#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 n TYR 2 N 0.00 -0.07 -3.16 2.03 4.01 -1.26 -5.04 117.16 113.68 1pm6 n TYR 2 Ca 0.00 0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 1pm6 n TYR 2 Cb 0.00 -1.46 -0.06 0.00 -0.31 0.00 0.00 39.34 37.51 1pm6 n TYR 2 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pm6 s LEU 3 N -1.16 4.55 0.60 7.72 2.96 0.14 -4.86 118.68 128.63 1pm6 s LEU 3 Ca 0.00 1.42 -0.19 0.00 -0.22 0.00 0.00 54.13 55.14 1pm6 s LEU 3 Cb 0.00 -3.08 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1pm6 s LEU 3 CO 0.00 0.24 1.19 -0.89 -1.32 0.00 0.00 176.35 175.57 1pm6 s THR 4 N -1.14 2.72 0.16 3.68 2.01 -1.26 -0.70 115.64 121.11 1pm6 s THR 4 Ca 0.32 0.44 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 1pm6 s THR 4 Cb -0.21 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.24 1pm6 s THR 4 CO 0.22 -0.11 1.67 0.25 -0.69 0.00 0.00 174.62 175.96 1pm6 h LEU 5 N 0.83 -0.38 -0.60 4.42 6.46 -1.96 0.21 115.31 124.30 1pm6 h LEU 5 Ca -0.50 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.43 1pm6 h LEU 5 Cb 1.29 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 41.42 1pm6 h LEU 5 CO 0.55 -0.14 0.32 1.56 -0.62 0.00 0.00 178.44 180.11 1pm6 h GLN 6 N -0.01 0.58 -0.60 1.25 1.08 -1.94 -1.97 115.11 113.50 1pm6 h GLN 6 Ca 0.19 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1pm6 h GLN 6 Cb 0.29 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1pm6 h GLN 6 CO -0.40 0.38 0.04 0.93 -0.95 0.00 0.00 178.83 178.84 1pm6 h GLU 7 N 0.60 1.01 -0.04 1.46 4.39 -1.83 -1.56 114.58 118.61 1pm6 h GLU 7 Ca 0.27 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1pm6 h GLU 7 Cb 0.17 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1pm6 h GLU 7 CO -0.17 0.97 -0.26 2.35 -1.16 0.00 0.00 179.01 180.73 1pm6 h TRP 8 N 0.94 -0.69 -0.74 4.33 7.01 -0.50 -0.38 115.95 125.92 1pm6 h TRP 8 Ca 0.18 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 1pm6 h TRP 8 Cb 0.48 0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 1pm6 h TRP 8 CO 0.03 -0.35 0.27 -0.97 -2.79 0.00 0.00 178.44 174.63 1pm6 h ASN 9 N -0.38 1.04 -0.03 2.65 -1.24 -1.36 -1.70 115.58 114.56 1pm6 h ASN 9 Ca 0.07 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1pm6 h ASN 9 Cb 0.48 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1pm6 h ASN 9 CO -0.25 0.95 -0.07 0.00 -1.29 0.00 0.00 177.43 176.77 1pm6 h ALA 10 N 1.13 1.57 0.00 1.57 0.00 -1.30 -3.14 119.26 119.10 1pm6 h ALA 10 Ca 0.24 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1pm6 h ALA 10 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pm6 h ALA 10 CO -0.01 0.31 -0.53 0.00 0.00 0.00 0.00 179.25 179.01 1pm6 h ARG 11 N 0.24 0.00 -6.92 0.00 -0.00 -0.78 -3.46 114.38 103.47 1pm6 h ARG 11 Ca 0.05 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.00 1pm6 h ARG 11 Cb 0.29 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.35 1pm6 h ARG 11 CO 0.01 0.53 0.69 -0.65 0.00 0.00 0.00 179.97 180.55 1pm6 s GLN 12 N -3.77 4.15 0.24 0.04 -1.52 -0.67 -4.97 119.66 113.16 1pm6 s GLN 12 Ca -0.02 2.34 -0.05 0.00 -1.95 0.00 0.00 55.36 55.69 1pm6 s GLN 12 Cb 0.13 -2.94 0.44 0.00 -0.22 0.00 0.00 33.01 30.42 1pm6 s GLN 12 CO 0.75 -0.41 1.72 -0.09 -0.25 0.00 0.00 175.29 177.00 1pm6 h ARG 13 N 3.04 0.37 -4.66 2.91 2.43 -1.88 -3.33 114.38 113.26 1pm6 h ARG 13 Ca -0.50 -0.02 -0.69 0.00 -0.81 0.00 0.00 59.98 57.96 1pm6 h ARG 13 Cb 1.24 -0.08 -0.21 0.00 -0.42 0.00 0.00 29.97 30.49 1pm6 h ARG 13 CO 0.64 0.24 -0.49 0.50 -1.51 0.00 0.00 179.97 179.36 1pm6 s ARG 14 N -6.03 3.24 -0.64 0.20 6.06 -1.26 -5.07 118.95 115.45 1pm6 s ARG 14 Ca -0.13 -0.81 -0.27 0.00 -2.50 0.00 0.00 55.73 52.02 1pm6 s ARG 14 Cb 0.20 -3.78 -0.00 0.00 0.06 0.00 0.00 34.95 31.43 1pm6 s ARG 14 CO 0.76 -0.55 1.65 -1.25 -2.50 0.00 0.00 175.30 173.41 1pm6 s PRO 15 N 1.66 2.87 0.58 5.12 0.04 -1.25 -4.99 135.00 139.02 1pm6 s PRO 15 Ca 0.05 0.36 -0.07 0.00 0.04 0.00 0.00 61.00 61.38 1pm6 s PRO 15 Cb -0.18 -4.30 0.13 0.00 0.04 0.00 0.00 34.50 30.19 1pm6 s PRO 15 CO 0.09 -2.47 0.79 0.54 0.04 0.00 0.00 177.00 175.99 1pm6 n ARG 16 N 9.18 -0.50 -2.39 4.56 1.74 -1.26 -5.05 116.66 122.94 1pm6 n ARG 16 Ca 0.15 -1.49 -0.42 0.00 -0.77 0.00 0.00 57.85 55.32 1pm6 n ARG 16 Cb 0.51 -0.73 -0.03 0.00 -1.02 0.00 0.00 32.46 31.18 1pm6 n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pm6 s SER 17 N -3.99 7.07 0.25 0.55 0.01 -1.26 -4.98 113.70 111.36 1pm6 s SER 17 Ca 0.47 2.13 -0.03 0.00 1.31 0.00 0.00 55.95 59.82 1pm6 s SER 17 Cb -0.02 -2.59 0.39 0.00 0.21 0.00 0.00 66.02 64.01 1pm6 s SER 17 CO 0.32 -0.44 1.86 -0.07 0.41 0.00 0.00 173.24 175.32 1pm6 h LEU 18 N 6.15 0.91 -0.95 2.44 3.38 -1.99 -1.72 115.31 123.52 1pm6 h LEU 18 Ca -0.43 0.02 0.15 0.00 0.09 0.00 0.00 57.88 57.71 1pm6 h LEU 18 Cb 1.21 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1pm6 h LEU 18 CO 0.79 0.57 0.56 1.05 0.09 0.00 0.00 178.44 181.49 1pm6 h GLU 19 N 1.04 0.79 -0.20 1.13 4.11 -1.99 -0.74 114.58 118.71 1pm6 h GLU 19 Ca 0.41 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.76 1pm6 h GLU 19 Cb 0.22 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1pm6 h GLU 19 CO -0.19 0.52 0.00 1.15 0.07 0.00 0.00 179.01 180.57 1pm6 h THR 20 N 0.81 1.25 -0.63 -1.06 2.02 -1.73 -1.37 112.91 112.19 1pm6 h THR 20 Ca 0.51 -0.86 0.10 0.00 0.77 0.00 0.00 66.41 66.93 1pm6 h THR 20 Cb 0.65 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 1pm6 h THR 20 CO -0.33 0.26 0.24 0.58 0.37 0.00 0.00 175.52 176.65 1pm6 h VAL 21 N 0.12 0.76 -0.81 3.16 2.07 -1.35 -0.50 116.25 119.70 1pm6 h VAL 21 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1pm6 h VAL 21 Cb 0.39 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1pm6 h VAL 21 CO 0.01 0.08 0.45 -0.09 0.02 0.00 0.00 177.57 178.04 1pm6 h ARG 22 N 0.42 1.12 -0.87 1.57 1.12 -1.13 -1.92 114.38 114.69 1pm6 h ARG 22 Ca 0.32 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1pm6 h ARG 22 Cb 0.41 -0.22 -0.04 0.00 -0.01 0.00 0.00 29.97 30.10 1pm6 h ARG 22 CO -0.32 0.82 0.56 0.00 -3.11 0.00 0.00 179.97 177.92 1pm6 h ARG 23 N 1.12 1.16 -1.01 0.20 3.08 -0.98 -1.55 114.38 116.41 1pm6 h ARG 23 Ca 0.29 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.35 1pm6 h ARG 23 Cb 0.01 -0.26 -0.08 0.00 0.08 0.00 0.00 29.97 29.73 1pm6 h ARG 23 CO -0.05 0.78 0.64 -1.49 -1.07 0.00 0.00 179.97 178.79 1pm6 h TRP 24 N 1.19 1.18 -0.23 3.04 6.55 -0.95 -1.53 115.95 125.19 1pm6 h TRP 24 Ca 0.32 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.18 1pm6 h TRP 24 Cb -0.11 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 27.80 1pm6 h TRP 24 CO -0.01 0.54 0.09 0.28 -1.05 0.00 0.00 178.44 178.29 1pm6 h VAL 25 N 1.09 1.17 -0.90 1.49 2.07 -1.18 0.09 116.25 120.08 1pm6 h VAL 25 Ca 0.47 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1pm6 h VAL 25 Cb 0.33 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1pm6 h VAL 25 CO -0.22 0.17 0.54 0.03 0.02 0.00 0.00 177.57 178.11 1pm6 h ARG 26 N 0.22 0.87 -0.91 1.57 3.08 -1.10 -1.89 114.38 116.22 1pm6 h ARG 26 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pm6 h ARG 26 Cb 0.18 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1pm6 h ARG 26 CO -0.01 0.58 0.01 0.39 -1.07 0.00 0.00 179.97 179.87 1pm6 n GLU 27 N -4.68 1.85 -4.01 0.04 1.02 -0.59 -4.97 120.64 109.30 1pm6 n GLU 27 Ca 0.15 -0.70 -0.29 0.00 -0.02 0.00 0.00 57.16 56.30 1pm6 n GLU 27 Cb 0.29 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pm6 n SER 28 N 0.14 -2.14 -0.12 1.62 2.88 -0.71 -4.95 113.62 110.34 1pm6 n SER 28 Ca 0.07 -0.95 -0.19 0.00 -1.33 0.00 0.00 58.87 56.46 1pm6 n SER 28 Cb 0.48 -3.19 -0.12 0.00 -0.75 0.00 0.00 64.21 60.63 1pm6 n SER 28 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pm6 n ARG 29 N -4.44 0.65 -2.58 -1.46 0.63 -0.01 -4.84 116.66 104.62 1pm6 n ARG 29 Ca -0.12 0.17 -0.43 0.00 -0.92 0.00 0.00 57.85 56.54 1pm6 n ARG 29 Cb 0.59 -1.53 -0.02 0.00 0.45 0.00 0.00 32.46 31.95 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pm6 s ILE 30 N -2.52 4.42 -0.04 5.15 1.01 -1.26 -1.14 121.20 126.83 1pm6 s ILE 30 Ca -0.34 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.00 1pm6 s ILE 30 Cb 0.09 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 1pm6 s ILE 30 CO 0.61 -0.43 -0.16 0.12 0.00 0.00 0.00 174.94 175.08 1pm6 s PHE 31 N 3.76 1.57 0.59 3.97 5.36 -0.18 -3.82 117.98 129.24 1pm6 s PHE 31 Ca 0.48 -0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 55.84 1pm6 s PHE 31 Cb -0.14 -1.07 -0.04 0.00 -0.34 0.00 0.00 43.02 41.44 1pm6 s PHE 31 CO 0.16 -0.15 1.12 -1.25 -1.46 0.00 0.00 175.22 173.65 1pm6 s PRO 32 N 0.04 3.15 0.41 10.12 0.04 -1.26 -2.06 135.00 145.43 1pm6 s PRO 32 Ca -0.03 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 1pm6 s PRO 32 Cb -0.11 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1pm6 s PRO 32 CO 0.02 -1.00 1.28 -1.25 0.04 0.00 0.00 177.00 176.09 1pm6 s PRO 33 N -3.61 3.95 0.49 0.56 0.04 -1.25 -4.69 135.00 130.48 1pm6 s PRO 33 Ca 0.70 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 63.61 1pm6 s PRO 33 Cb -0.22 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 1pm6 s PRO 33 CO 0.33 -0.49 1.20 -1.25 0.04 0.00 0.00 177.00 176.83 1pm6 s PRO 34 N -2.29 3.59 -0.42 0.56 0.04 -1.26 -4.89 135.00 130.33 1pm6 s PRO 34 Ca 0.58 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 1pm6 s PRO 34 Cb -0.36 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1pm6 s PRO 34 CO 0.47 -0.72 1.19 0.08 0.04 0.00 0.00 177.00 178.06 1pm6 s VAL 35 N -1.51 4.21 -0.70 -0.36 1.01 0.03 -4.71 120.40 118.38 1pm6 s VAL 35 Ca 0.66 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.67 1pm6 s VAL 35 Cb -0.31 -4.45 0.04 0.00 0.00 0.00 0.00 36.38 31.66 1pm6 s VAL 35 CO 0.37 -0.81 1.18 -0.75 0.00 0.00 0.00 175.10 175.09 1pm6 s LYS 36 N 4.34 3.21 -1.09 2.72 2.36 -1.26 -1.40 119.74 128.62 1pm6 s LYS 36 Ca 0.51 -0.33 -0.16 0.00 -2.55 0.00 0.00 55.97 53.44 1pm6 s LYS 36 Cb -0.10 -4.17 0.16 0.00 -1.05 0.00 0.00 37.83 32.67 1pm6 s LYS 36 CO 0.28 -1.99 1.30 -0.51 1.55 0.00 0.00 175.35 175.98 1pm6 s ASP 37 N 3.60 6.90 0.00 1.43 1.11 -0.21 -4.76 116.67 124.75 1pm6 s ASP 37 Ca 0.33 -2.63 0.00 0.00 0.18 0.00 0.00 52.55 50.42 1pm6 s ASP 37 Cb -0.10 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1pm6 s ASP 37 CO 0.15 -0.86 0.00 0.61 1.18 0.00 0.00 175.17 176.25 1pm6 n GLY 38 N 4.62 1.27 0.00 0.21 0.00 -1.26 -3.46 105.19 106.57 1pm6 n GLY 38 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1pm6 n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pm6 n ARG 39 N 0.00 0.03 -2.64 1.61 1.85 -1.26 -5.12 116.66 111.13 1pm6 n ARG 39 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1pm6 n ARG 39 Cb 0.00 -0.58 -0.05 0.00 -1.05 0.00 0.00 32.46 30.78 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1pm6 s GLU 40 N -1.16 4.58 -0.29 2.89 8.01 -1.23 -5.03 118.70 126.47 1pm6 s GLU 40 Ca 0.00 1.54 -0.10 0.00 0.01 0.00 0.00 54.97 56.42 1pm6 s GLU 40 Cb 0.00 -2.97 -0.03 0.00 -4.31 0.00 0.00 34.13 26.82 1pm6 s GLU 40 CO 0.00 0.23 0.16 0.71 0.01 0.00 0.00 175.26 176.37 1pm6 s TYR 41 N -1.39 3.18 -0.39 1.61 2.02 -1.26 -1.04 117.35 120.07 1pm6 s TYR 41 Ca 0.48 -0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 56.79 1pm6 s TYR 41 Cb -0.25 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 38.96 1pm6 s TYR 41 CO 0.31 -0.32 0.30 -0.51 -1.57 0.00 0.00 175.55 173.76 1pm6 s LEU 42 N 1.68 4.95 0.51 -1.29 1.43 -0.49 -3.58 118.68 121.90 1pm6 s LEU 42 Ca 0.06 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1pm6 s LEU 42 Cb -0.16 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 1pm6 s LEU 42 CO 0.08 -0.41 0.95 -0.36 0.23 0.00 0.00 176.35 176.85 1pm6 s PHE 43 N 1.72 3.48 0.29 0.29 0.40 0.12 -0.79 117.98 123.50 1pm6 s PHE 43 Ca 0.06 1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 57.45 1pm6 s PHE 43 Cb -0.18 -2.71 -0.10 0.00 0.51 0.00 0.00 43.02 40.54 1pm6 s PHE 43 CO 0.10 -0.37 1.10 -1.58 0.70 0.00 0.00 175.22 175.17 1pm6 s HIS 44 N -2.67 3.57 0.50 0.36 2.46 -1.26 0.27 115.29 118.52 1pm6 s HIS 44 Ca 0.57 1.70 0.31 0.00 0.47 0.00 0.00 55.06 58.11 1pm6 s HIS 44 Cb -0.10 -3.27 1.42 0.00 -0.13 0.00 0.00 32.58 30.50 1pm6 s HIS 44 CO 0.35 -0.55 1.80 1.05 -2.47 0.00 0.00 174.74 174.92 1pm6 h GLU 45 N 3.75 0.11 -0.98 2.88 4.11 -1.92 -1.25 114.58 121.27 1pm6 h GLU 45 Ca -0.47 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 58.66 1pm6 h GLU 45 Cb 1.21 -0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.26 1pm6 h GLU 45 CO 0.67 0.07 0.38 0.45 0.07 0.00 0.00 179.01 180.65 1pm6 n SER 46 N -4.32 3.50 -4.74 3.06 2.88 -1.26 -4.99 113.62 107.75 1pm6 n SER 46 Ca 0.25 -2.96 -0.38 0.00 -1.33 0.00 0.00 58.87 54.45 1pm6 n SER 46 Cb 1.13 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 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 -2.04 3.47 0.04 -1.46 0.00 -0.48 -4.69 121.76 116.61 1pm6 s ALA 47 Ca 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1pm6 s ALA 47 Cb 0.29 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1pm6 s ALA 47 CO 0.07 0.06 -0.05 0.14 0.00 0.00 0.00 175.76 175.98 1pm6 s VAL 48 N 0.34 0.33 -0.35 0.00 -7.23 -0.88 -4.90 120.40 107.70 1pm6 s VAL 48 Ca 0.29 -1.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1pm6 s VAL 48 Cb -0.16 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.02 1pm6 s VAL 48 CO 0.13 -0.60 1.23 -1.59 -0.31 0.00 0.00 175.10 173.96 1pm6 s LYS 49 N -2.23 3.88 -0.01 4.82 0.00 -1.26 -1.01 119.74 123.92 1pm6 s LYS 49 Ca -0.07 1.04 -0.30 0.00 0.00 0.00 0.00 55.97 56.65 1pm6 s LYS 49 Cb -0.05 -3.87 -0.03 0.00 0.00 0.00 0.00 37.83 33.88 1pm6 s LYS 49 CO -0.03 -1.17 1.03 0.54 0.00 0.00 0.00 175.35 175.72 1pm6 s VAL 50 N 4.35 4.69 -1.11 1.79 0.11 -0.29 -4.97 120.40 124.97 1pm6 s VAL 50 Ca 0.53 1.94 -0.22 0.00 -2.93 0.00 0.00 61.98 61.30 1pm6 s VAL 50 Cb -0.13 -4.24 -0.00 0.00 -1.53 0.00 0.00 36.38 30.47 1pm6 s VAL 50 CO 0.24 0.12 1.77 -0.62 -3.33 0.00 0.00 175.10 173.28 1pm6 s ASP 51 N 1.06 5.88 -0.82 3.54 -1.08 -1.26 -4.88 116.67 119.11 1pm6 s ASP 51 Ca 0.53 -1.61 -0.25 0.00 -0.52 0.00 0.00 52.55 50.70 1pm6 s ASP 51 Cb -0.22 -2.58 0.01 0.00 -1.46 0.00 0.00 42.92 38.68 1pm6 s ASP 51 CO 0.26 -2.13 1.54 -0.76 0.52 0.00 0.00 175.17 174.60 1pm6 s LEU 52 N 7.59 3.28 -0.13 -1.34 1.43 -1.26 -4.94 118.68 123.31 1pm6 s LEU 52 Ca 0.60 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1pm6 s LEU 52 Cb -0.01 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.71 1pm6 s LEU 52 CO 0.03 -1.99 0.32 0.21 0.23 0.00 0.00 176.35 175.15 1pm6 s ASN 53 N 5.58 -0.35 -0.37 2.29 2.47 -1.26 -5.16 114.94 118.14 1pm6 s ASN 53 Ca 0.50 0.69 -0.17 0.00 0.42 0.00 0.00 52.86 54.30 1pm6 s ASN 53 Cb -0.06 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1pm6 s ASN 53 CO 0.07 -0.18 0.43 -0.60 -3.72 0.00 0.00 177.10 173.10 1pm6 s ARG 54 N 1.38 3.41 0.20 0.43 6.06 -1.26 -5.08 118.95 124.09 1pm6 s ARG 54 Ca -0.09 -0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 52.37 1pm6 s ARG 54 Cb -0.10 -3.87 -0.08 0.00 0.06 0.00 0.00 34.95 30.97 1pm6 s ARG 54 CO -0.10 -0.68 1.07 -1.25 -2.50 0.00 0.00 175.30 171.84 1pm6 s PRO 55 N 2.17 4.64 -0.17 5.12 0.04 -1.26 -5.06 135.00 140.48 1pm6 s PRO 55 Ca 0.14 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 1pm6 s PRO 55 Cb -0.16 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.17 1pm6 s PRO 55 CO 0.13 0.16 0.40 0.54 0.04 0.00 0.00 177.00 178.26 1pm6 s VAL 56 N -0.49 -0.07 -0.11 -0.36 0.11 -1.26 -5.17 120.40 113.04 1pm6 s VAL 56 Ca 0.47 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.51 1pm6 s VAL 56 Cb -0.29 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1pm6 s VAL 56 CO 0.35 0.04 0.32 0.28 -3.33 0.00 0.00 175.10 172.77 1pm6 s THR 57 N 1.49 0.01 -0.28 5.04 -1.32 -1.26 -5.18 115.64 114.14 1pm6 s THR 57 Ca -0.09 -0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 1pm6 s THR 57 Cb -0.09 -0.49 0.09 0.00 -1.51 0.00 0.00 72.50 70.50 1pm6 s THR 57 CO -0.12 -0.04 0.76 -0.83 -2.21 0.00 0.00 174.62 172.17 1pm6 s GLY 58 N -0.07 -0.49 -0.05 6.08 0.00 -1.26 -5.18 107.32 106.35 1pm6 s GLY 58 Ca -0.02 2.39 -0.05 0.00 0.00 0.00 0.00 44.72 47.03 1pm6 s GLY 58 CO 0.01 2.15 0.15 -0.45 0.00 0.00 0.00 173.10 174.96 1pm6 s SER 59 N 1.04 -0.15 -0.05 1.64 0.15 -1.26 -5.17 113.70 109.91 1pm6 s SER 59 Ca -0.05 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 1pm6 s SER 59 Cb -0.05 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1pm6 s SER 59 CO -0.11 -0.07 0.04 -0.22 1.20 0.00 0.00 173.24 174.08 1pm6 s LEU 60 N 0.01 0.44 -0.26 3.45 0.20 -1.26 -5.14 118.68 116.13 1pm6 s LEU 60 Ca -0.01 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.85 1pm6 s LEU 60 Cb -0.01 -0.22 0.07 0.00 -0.43 0.00 0.00 46.19 45.60 1pm6 s LEU 60 CO 0.00 -0.21 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.07 1pm6 s LEU 61 N 1.91 2.94 -0.21 -0.68 1.43 -1.26 -5.12 118.68 117.69 1pm6 s LEU 61 Ca 0.02 -1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 51.61 1pm6 s LEU 61 Cb -0.12 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1pm6 s LEU 61 CO -0.03 -0.27 0.23 -0.75 0.23 0.00 0.00 176.35 175.76 1pm6 s LYS 62 N 1.32 4.16 0.18 1.70 2.20 -1.26 -5.09 119.74 122.95 1pm6 s LYS 62 Ca -0.02 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 1pm6 s LYS 62 Cb -0.19 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1pm6 s LYS 62 CO -0.08 0.12 0.95 -0.98 -0.36 0.00 0.00 175.35 175.00 1pm6 s ARG 63 N 0.86 4.78 -0.65 4.03 1.04 -1.26 -5.04 118.95 122.71 1pm6 s ARG 63 Ca 0.12 1.48 0.05 0.00 -1.04 0.00 0.00 55.73 56.34 1pm6 s ARG 63 Cb -0.13 -3.32 0.16 0.00 -2.04 0.00 0.00 34.95 29.62 1pm6 s ARG 63 CO 0.04 0.38 0.43 -1.50 -0.04 0.00 0.00 175.30 174.60 1pm6 s ILE 64 N -0.66 2.78 -0.17 4.99 1.10 -1.26 -5.10 121.20 122.88 1pm6 s ILE 64 Ca 0.44 -3.99 -0.04 0.00 -0.51 0.00 0.00 60.65 56.55 1pm6 s ILE 64 Cb -0.25 -2.85 -0.03 0.00 0.15 0.00 0.00 42.46 39.48 1pm6 s ILE 64 CO 0.31 -0.95 -0.03 -0.60 -2.11 0.00 0.00 174.94 171.56 1pm6 s ARG 65 N -1.11 3.64 0.37 3.50 3.52 -1.26 -5.13 118.95 122.48 1pm6 s ARG 65 Ca 0.23 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1pm6 s ARG 65 Cb -0.10 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1pm6 s ARG 65 CO -0.12 0.16 0.21 1.21 -0.81 0.00 0.00 175.30 175.95 1pm6 s ASN 66 N 0.58 4.76 0.00 -2.12 3.84 -1.26 -5.17 114.94 115.57 1pm6 s ASN 66 Ca -0.02 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.25 1pm6 s ASN 66 Cb -0.14 -0.68 0.00 0.00 -0.55 0.00 0.00 41.25 39.88 1pm6 s ASN 66 CO 0.02 -0.41 0.00 0.61 -2.79 0.00 0.00 177.10 174.53 1pm6 n GLY 67 N -1.26 2.15 2.83 1.21 0.00 -1.26 -5.16 105.19 103.70 1pm6 n GLY 67 Ca -0.01 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.14 0.01 -0.31 1.61 2.47 -1.26 -5.14 119.74 116.98 1pm6 s LYS 68 Ca 0.00 0.29 0.03 0.00 -1.56 0.00 0.00 55.97 54.74 1pm6 s LYS 68 Cb 0.00 -0.24 0.08 0.00 -1.46 0.00 0.00 37.83 36.21 1pm6 s LYS 68 CO 0.00 -0.19 -0.01 -1.59 0.16 0.00 0.00 175.35 173.72 1pm6 s LYS 69 N 1.25 1.80 -0.06 4.03 0.00 -1.26 -5.11 119.74 120.40 1pm6 s LYS 69 Ca -0.08 -1.66 -0.07 0.00 0.00 0.00 0.00 55.97 54.16 1pm6 s LYS 69 Cb -0.12 -3.09 0.02 0.00 0.00 0.00 0.00 37.83 34.64 1pm6 s LYS 69 CO -0.04 -0.79 0.18 0.00 0.00 0.00 0.00 175.35 174.70 1pm6 s ALA 70 N 0.99 -0.45 0.05 0.59 0.00 -1.26 -5.16 121.76 116.52 1pm6 s ALA 70 Ca 0.03 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1pm6 s ALA 70 Cb -0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1pm6 s ALA 70 CO -0.07 -0.11 0.99 0.15 0.00 0.00 0.00 175.76 176.72 1pm6 s LYS 71 N -0.19 4.61 0.00 0.00 1.02 -1.26 -5.37 119.74 118.55 1pm6 s LYS 71 Ca -0.03 1.46 0.27 0.00 0.02 0.00 0.00 55.97 57.69 1pm6 s LYS 71 Cb -0.02 -3.42 1.63 0.00 -0.52 0.00 0.00 37.83 35.50 1pm6 s LYS 71 CO 0.01 0.04 1.98 -1.13 -0.92 0.00 0.00 175.35 175.33