#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 2.82 0.28 1.12 2.02 -1.26 -2.56 117.35 119.77 1pm6 s TYR 2 Ca 0.00 -0.92 0.06 0.00 -0.37 0.00 0.00 57.07 55.84 1pm6 s TYR 2 Cb 0.00 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1pm6 s TYR 2 CO 0.00 -0.42 0.34 -0.48 -1.57 0.00 0.00 175.55 173.42 1pm6 s LEU 3 N 0.80 4.01 0.69 -1.29 2.34 0.27 -4.88 118.68 120.60 1pm6 s LEU 3 Ca -0.05 -0.15 -0.13 0.00 0.06 0.00 0.00 54.13 53.86 1pm6 s LEU 3 Cb -0.15 -2.61 0.01 0.00 -0.56 0.00 0.00 46.19 42.88 1pm6 s LEU 3 CO 0.01 -0.19 1.10 -0.89 -1.06 0.00 0.00 176.35 175.31 1pm6 s THR 4 N -2.11 3.38 0.19 5.48 2.01 -1.26 -0.73 115.64 122.59 1pm6 s THR 4 Ca 0.37 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 1pm6 s THR 4 Cb -0.08 -3.09 0.17 0.00 0.01 0.00 0.00 72.50 69.50 1pm6 s THR 4 CO 0.28 -0.47 1.63 0.25 -0.69 0.00 0.00 174.62 175.62 1pm6 h LEU 5 N -0.33 -0.66 -0.85 4.42 6.46 -1.88 0.11 115.31 122.58 1pm6 h LEU 5 Ca -0.46 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1pm6 h LEU 5 Cb 1.24 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 41.51 1pm6 h LEU 5 CO 0.54 -0.22 0.55 1.56 -0.62 0.00 0.00 178.44 180.25 1pm6 h GLN 6 N -0.06 1.07 -0.51 1.25 1.08 -1.94 -1.11 115.11 114.90 1pm6 h GLN 6 Ca 0.25 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1pm6 h GLN 6 Cb 0.45 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1pm6 h GLN 6 CO -0.58 0.71 0.24 0.93 -0.95 0.00 0.00 178.83 179.18 1pm6 h GLU 7 N 1.10 0.73 0.21 1.46 5.08 -1.79 -1.38 114.58 119.99 1pm6 h GLU 7 Ca 0.33 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1pm6 h GLU 7 Cb -0.06 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1pm6 h GLU 7 CO -0.09 0.62 -0.39 2.35 -1.00 0.00 0.00 179.01 180.49 1pm6 h TRP 8 N 0.67 -1.08 -0.80 4.33 7.01 -0.73 -2.28 115.95 123.08 1pm6 h TRP 8 Ca 0.17 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.30 1pm6 h TRP 8 Cb 0.13 0.45 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 1pm6 h TRP 8 CO -0.00 -0.51 0.43 -0.97 -2.79 0.00 0.00 178.44 174.60 1pm6 h ASN 9 N -0.68 0.58 -0.68 2.65 -1.24 -1.21 -1.89 115.58 113.10 1pm6 h ASN 9 Ca 0.01 0.06 0.08 0.00 0.71 0.00 0.00 56.30 57.16 1pm6 h ASN 9 Cb 0.67 -0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.62 1pm6 h ASN 9 CO -0.17 0.31 0.35 0.00 -1.29 0.00 0.00 177.43 176.62 1pm6 h ALA 10 N 1.48 0.93 -0.42 1.57 0.00 -1.23 -3.21 119.26 118.38 1pm6 h ALA 10 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1pm6 h ALA 10 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pm6 h ALA 10 CO -0.28 -0.03 0.00 2.89 0.00 0.00 0.00 179.25 181.83 1pm6 n ARG 11 N -4.85 2.45 -2.73 0.00 1.85 -0.86 -4.16 116.66 108.36 1pm6 n ARG 11 Ca 0.10 -1.72 -0.43 0.00 -1.00 0.00 0.00 57.85 54.80 1pm6 n ARG 11 Cb 0.24 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1pm6 n ARG 11 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1pm6 n GLN 12 N 0.70 3.81 0.00 2.89 1.13 -0.76 -4.89 117.38 120.26 1pm6 n GLN 12 Ca 0.16 -3.96 0.00 0.00 -1.94 0.00 0.00 57.00 51.26 1pm6 n GLN 12 Cb 0.51 -2.79 0.00 0.00 0.11 0.00 0.00 30.24 28.07 1pm6 n GLN 12 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1pm6 n ARG 13 N 3.35 0.00 -3.95 -1.09 3.00 -1.26 -4.78 116.66 111.94 1pm6 n ARG 13 Ca 0.34 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 58.08 1pm6 n ARG 13 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.72 1pm6 n ARG 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1pm6 s ARG 14 N 0.00 0.41 -1.01 5.56 0.52 -1.26 -5.10 118.95 118.06 1pm6 s ARG 14 Ca 0.00 -0.61 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 1pm6 s ARG 14 Cb 0.00 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.58 1pm6 s ARG 14 CO 0.00 -0.08 1.89 -1.25 0.02 0.00 0.00 175.30 175.88 1pm6 s PRO 15 N -1.76 2.69 0.89 3.54 0.04 -1.25 -4.70 135.00 134.46 1pm6 s PRO 15 Ca -0.13 -0.70 -0.13 0.00 0.04 0.00 0.00 61.00 60.08 1pm6 s PRO 15 Cb -0.07 -5.16 0.16 0.00 0.04 0.00 0.00 34.50 29.46 1pm6 s PRO 15 CO -0.01 -3.41 1.25 1.03 0.04 0.00 0.00 177.00 175.90 1pm6 s ARG 16 N 6.55 1.12 0.03 4.56 0.52 -1.26 -4.99 118.95 125.48 1pm6 s ARG 16 Ca 0.67 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.25 1pm6 s ARG 16 Cb -0.04 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 1pm6 s ARG 16 CO 0.03 -2.08 1.26 0.45 0.02 0.00 0.00 175.30 174.97 1pm6 s SER 17 N -4.78 7.01 0.42 0.23 0.15 -1.26 -4.97 113.70 110.49 1pm6 s SER 17 Ca 0.70 2.03 0.15 0.00 0.70 0.00 0.00 55.95 59.53 1pm6 s SER 17 Cb -0.06 -2.57 1.03 0.00 -1.71 0.00 0.00 66.02 62.71 1pm6 s SER 17 CO 0.51 -0.56 1.92 -0.07 1.20 0.00 0.00 173.24 176.24 1pm6 h LEU 18 N 7.34 0.41 -1.48 3.45 3.38 -2.00 -1.34 115.31 125.07 1pm6 h LEU 18 Ca -0.40 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.71 1pm6 h LEU 18 Cb 1.20 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1pm6 h LEU 18 CO 0.85 0.21 0.49 1.05 0.09 0.00 0.00 178.44 181.13 1pm6 h GLU 19 N 0.43 0.54 0.04 1.13 4.11 -1.98 -0.29 114.58 118.57 1pm6 h GLU 19 Ca 0.37 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.77 1pm6 h GLU 19 Cb 0.83 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1pm6 h GLU 19 CO -0.12 0.36 -0.02 1.79 0.07 0.00 0.00 179.01 181.09 1pm6 h THR 20 N 0.56 1.10 -0.57 -1.06 1.35 -1.64 -1.37 112.91 111.29 1pm6 h THR 20 Ca 0.35 -0.47 0.07 0.00 -0.55 0.00 0.00 66.41 65.82 1pm6 h THR 20 Cb 0.61 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1pm6 h THR 20 CO -0.13 0.12 0.25 0.58 -0.25 0.00 0.00 175.52 176.09 1pm6 h VAL 21 N -0.26 0.87 -0.68 6.82 2.07 -1.53 -1.09 116.25 122.44 1pm6 h VAL 21 Ca -0.01 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1pm6 h VAL 21 Cb 0.24 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1pm6 h VAL 21 CO 0.01 0.09 0.40 -0.09 0.02 0.00 0.00 177.57 178.00 1pm6 h ARG 22 N 0.47 0.74 -0.84 1.57 1.12 -1.06 -1.04 114.38 115.33 1pm6 h ARG 22 Ca 0.27 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.12 1pm6 h ARG 22 Cb 0.26 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 30.00 1pm6 h ARG 22 CO -0.23 0.49 0.54 0.00 -3.11 0.00 0.00 179.97 177.66 1pm6 h ARG 23 N 0.76 1.04 -0.86 0.20 3.08 -1.06 -0.76 114.38 116.78 1pm6 h ARG 23 Ca 0.29 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1pm6 h ARG 23 Cb 0.12 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1pm6 h ARG 23 CO -0.15 0.69 0.55 -1.49 -1.07 0.00 0.00 179.97 178.49 1pm6 h TRP 24 N 1.07 1.09 0.05 3.04 6.55 -0.85 -0.53 115.95 126.38 1pm6 h TRP 24 Ca 0.33 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.19 1pm6 h TRP 24 Cb -0.01 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 27.92 1pm6 h TRP 24 CO -0.02 0.70 -0.03 0.28 -1.05 0.00 0.00 178.44 178.32 1pm6 h VAL 25 N 1.17 1.05 -0.99 1.49 2.07 -1.12 -0.28 116.25 119.64 1pm6 h VAL 25 Ca 0.31 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1pm6 h VAL 25 Cb -0.10 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1pm6 h VAL 25 CO -0.06 0.09 0.64 0.03 0.02 0.00 0.00 177.57 178.28 1pm6 h ARG 26 N -0.23 1.10 -1.11 1.57 3.08 -0.97 -2.39 114.38 115.43 1pm6 h ARG 26 Ca -0.01 -0.07 -0.26 0.00 0.07 0.00 0.00 59.98 59.72 1pm6 h ARG 26 Cb 0.20 -0.25 -0.14 0.00 0.08 0.00 0.00 29.97 29.86 1pm6 h ARG 26 CO 0.01 0.73 0.33 -1.91 -1.07 0.00 0.00 179.97 178.06 1pm6 n GLU 27 N -4.51 1.63 -4.21 0.04 2.13 -0.22 -4.97 120.64 110.53 1pm6 n GLU 27 Ca 0.16 -1.44 -0.32 0.00 0.66 0.00 0.00 57.16 56.21 1pm6 n GLU 27 Cb 0.21 -1.57 -0.07 0.00 0.27 0.00 0.00 31.44 30.28 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1pm6 n SER 28 N -0.14 -0.07 -0.11 4.31 2.88 -0.90 -4.94 113.62 114.64 1pm6 n SER 28 Ca 0.29 -1.23 -0.14 0.00 -1.33 0.00 0.00 58.87 56.45 1pm6 n SER 28 Cb 0.95 -1.90 -0.13 0.00 -0.75 0.00 0.00 64.21 62.38 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pm6 n ARG 29 N -4.61 0.71 -2.08 -1.46 1.74 -0.12 -4.93 116.66 105.90 1pm6 n ARG 29 Ca -0.29 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 1pm6 n ARG 29 Cb 0.68 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.48 3.70 -0.07 0.55 -1.09 -1.25 -0.87 121.20 119.69 1pm6 s ILE 30 Ca -0.24 0.85 -0.05 0.00 -2.23 0.00 0.00 60.65 58.98 1pm6 s ILE 30 Cb 0.07 -3.55 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1pm6 s ILE 30 CO 0.66 -0.08 0.16 0.12 -1.23 0.00 0.00 174.94 174.57 1pm6 s PHE 31 N 3.96 -0.19 0.66 3.97 5.36 -0.05 -4.19 117.98 127.50 1pm6 s PHE 31 Ca 0.70 0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 57.00 1pm6 s PHE 31 Cb -0.31 0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.38 1pm6 s PHE 31 CO 0.27 -0.13 1.12 -1.25 -1.46 0.00 0.00 175.22 173.77 1pm6 s PRO 32 N 0.57 2.79 0.40 10.12 0.04 -1.26 -2.08 135.00 145.58 1pm6 s PRO 32 Ca -0.04 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1pm6 s PRO 32 Cb -0.06 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1pm6 s PRO 32 CO -0.03 -1.26 1.24 -1.25 0.04 0.00 0.00 177.00 175.74 1pm6 s PRO 33 N -4.05 4.01 0.60 0.56 0.04 -1.26 -4.85 135.00 130.05 1pm6 s PRO 33 Ca 0.68 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 1pm6 s PRO 33 Cb -0.21 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1pm6 s PRO 33 CO 0.41 -0.41 1.07 -1.25 0.04 0.00 0.00 177.00 176.86 1pm6 s PRO 34 N -2.25 3.24 -0.29 0.56 0.04 -1.26 -4.95 135.00 130.08 1pm6 s PRO 34 Ca 0.57 1.28 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1pm6 s PRO 34 Cb -0.35 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1pm6 s PRO 34 CO 0.44 -0.89 0.98 0.08 0.04 0.00 0.00 177.00 177.66 1pm6 s VAL 35 N -2.36 4.63 -0.40 -0.36 1.01 -0.06 -4.77 120.40 118.09 1pm6 s VAL 35 Ca 0.65 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.99 1pm6 s VAL 35 Cb -0.17 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1pm6 s VAL 35 CO 0.36 -0.34 1.49 -0.75 0.00 0.00 0.00 175.10 175.86 1pm6 s LYS 36 N 3.35 3.53 -0.26 2.72 2.47 -1.26 -0.70 119.74 129.59 1pm6 s LYS 36 Ca 0.41 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 55.86 1pm6 s LYS 36 Cb -0.13 -4.06 0.07 0.00 -1.46 0.00 0.00 37.83 32.25 1pm6 s LYS 36 CO 0.12 -1.62 0.01 -0.51 0.16 0.00 0.00 175.35 173.51 1pm6 s ASP 37 N 4.36 3.85 1.42 1.43 1.11 -0.30 -5.00 116.67 123.55 1pm6 s ASP 37 Ca 0.65 -1.34 0.00 0.00 0.18 0.00 0.00 52.55 52.04 1pm6 s ASP 37 Cb -0.15 -1.07 0.00 0.00 1.07 0.00 0.00 42.92 42.76 1pm6 s ASP 37 CO 0.33 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 176.99 1pm6 n GLY 38 N 4.72 1.66 2.49 0.21 0.00 -1.26 -2.23 105.19 110.78 1pm6 n GLY 38 Ca -0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 1.09 3.42 -3.59 1.61 3.00 -1.26 -5.06 116.66 115.87 1pm6 n ARG 39 Ca 0.00 -4.50 -0.15 0.00 -0.01 0.00 0.00 57.85 53.19 1pm6 n ARG 39 Cb 0.00 -2.25 -0.07 0.00 0.00 0.00 0.00 32.46 30.14 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1pm6 s GLU 40 N -3.55 0.88 -0.19 5.56 1.03 -0.95 -5.15 118.70 116.33 1pm6 s GLU 40 Ca 0.48 0.65 -0.20 0.00 0.03 0.00 0.00 54.97 55.93 1pm6 s GLU 40 Cb 0.40 0.42 -0.03 0.00 -0.80 0.00 0.00 34.13 34.13 1pm6 s GLU 40 CO -0.19 -0.19 0.60 0.71 -1.33 0.00 0.00 175.26 174.86 1pm6 s TYR 41 N -0.29 3.38 -0.54 4.83 2.02 -1.26 -1.14 117.35 124.34 1pm6 s TYR 41 Ca -0.04 0.89 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 1pm6 s TYR 41 Cb -0.03 -2.76 0.06 0.00 -0.40 0.00 0.00 41.96 38.83 1pm6 s TYR 41 CO 0.04 -0.15 0.76 -0.51 -1.57 0.00 0.00 175.55 174.12 1pm6 s LEU 42 N 1.80 4.68 0.37 -1.29 1.43 0.13 -2.47 118.68 123.32 1pm6 s LEU 42 Ca 0.28 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 1pm6 s LEU 42 Cb -0.16 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 1pm6 s LEU 42 CO 0.10 -1.07 0.83 -0.36 0.23 0.00 0.00 176.35 176.09 1pm6 s PHE 43 N 3.18 3.36 0.44 0.29 0.40 0.09 -0.89 117.98 124.85 1pm6 s PHE 43 Ca 0.20 1.40 -0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1pm6 s PHE 43 Cb -0.17 -2.68 -0.08 0.00 0.51 0.00 0.00 43.02 40.59 1pm6 s PHE 43 CO 0.14 0.02 0.88 -1.58 0.70 0.00 0.00 175.22 175.37 1pm6 s HIS 44 N -2.05 3.41 0.36 0.36 2.46 -1.26 -0.57 115.29 118.01 1pm6 s HIS 44 Ca 0.57 1.35 0.10 0.00 0.47 0.00 0.00 55.06 57.56 1pm6 s HIS 44 Cb -0.10 -2.68 0.86 0.00 -0.13 0.00 0.00 32.58 30.53 1pm6 s HIS 44 CO 0.16 -0.17 1.86 0.93 -2.47 0.00 0.00 174.74 175.05 1pm6 h GLU 45 N 1.45 0.62 -1.40 2.88 5.08 -1.89 -1.84 114.58 119.48 1pm6 h GLU 45 Ca -0.48 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.36 1pm6 h GLU 45 Cb 1.18 -0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.09 1pm6 h GLU 45 CO 0.63 0.41 0.62 0.43 -1.00 0.00 0.00 179.01 180.09 1pm6 n SER 46 N -4.57 6.98 -4.69 1.42 7.64 -1.26 -4.95 113.62 114.19 1pm6 n SER 46 Ca 0.18 -3.38 -0.37 0.00 1.01 0.00 0.00 58.87 56.31 1pm6 n SER 46 Cb 0.52 -1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pm6 s ALA 47 N -2.65 3.59 0.14 -0.43 0.00 -0.70 -4.52 121.76 117.19 1pm6 s ALA 47 Ca 0.47 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1pm6 s ALA 47 Cb 0.36 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1pm6 s ALA 47 CO -0.05 -0.09 0.08 0.14 0.00 0.00 0.00 175.76 175.85 1pm6 s VAL 48 N 0.86 0.09 -0.17 0.00 -7.23 -0.88 -4.97 120.40 108.09 1pm6 s VAL 48 Ca 0.14 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 1pm6 s VAL 48 Cb -0.13 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1pm6 s VAL 48 CO 0.05 -0.42 0.67 -1.59 -0.31 0.00 0.00 175.10 173.49 1pm6 s LYS 49 N -4.05 4.26 0.10 4.82 0.00 -1.26 -0.87 119.74 122.74 1pm6 s LYS 49 Ca 0.24 0.71 -0.31 0.00 0.00 0.00 0.00 55.97 56.61 1pm6 s LYS 49 Cb 0.07 -3.55 -0.07 0.00 0.00 0.00 0.00 37.83 34.27 1pm6 s LYS 49 CO 0.02 -0.20 1.32 0.54 0.00 0.00 0.00 175.35 177.03 1pm6 s VAL 50 N 1.75 3.54 -1.22 1.79 0.11 -0.05 -4.96 120.40 121.36 1pm6 s VAL 50 Ca 0.31 1.12 -0.18 0.00 -2.93 0.00 0.00 61.98 60.30 1pm6 s VAL 50 Cb -0.16 -3.72 0.08 0.00 -1.53 0.00 0.00 36.38 31.05 1pm6 s VAL 50 CO 0.12 0.09 1.62 -1.81 -3.33 0.00 0.00 175.10 171.79 1pm6 s ASP 51 N 1.02 6.80 -1.32 3.54 1.11 -1.26 -4.85 116.67 121.71 1pm6 s ASP 51 Ca 0.62 -2.32 -0.12 0.00 0.18 0.00 0.00 52.55 50.91 1pm6 s ASP 51 Cb -0.34 -2.55 0.13 0.00 1.07 0.00 0.00 42.92 41.23 1pm6 s ASP 51 CO 0.30 -1.17 1.89 -0.11 1.18 0.00 0.00 175.17 177.26 1pm6 n LEU 52 N 8.05 6.36 -3.47 1.23 7.94 -1.26 -4.82 117.00 131.03 1pm6 n LEU 52 Ca 0.43 -4.43 0.01 0.00 -1.11 0.00 0.00 56.01 50.91 1pm6 n LEU 52 Cb 0.47 -1.57 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 1pm6 n LEU 52 CO 0.72 1.11 0.34 0.21 -1.11 0.00 0.00 177.39 178.66 1pm6 s ASN 53 N 2.03 -1.02 -0.74 1.96 2.47 -1.26 -5.06 114.94 113.31 1pm6 s ASN 53 Ca 0.43 1.19 -0.01 0.00 0.42 0.00 0.00 52.86 54.89 1pm6 s ASN 53 Cb 0.08 2.08 0.00 0.00 -1.45 0.00 0.00 41.25 41.96 1pm6 s ASN 53 CO -0.01 -0.19 0.67 -1.14 -3.72 0.00 0.00 177.10 172.71 1pm6 n ARG 54 N 5.34 -1.43 -0.13 0.43 3.00 -1.26 -4.98 116.66 117.63 1pm6 n ARG 54 Ca -0.09 1.37 -0.12 0.00 -0.00 0.00 0.00 57.85 59.02 1pm6 n ARG 54 Cb 0.50 -4.99 0.00 0.00 0.00 0.00 0.00 32.46 27.98 1pm6 n ARG 54 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1pm6 h PRO 55 N 0.40 0.95 -4.80 -0.14 0.13 -1.97 -3.49 132.00 123.08 1pm6 h PRO 55 Ca -0.14 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1pm6 h PRO 55 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1pm6 h PRO 55 CO 0.31 1.11 -0.17 0.28 -0.23 0.00 0.00 178.00 179.30 1pm6 n VAL 56 N -4.08 -8.51 -2.66 1.56 0.31 -1.26 -4.92 118.33 98.76 1pm6 n VAL 56 Ca -0.01 0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 1pm6 n VAL 56 Cb 0.50 -6.33 -0.03 0.00 -0.91 0.00 0.00 33.84 27.07 1pm6 n VAL 56 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pm6 s THR 57 N -2.67 4.15 1.10 2.52 -4.23 -1.26 -5.01 115.64 110.24 1pm6 s THR 57 Ca 0.08 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1pm6 s THR 57 Cb -0.02 -4.98 0.24 0.00 1.34 0.00 0.00 72.50 69.07 1pm6 s THR 57 CO 0.59 -1.82 1.10 -0.83 -0.54 0.00 0.00 174.62 173.11 1pm6 s GLY 58 N 4.59 1.57 -0.27 3.99 0.00 -1.26 -5.11 107.32 110.83 1pm6 s GLY 58 Ca 0.42 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.33 1pm6 s GLY 58 CO -0.10 0.11 0.68 -0.56 0.00 0.00 0.00 173.10 173.24 1pm6 s SER 59 N -3.63 -0.89 -0.30 1.64 0.01 -1.26 -5.15 113.70 104.13 1pm6 s SER 59 Ca 0.68 1.48 -0.10 0.00 1.31 0.00 0.00 55.95 59.32 1pm6 s SER 59 Cb -0.15 1.38 -0.02 0.00 0.21 0.00 0.00 66.02 67.44 1pm6 s SER 59 CO 0.57 -0.24 0.16 -0.22 0.41 0.00 0.00 173.24 173.92 1pm6 s LEU 60 N 1.35 4.03 -0.01 2.44 0.20 -1.26 -5.09 118.68 120.33 1pm6 s LEU 60 Ca -0.08 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1pm6 s LEU 60 Cb -0.05 -2.04 0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1pm6 s LEU 60 CO -0.15 -0.13 0.00 -0.22 -0.29 0.00 0.00 176.35 175.56 1pm6 s LEU 61 N 1.67 1.52 -0.16 -0.68 2.96 -1.26 -5.16 118.68 117.57 1pm6 s LEU 61 Ca 0.06 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 1pm6 s LEU 61 Cb -0.16 -0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 1pm6 s LEU 61 CO 0.08 -0.06 0.15 -0.75 -1.32 0.00 0.00 176.35 174.45 1pm6 s LYS 62 N 0.55 3.89 -0.99 1.98 2.20 -1.26 -5.05 119.74 121.06 1pm6 s LYS 62 Ca -0.05 -0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 1pm6 s LYS 62 Cb -0.07 -3.32 0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1pm6 s LYS 62 CO -0.01 0.50 1.48 0.50 -0.36 0.00 0.00 175.35 177.45 1pm6 s ARG 63 N -0.23 3.48 0.34 4.03 6.06 -1.26 -5.01 118.95 126.37 1pm6 s ARG 63 Ca 0.12 -1.00 -0.23 0.00 -2.50 0.00 0.00 55.73 52.13 1pm6 s ARG 63 Cb -0.12 -5.26 -0.10 0.00 0.06 0.00 0.00 34.95 29.53 1pm6 s ARG 63 CO 0.01 -2.30 0.89 0.96 -2.50 0.00 0.00 175.30 172.37 1pm6 s ILE 64 N 5.43 4.36 -0.13 4.11 -0.00 -1.26 -5.10 121.20 128.61 1pm6 s ILE 64 Ca 0.47 1.57 -0.16 0.00 -0.00 0.00 0.00 60.65 62.53 1pm6 s ILE 64 Cb -0.01 -3.83 0.04 0.00 -0.00 0.00 0.00 42.46 38.66 1pm6 s ILE 64 CO -0.08 -0.01 0.43 0.00 -0.00 0.00 0.00 174.94 175.29 1pm6 s ARG 65 N -2.45 0.58 -0.11 0.37 3.03 -1.26 -5.17 118.95 113.95 1pm6 s ARG 65 Ca 0.53 0.43 0.01 0.00 2.03 0.00 0.00 55.73 58.73 1pm6 s ARG 65 Cb -0.15 0.28 -0.01 0.00 -1.03 0.00 0.00 34.95 34.03 1pm6 s ARG 65 CO 0.20 -0.10 -0.15 0.54 -1.13 0.00 0.00 175.30 174.65 1pm6 s ASN 66 N -0.17 3.85 0.00 -2.89 2.20 -1.26 -5.09 114.94 111.58 1pm6 s ASN 66 Ca -0.03 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 1pm6 s ASN 66 Cb -0.03 -1.42 0.00 0.00 -2.00 0.00 0.00 41.25 37.80 1pm6 s ASN 66 CO 0.02 0.20 0.00 0.61 -2.94 0.00 0.00 177.10 174.99 1pm6 n GLY 67 N 3.30 0.80 1.19 0.45 0.00 -1.26 -5.13 105.19 104.54 1pm6 n GLY 67 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1pm6 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pm6 n LYS 68 N -0.39 -2.17 -3.17 1.61 0.00 -1.26 -5.01 118.16 107.77 1pm6 n LYS 68 Ca 0.00 1.85 -0.39 0.00 0.00 0.00 0.00 58.31 59.77 1pm6 n LYS 68 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 35.03 33.22 1pm6 n LYS 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1pm6 s LYS 69 N -1.97 4.39 -0.04 1.64 2.20 -1.26 -5.02 119.74 119.68 1pm6 s LYS 69 Ca 0.00 0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 56.27 1pm6 s LYS 69 Cb 0.00 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1pm6 s LYS 69 CO 0.00 0.11 -0.05 0.00 -0.36 0.00 0.00 175.35 175.05 1pm6 n ALA 70 N 3.70 0.14 -0.85 3.13 0.00 -1.26 -5.15 120.51 120.22 1pm6 n ALA 70 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pm6 n ALA 70 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1pm6 n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pm6 n LYS 71 N -2.85 -2.43 -0.64 0.00 5.02 -1.26 -5.38 118.16 110.61 1pm6 n LYS 71 Ca -0.02 1.81 0.00 0.00 -2.02 0.00 0.00 58.31 58.08 1pm6 n LYS 71 Cb 0.08 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1pm6 n LYS 71 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33