27.97 1pm6 h TRP 24 CO -0.06 0.49 -0.14 0.28 -1.05 0.00 0.00 178.44 177.96 1pm6 h VAL 25 N 0.92 0.74 -0.63 1.49 2.07 -1.20 -3.10 116.25 116.53 1pm6 h VAL 25 Ca 0.36 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1pm6 h VAL 25 Cb 0.24 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1pm6 h VAL 25 CO -0.13 0.03 0.42 0.03 0.02 0.00 0.00 177.57 177.94 1pm6 h ARG 26 N -0.46 0.45 0.00 1.57 2.47 -1.08 -1.69 114.38 115.64 1pm6 h ARG 26 Ca -0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1pm6 h ARG 26 Cb 0.35 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1pm6 h ARG 26 CO 0.06 0.30 0.00 0.39 0.56 0.00 0.00 179.97 181.28 1pm6 n GLU 27 N -4.48 0.07 -3.53 0.04 1.02 0.04 -4.98 120.64 108.82 1pm6 n GLU 27 Ca 0.10 0.30 -0.21 0.00 -0.02 0.00 0.00 57.16 57.33 1pm6 n GLU 27 Cb 0.36 -1.62 0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pm6 n SER 28 N -1.75 -4.29 -0.04 1.62 7.64 -0.64 -4.98 113.62 111.18 1pm6 n SER 28 Ca 0.03 -0.59 -0.00 0.00 1.01 0.00 0.00 58.87 59.32 1pm6 n SER 28 Cb 0.20 -5.04 -0.11 0.00 -1.01 0.00 0.00 64.21 58.25 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 -4.60 1.21 -2.48 1.43 1.74 -1.20 -4.93 116.66 107.83 1pm6 n ARG 29 Ca -0.13 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 1pm6 n ARG 29 Cb 0.61 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 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 -2.62 4.28 -0.00 0.55 1.01 -1.26 -0.94 121.20 122.22 1pm6 s ILE 30 Ca -0.06 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1pm6 s ILE 30 Cb 0.06 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1pm6 s ILE 30 CO 0.56 -0.35 -0.01 0.12 0.00 0.00 0.00 174.94 175.26 1pm6 s PHE 31 N 3.90 0.09 0.57 3.97 5.36 -0.36 -4.10 117.98 127.42 1pm6 s PHE 31 Ca 0.53 -0.01 -0.19 0.00 -0.96 0.00 0.00 56.93 56.30 1pm6 s PHE 31 Cb -0.17 -0.07 -0.05 0.00 -0.34 0.00 0.00 43.02 42.39 1pm6 s PHE 31 CO 0.18 -0.01 1.16 -1.25 -1.46 0.00 0.00 175.22 173.84 1pm6 s PRO 32 N 0.02 3.18 0.43 10.12 0.04 -1.26 -2.15 135.00 145.36 1pm6 s PRO 32 Ca 0.00 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 1pm6 s PRO 32 Cb -0.01 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1pm6 s PRO 32 CO -0.00 -1.01 1.17 -1.25 0.04 0.00 0.00 177.00 175.95 1pm6 s PRO 33 N -3.35 3.93 0.44 0.56 0.04 -1.26 -4.75 135.00 130.61 1pm6 s PRO 33 Ca 0.74 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 1pm6 s PRO 33 Cb -0.26 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.65 1pm6 s PRO 33 CO 0.30 -0.42 1.14 -1.25 0.04 0.00 0.00 177.00 176.82 1pm6 s PRO 34 N -2.48 3.87 -0.44 0.56 0.04 -1.26 -4.94 135.00 130.35 1pm6 s PRO 34 Ca 0.60 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 1pm6 s PRO 34 Cb -0.29 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 31.81 1pm6 s PRO 34 CO 0.37 -0.45 1.16 0.08 0.04 0.00 0.00 177.00 178.20 1pm6 s VAL 35 N -1.55 4.22 -0.65 -0.36 1.01 -0.25 -4.73 120.40 118.08 1pm6 s VAL 35 Ca 0.62 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 63.60 1pm6 s VAL 35 Cb -0.28 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.59 1pm6 s VAL 35 CO 0.34 -0.89 1.42 -0.75 0.00 0.00 0.00 175.10 175.21 1pm6 s LYS 36 N 4.37 3.14 -0.08 2.72 2.36 -1.26 -0.99 119.74 130.00 1pm6 s LYS 36 Ca 0.49 0.15 -0.20 0.00 -2.55 0.00 0.00 55.97 53.86 1pm6 s LYS 36 Cb -0.09 -4.19 -0.29 0.00 -1.05 0.00 0.00 37.83 32.21 1pm6 s LYS 36 CO 0.29 -2.16 0.74 0.22 1.55 0.00 0.00 175.35 175.98 1pm6 h ASP 37 N 11.21 0.38 0.00 1.43 1.82 -1.94 -3.50 116.42 125.82 1pm6 h ASP 37 Ca -0.27 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.47 1pm6 h ASP 37 Cb 1.08 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1pm6 h ASP 37 CO 1.23 1.45 0.00 0.61 -1.61 0.00 0.00 179.24 180.92 1pm6 n GLY 38 N 1.68 -1.96 0.20 -0.78 0.00 -1.26 -4.99 105.19 98.07 1pm6 n GLY 38 Ca -0.18 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.72 0.93 -4.12 1.61 1.74 -1.26 -5.01 116.66 108.84 1pm6 n ARG 39 Ca 0.00 -1.98 -0.24 0.00 -0.77 0.00 0.00 57.85 54.86 1pm6 n ARG 39 Cb 0.00 -1.14 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pm6 s GLU 40 N -1.81 1.28 -0.01 5.56 2.02 -1.26 -5.12 118.70 119.36 1pm6 s GLU 40 Ca 0.20 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1pm6 s GLU 40 Cb 0.17 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 1pm6 s GLU 40 CO 0.02 -0.16 1.24 0.71 0.02 0.00 0.00 175.26 177.09 1pm6 s TYR 41 N 1.30 3.21 -0.55 1.61 2.02 -1.26 -3.50 117.35 120.19 1pm6 s TYR 41 Ca -0.04 1.17 -0.19 0.00 -0.37 0.00 0.00 57.07 57.64 1pm6 s TYR 41 Cb -0.14 -3.46 0.08 0.00 -0.40 0.00 0.00 41.96 38.04 1pm6 s TYR 41 CO -0.03 -1.50 0.68 -0.51 -1.57 0.00 0.00 175.55 172.62 1pm6 s LEU 42 N 1.87 5.08 -0.08 -1.29 1.43 -0.16 -2.95 118.68 122.58 1pm6 s LEU 42 Ca 0.58 -1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 1pm6 s LEU 42 Cb -0.27 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1pm6 s LEU 42 CO 0.25 -1.02 0.52 -0.36 0.23 0.00 0.00 176.35 175.97 1pm6 s PHE 43 N 2.76 3.57 0.34 0.29 0.40 0.06 -1.09 117.98 124.31 1pm6 s PHE 43 Ca 0.14 0.99 -0.28 0.00 -0.60 0.00 0.00 56.93 57.18 1pm6 s PHE 43 Cb -0.21 -2.57 -0.09 0.00 0.51 0.00 0.00 43.02 40.66 1pm6 s PHE 43 CO 0.10 0.23 1.20 -1.58 0.70 0.00 0.00 175.22 175.86 1pm6 s HIS 44 N 0.37 3.22 -0.50 0.36 5.65 -1.26 -0.15 115.29 122.99 1pm6 s HIS 44 Ca 0.28 1.55 -0.26 0.00 0.25 0.00 0.00 55.06 56.88 1pm6 s HIS 44 Cb -0.16 -3.46 -0.25 0.00 -1.18 0.00 0.00 32.58 27.53 1pm6 s HIS 44 CO 0.13 -1.27 1.80 0.39 -0.65 0.00 0.00 174.74 175.13 1pm6 n GLU 45 N 0.70 0.87 0.00 2.88 -0.58 -0.48 -1.83 120.64 122.20 1pm6 n GLU 45 Ca 0.01 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1pm6 n GLU 45 Cb 0.44 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 1pm6 n GLU 45 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1pm6 n SER 46 N 8.81 0.00 -4.66 1.62 2.88 -1.26 -4.89 113.62 116.13 1pm6 n SER 46 Ca 0.48 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.60 1pm6 n SER 46 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 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 3.54 0.15 -1.46 0.00 -0.76 -4.79 121.76 118.44 1pm6 s ALA 47 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.27 1pm6 s ALA 47 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1pm6 s ALA 47 CO 0.00 -1.63 -0.01 0.14 0.00 0.00 0.00 175.76 174.26 1pm6 s VAL 48 N 4.65 0.64 -0.99 0.00 -7.23 -0.91 -4.85 120.40 111.71 1pm6 s VAL 48 Ca 0.89 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1pm6 s VAL 48 Cb -0.42 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1pm6 s VAL 48 CO 0.41 -0.57 1.66 -0.54 -0.31 0.00 0.00 175.10 175.75 1pm6 s LYS 49 N -3.91 3.18 -0.41 4.82 3.01 -1.26 -1.22 119.74 123.96 1pm6 s LYS 49 Ca 0.21 -0.83 -0.15 0.00 -1.01 0.00 0.00 55.97 54.19 1pm6 s LYS 49 Cb 0.06 -5.25 0.02 0.00 -1.01 0.00 0.00 37.83 31.65 1pm6 s LYS 49 CO 0.02 -2.70 0.29 0.54 0.51 0.00 0.00 175.35 174.00 1pm6 s VAL 50 N 7.06 5.21 0.13 3.17 0.11 -0.12 -4.96 120.40 131.01 1pm6 s VAL 50 Ca 0.56 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 1pm6 s VAL 50 Cb -0.02 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1pm6 s VAL 50 CO -0.05 -0.29 -0.05 1.51 -3.33 0.00 0.00 175.10 172.88 1pm6 s ASP 51 N 1.67 4.62 0.05 3.54 -4.77 -1.26 -4.72 116.67 115.80 1pm6 s ASP 51 Ca 0.05 -0.36 -0.30 0.00 -3.30 0.00 0.00 52.55 48.63 1pm6 s ASP 51 Cb -0.19 -0.95 -0.05 0.00 -1.09 0.00 0.00 42.92 40.63 1pm6 s ASP 51 CO 0.10 0.15 1.19 -1.48 0.70 0.00 0.00 175.17 175.83 1pm6 s LEU 52 N -2.48 4.36 -0.27 2.11 0.05 -1.26 -5.01 118.68 116.17 1pm6 s LEU 52 Ca 0.24 1.98 -0.29 0.00 0.05 0.00 0.00 54.13 56.12 1pm6 s LEU 52 Cb -0.11 -3.58 -0.01 0.00 -2.05 0.00 0.00 46.19 40.44 1pm6 s LEU 52 CO 0.16 -0.48 1.52 0.54 -0.55 0.00 0.00 176.35 177.55 1pm6 s ASN 53 N 1.11 6.41 -0.32 1.48 2.20 -1.26 -4.98 114.94 119.58 1pm6 s ASN 53 Ca 0.58 1.39 -0.29 0.00 -0.94 0.00 0.00 52.86 53.60 1pm6 s ASN 53 Cb -0.29 -2.53 -0.01 0.00 -2.00 0.00 0.00 41.25 36.42 1pm6 s ASN 53 CO 0.28 -1.27 1.60 -0.13 -2.94 0.00 0.00 177.10 174.64 1pm6 s ARG 54 N 4.66 3.59 -1.39 3.55 1.81 -1.26 -4.94 118.95 124.97 1pm6 s ARG 54 Ca 0.67 1.35 -0.13 0.00 -1.72 0.00 0.00 55.73 55.90 1pm6 s ARG 54 Cb -0.21 -4.08 0.08 0.00 -0.45 0.00 0.00 34.95 30.29 1pm6 s ARG 54 CO 0.28 -1.54 2.07 -0.35 -0.68 0.00 0.00 175.30 175.07 1pm6 n PRO 55 N 8.01 3.10 -3.69 3.54 -0.04 -1.26 -4.81 135.00 139.86 1pm6 n PRO 55 Ca 0.19 -2.95 -0.27 0.00 -0.04 0.00 0.00 63.50 60.43 1pm6 n PRO 55 Cb 0.47 -3.20 -0.11 0.00 -0.04 0.00 0.00 33.50 30.61 1pm6 n PRO 55 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1pm6 n VAL 56 N 4.73 0.82 -3.83 0.52 0.24 -1.26 -5.08 118.33 114.47 1pm6 n VAL 56 Ca 0.48 -4.47 -0.12 0.00 -2.04 0.00 0.00 64.34 58.19 1pm6 n VAL 56 Cb 0.39 -2.02 -0.13 0.00 -1.47 0.00 0.00 33.84 30.61 1pm6 n VAL 56 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pm6 s THR 57 N -1.13 -0.00 0.00 3.34 -1.32 -1.26 -5.17 115.64 110.09 1pm6 s THR 57 Ca 0.29 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1pm6 s THR 57 Cb 0.01 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.83 1pm6 s THR 57 CO -0.16 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1pm6 n GLY 58 N 3.07 4.60 2.84 6.08 0.00 -1.26 -5.17 105.19 115.36 1pm6 n GLY 58 Ca -0.13 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 1.33 0.87 -0.59 1.61 0.15 -1.26 -5.13 113.70 110.68 1pm6 s SER 59 Ca 0.00 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.42 1pm6 s SER 59 Cb 0.00 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1pm6 s SER 59 CO 0.00 -0.30 1.30 -0.22 1.20 0.00 0.00 173.24 175.22 1pm6 s LEU 60 N 2.41 3.39 -0.21 3.45 2.96 -1.26 -5.01 118.68 124.41 1pm6 s LEU 60 Ca 0.07 0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.93 1pm6 s LEU 60 Cb -0.15 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1pm6 s LEU 60 CO -0.13 -1.63 0.44 -0.22 -1.32 0.00 0.00 176.35 173.49 1pm6 s LEU 61 N 5.55 4.14 0.00 -0.68 2.96 -1.26 -5.09 118.68 124.30 1pm6 s LEU 61 Ca 0.46 0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 54.77 1pm6 s LEU 61 Cb -0.09 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.97 1pm6 s LEU 61 CO 0.24 -0.12 0.44 -0.75 -1.32 0.00 0.00 176.35 174.84 1pm6 s LYS 62 N 1.48 4.00 -0.08 1.98 2.47 -1.26 -5.10 119.74 123.22 1pm6 s LYS 62 Ca 0.21 0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 55.08 1pm6 s LYS 62 Cb -0.15 -3.24 0.03 0.00 -1.46 0.00 0.00 37.83 33.01 1pm6 s LYS 62 CO 0.09 0.64 -0.03 1.03 0.16 0.00 0.00 175.35 177.24 1pm6 s ARG 63 N -0.96 0.92 0.11 4.03 1.81 -1.26 -5.16 118.95 118.44 1pm6 s ARG 63 Ca 0.25 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.25 1pm6 s ARG 63 Cb -0.17 -1.13 -0.04 0.00 -0.45 0.00 0.00 34.95 33.16 1pm6 s ARG 63 CO 0.14 -0.25 0.17 0.96 -0.68 0.00 0.00 175.30 175.63 1pm6 s ILE 64 N 1.72 4.89 -0.19 1.52 -4.36 -1.26 -5.13 121.20 118.39 1pm6 s ILE 64 Ca 0.02 -0.73 -0.04 0.00 -0.26 0.00 0.00 60.65 59.64 1pm6 s ILE 64 Cb -0.13 -3.43 0.09 0.00 1.25 0.00 0.00 42.46 40.25 1pm6 s ILE 64 CO -0.05 0.03 0.26 -0.60 0.24 0.00 0.00 174.94 174.82 1pm6 s ARG 65 N -2.76 0.21 -0.09 0.37 6.06 -1.26 -5.14 118.95 116.34 1pm6 s ARG 65 Ca 0.32 0.39 -0.01 0.00 -2.50 0.00 0.00 55.73 53.92 1pm6 s ARG 65 Cb -0.12 -0.81 0.03 0.00 0.06 0.00 0.00 34.95 34.11 1pm6 s ARG 65 CO 0.25 -0.57 -0.01 -0.80 -2.50 0.00 0.00 175.30 171.66 1pm6 s ASN 66 N 2.39 1.79 0.28 -2.12 -0.87 -1.26 -5.16 114.94 110.00 1pm6 s ASN 66 Ca 0.07 -0.17 0.05 0.00 -1.57 0.00 0.00 52.86 51.23 1pm6 s ASN 66 Cb -0.15 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.25 40.48 1pm6 s ASN 66 CO -0.12 -0.18 -0.01 -0.83 -2.57 0.00 0.00 177.10 173.39 1pm6 s GLY 67 N 1.91 1.84 0.05 0.66 0.00 -1.26 -5.18 107.32 105.34 1pm6 s GLY 67 Ca 0.05 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 42.81 1pm6 s GLY 67 CO -0.06 -1.79 0.04 -1.59 0.00 0.00 0.00 173.10 169.69 1pm6 s LYS 68 N -3.82 0.61 0.07 2.90 0.00 -1.26 -5.18 119.74 113.06 1pm6 s LYS 68 Ca 0.31 -0.99 0.09 0.00 0.00 0.00 0.00 55.97 55.38 1pm6 s LYS 68 Cb 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 37.83 38.08 1pm6 s LYS 68 CO 0.12 -0.14 -0.23 0.15 0.00 0.00 0.00 175.35 175.25 1pm6 s LYS 69 N -3.30 1.43 0.12 1.78 -0.14 -1.26 -5.16 119.74 113.20 1pm6 s LYS 69 Ca 0.01 -1.09 0.10 0.00 -1.36 0.00 0.00 55.97 53.62 1pm6 s LYS 69 Cb 0.03 -1.65 -0.04 0.00 -1.68 0.00 0.00 37.83 34.49 1pm6 s LYS 69 CO -0.08 0.41 -0.23 0.00 -0.76 0.00 0.00 175.35 174.69 1pm6 s ALA 70 N -0.92 2.08 -0.12 5.17 0.00 -1.26 -5.16 121.76 121.55 1pm6 s ALA 70 Ca 0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 1pm6 s ALA 70 Cb -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1pm6 s ALA 70 CO 0.03 0.43 0.03 0.21 0.00 0.00 0.00 175.76 176.47 1pm6 s LYS 71 N -2.04 3.38 0.00 0.00 2.20 -1.26 -5.40 119.74 116.61 1pm6 s LYS 71 Ca 0.11 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1pm6 s LYS 71 Cb -0.10 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1pm6 s LYS 71 CO 0.05 0.56 0.00 0.43 -0.36 0.00 0.00 175.35 176.03