#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmx s PRO 2 N 0.00 3.45 -0.41 1.61 0.04 -1.26 -5.02 135.00 133.41 1pmx s PRO 2 Ca 0.00 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1pmx s PRO 2 Cb 0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1pmx s PRO 2 CO 0.00 -0.72 0.38 -1.21 0.04 0.00 0.00 177.00 175.50 1pmx s GLU 3 N -3.70 3.09 0.20 4.56 2.02 -1.26 -5.05 118.70 118.56 1pmx s GLU 3 Ca 0.66 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.84 1pmx s GLU 3 Cb -0.17 -3.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.05 1pmx s GLU 3 CO 0.30 -0.79 0.05 0.95 0.02 0.00 0.00 175.26 175.79 1pmx s THR 4 N 1.97 0.52 -0.18 3.63 -4.23 -1.26 -4.19 115.64 111.90 1pmx s THR 4 Ca 0.10 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1pmx s THR 4 Cb -0.18 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.39 1pmx s THR 4 CO 0.12 -0.28 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.58 1pmx s LEU 5 N -3.20 2.12 0.07 4.79 2.96 -1.24 -5.02 118.68 119.16 1pmx s LEU 5 Ca 0.30 -0.77 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1pmx s LEU 5 Cb 0.07 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1pmx s LEU 5 CO 0.08 -0.11 0.01 0.00 -1.32 0.00 0.00 176.35 175.00 1pmx n GLY 7 N 0.05 0.63 0.32 0.00 0.00 -1.26 -3.19 105.19 101.73 1pmx n GLY 7 Ca -0.12 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.20 1pmx n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pmx h ALA 8 N -0.50 2.11 -0.96 4.61 0.00 -1.99 -1.44 119.26 121.08 1pmx h ALA 8 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pmx h ALA 8 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1pmx h ALA 8 CO 0.00 -0.17 0.60 0.93 0.00 0.00 0.00 179.25 180.61 1pmx h GLU 9 N 0.14 1.30 -0.28 0.00 5.08 -1.95 0.83 114.58 119.69 1pmx h GLU 9 Ca 0.14 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1pmx h GLU 9 Cb 0.37 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1pmx h GLU 9 CO -0.02 0.89 -0.19 1.25 -1.00 0.00 0.00 179.01 179.94 1pmx h LEU 10 N 1.32 0.66 -0.74 1.33 5.85 -1.33 -2.10 115.31 120.31 1pmx h LEU 10 Ca 0.35 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1pmx h LEU 10 Cb -0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1pmx h LEU 10 CO -0.07 0.95 -0.60 0.58 -0.34 0.00 0.00 178.44 178.97 1pmx h VAL 11 N 0.37 1.41 -0.03 1.05 2.07 -1.17 -2.72 116.25 117.22 1pmx h VAL 11 Ca 0.06 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.44 1pmx h VAL 11 Cb 0.73 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1pmx h VAL 11 CO 0.05 0.58 -0.52 0.44 0.02 0.00 0.00 177.57 178.15 1pmx h ASP 12 N 0.08 0.10 -0.03 0.57 3.32 0.75 -1.94 116.42 119.27 1pmx h ASP 12 Ca -0.01 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1pmx h ASP 12 Cb 1.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1pmx h ASP 12 CO 0.08 0.60 -0.24 0.00 -1.72 0.00 0.00 179.24 177.97 1pmx h ALA 13 N 1.40 0.07 -0.09 3.45 0.00 -1.25 -1.78 119.26 121.06 1pmx h ALA 13 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pmx h ALA 13 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pmx h ALA 13 CO 0.07 0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1pmx h LEU 14 N -0.36 0.11 -1.56 0.00 3.38 -1.48 0.56 115.31 115.95 1pmx h LEU 14 Ca -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1pmx h LEU 14 Cb 0.92 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1pmx h LEU 14 CO 0.05 0.10 -0.19 0.06 0.09 0.00 0.00 178.44 178.56 1pmx h GLN 15 N 0.11 0.05 0.12 1.13 -0.00 -1.44 0.82 115.11 115.90 1pmx h GLN 15 Ca 0.03 -0.01 -0.27 0.00 -0.00 0.00 0.00 58.65 58.40 1pmx h GLN 15 Cb 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1pmx h GLN 15 CO -0.01 0.23 -1.23 0.35 -0.00 0.00 0.00 178.83 178.18 1pmx h PHE 16 N 0.04 0.52 0.00 0.06 3.57 -0.69 -1.76 116.94 118.68 1pmx h PHE 16 Ca 0.01 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 1pmx h PHE 16 Cb 0.36 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1pmx h PHE 16 CO 0.00 1.28 -0.35 0.28 -2.23 0.00 0.00 178.31 177.29 1pmx h VAL 17 N 0.09 0.34 0.01 1.41 2.07 0.50 -3.41 116.25 117.26 1pmx h VAL 17 Ca -0.13 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1pmx h VAL 17 Cb 1.95 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1pmx h VAL 17 CO 0.20 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 1pmx n GLY 19 N 1.31 2.55 0.16 0.00 0.00 -0.66 -2.26 105.19 106.27 1pmx n GLY 19 Ca -0.09 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1pmx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmx n ASP 20 N 10.11 0.47 0.08 1.61 8.00 -1.26 -3.77 116.55 131.79 1pmx n ASP 20 Ca 0.00 -1.79 -0.08 0.00 0.71 0.00 0.00 54.79 53.63 1pmx n ASP 20 Cb 0.00 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1pmx h ARG 21 N 0.56 0.20 -1.64 -1.24 2.47 -1.74 -3.46 114.38 109.52 1pmx h ARG 21 Ca 0.00 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1pmx h ARG 21 Cb 0.12 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1pmx h ARG 21 CO 0.00 0.93 0.00 0.41 0.56 0.00 0.00 179.97 181.87 1pmx n GLY 22 N 0.80 -0.58 3.83 0.04 0.00 -1.25 -3.97 105.19 104.06 1pmx n GLY 22 Ca -0.03 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1pmx n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pmx s PHE 23 N -0.37 3.27 -0.04 1.61 -0.12 -1.26 -3.81 117.98 117.27 1pmx s PHE 23 Ca 0.00 1.42 0.01 0.00 -0.05 0.00 0.00 56.93 58.31 1pmx s PHE 23 Cb 0.00 -2.85 0.02 0.00 -0.63 0.00 0.00 43.02 39.56 1pmx s PHE 23 CO 0.00 -0.92 -0.04 1.52 -0.05 0.00 0.00 175.22 175.73 1pmx s TYR 24 N -2.88 0.69 0.01 3.49 -0.85 -1.25 -5.03 117.35 111.53 1pmx s TYR 24 Ca 0.59 -0.18 -0.25 0.00 -0.52 0.00 0.00 57.07 56.71 1pmx s TYR 24 Cb -0.13 -0.60 -0.18 0.00 0.38 0.00 0.00 41.96 41.43 1pmx s TYR 24 CO 0.47 -0.16 1.31 0.74 -1.52 0.00 0.00 175.55 176.39 1pmx h PHE 25 N 7.00 -0.16 -3.08 -3.49 -1.00 -1.98 -3.42 116.94 110.81 1pmx h PHE 25 Ca -0.38 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 59.83 1pmx h PHE 25 Cb 1.16 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.72 1pmx h PHE 25 CO 0.49 0.18 0.95 -0.80 -1.61 0.00 0.00 178.31 177.52 1pmx s ASN 26 N -5.36 6.76 -0.48 2.17 0.02 -1.26 -3.21 114.94 113.58 1pmx s ASN 26 Ca -0.15 1.34 -0.03 0.00 -1.02 0.00 0.00 52.86 53.00 1pmx s ASN 26 Cb 0.02 -2.54 0.13 0.00 0.02 0.00 0.00 41.25 38.88 1pmx s ASN 26 CO 0.61 -0.98 0.29 -0.75 0.02 0.00 0.00 177.10 176.29 1pmx s LYS 27 N 3.96 2.22 1.02 -0.60 2.20 -1.26 -5.08 119.74 122.21 1pmx s LYS 27 Ca 0.55 -2.05 -0.14 0.00 -0.36 0.00 0.00 55.97 53.98 1pmx s LYS 27 Cb -0.18 -3.66 0.20 0.00 -1.51 0.00 0.00 37.83 32.68 1pmx s LYS 27 CO 0.20 -1.12 1.12 -1.25 -0.36 0.00 0.00 175.35 173.94 1pmx s PRO 28 N 0.77 0.25 0.19 4.03 0.04 -1.26 -4.91 135.00 134.10 1pmx s PRO 28 Ca 0.11 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1pmx s PRO 28 Cb -0.22 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1pmx s PRO 28 CO -0.04 -2.80 0.00 0.25 0.04 0.00 0.00 177.00 174.45 1pmx n THR 29 N -4.18 0.00 -1.78 1.26 -2.24 -1.26 -5.12 114.28 100.95 1pmx n THR 29 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1pmx n THR 29 Cb 0.58 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1pmx n THR 29 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pmx s GLY 30 N -2.99 2.84 0.00 3.38 0.00 -1.26 -5.02 107.32 104.27 1pmx s GLY 30 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1pmx s GLY 30 CO 0.00 2.32 0.00 -1.72 0.00 0.00 0.00 173.10 173.70 1pmx n TYR 31 N 0.65 -3.01 -3.20 1.90 4.02 -1.26 -5.02 117.16 111.25 1pmx n TYR 31 Ca 0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.46 1pmx n TYR 31 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 1pmx n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pmx n GLY 32 N 5.00 4.09 1.43 2.72 0.00 -1.26 -4.43 105.19 112.74 1pmx n GLY 32 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1pmx n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pmx n SER 33 N 3.35 0.00 -3.99 1.61 3.41 -1.26 -5.13 113.62 111.61 1pmx n SER 33 Ca 0.28 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.59 1pmx n SER 33 Cb 0.39 0.17 0.22 0.00 -0.26 0.00 0.00 64.21 64.73 1pmx n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pmx s SER 34 N -3.17 1.61 0.98 4.04 0.01 -1.26 -5.05 113.70 110.85 1pmx s SER 34 Ca 0.00 0.61 -0.16 0.00 1.31 0.00 0.00 55.95 57.71 1pmx s SER 34 Cb 0.00 -0.86 0.20 0.00 0.21 0.00 0.00 66.02 65.57 1pmx s SER 34 CO 0.00 -3.70 1.28 -0.55 0.41 0.00 0.00 173.24 170.69 1pmx s SER 35 N -4.07 2.94 -0.85 2.44 0.15 -1.26 -4.85 113.70 108.21 1pmx s SER 35 Ca 0.71 0.36 -0.21 0.00 0.70 0.00 0.00 55.95 57.51 1pmx s SER 35 Cb -0.09 -0.47 -0.20 0.00 -1.71 0.00 0.00 66.02 63.55 1pmx s SER 35 CO 0.55 -2.85 2.31 -2.11 1.20 0.00 0.00 173.24 172.34 1pmx n ARG 36 N -3.86 0.38 -3.65 5.44 -4.01 -1.26 -4.80 116.66 104.89 1pmx n ARG 36 Ca 0.14 -0.65 -0.03 0.00 -1.04 0.00 0.00 57.85 56.27 1pmx n ARG 36 Cb 0.60 -2.95 -0.05 0.00 -3.04 0.00 0.00 32.46 27.02 1pmx n ARG 36 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 1pmx s ARG 37 N 8.34 0.60 -0.11 2.89 3.52 -1.26 -5.16 118.95 127.76 1pmx s ARG 37 Ca 1.01 1.38 -0.08 0.00 -0.13 0.00 0.00 55.73 57.91 1pmx s ARG 37 Cb -0.32 0.68 0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1pmx s ARG 37 CO 0.21 -0.19 0.27 0.00 -0.81 0.00 0.00 175.30 174.79 1pmx s ALA 38 N 2.58 -0.66 -0.41 6.12 0.00 -1.26 -4.99 121.76 123.13 1pmx s ALA 38 Ca -0.07 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 1pmx s ALA 38 Cb -0.10 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1pmx s ALA 38 CO -0.19 -0.16 1.07 -1.25 0.00 0.00 0.00 175.76 175.23 1pmx s PRO 39 N 0.60 3.84 -0.59 0.00 0.04 -1.26 -4.99 135.00 132.65 1pmx s PRO 39 Ca -0.04 0.71 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 1pmx s PRO 39 Cb -0.05 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.67 1pmx s PRO 39 CO -0.04 -1.14 1.37 1.14 0.04 0.00 0.00 177.00 178.37 1pmx s GLN 40 N 3.99 3.30 -0.26 4.56 -2.07 -1.26 -4.92 119.66 123.00 1pmx s GLN 40 Ca 0.45 0.31 -0.29 0.00 -1.82 0.00 0.00 55.36 54.01 1pmx s GLN 40 Cb -0.10 -4.12 0.18 0.00 -1.09 0.00 0.00 33.01 27.88 1pmx s GLN 40 CO 0.24 -1.95 1.28 -0.08 -1.32 0.00 0.00 175.29 173.46 1pmx s THR 41 N 5.91 0.00 0.00 3.63 -1.32 -1.26 -5.09 115.64 117.52 1pmx s THR 41 Ca 0.48 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1pmx s THR 41 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1pmx s THR 41 CO 0.23 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1pmx n GLY 42 N 0.55 4.19 0.13 6.08 0.00 -1.26 -4.31 105.19 110.57 1pmx n GLY 42 Ca -0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1pmx n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pmx h ILE 43 N 0.00 0.89 0.21 -0.61 6.09 -1.89 -3.06 117.51 119.13 1pmx h ILE 43 Ca 0.00 -2.38 -0.01 0.00 -1.37 0.00 0.00 64.86 61.10 1pmx h ILE 43 Cb 0.00 2.62 -0.00 0.00 0.47 0.00 0.00 36.82 39.91 1pmx h ILE 43 CO 0.00 0.75 -0.13 0.58 -3.07 0.00 0.00 178.15 176.28 1pmx h VAL 44 N -0.19 0.73 0.00 2.19 2.07 -1.94 0.83 116.25 119.94 1pmx h VAL 44 Ca -0.35 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1pmx h VAL 44 Cb 1.85 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1pmx h VAL 44 CO 0.06 0.00 -0.23 0.44 0.02 0.00 0.00 177.57 177.86 1pmx h ASP 45 N -0.33 0.00 0.77 0.57 5.19 -1.95 0.88 116.42 121.55 1pmx h ASP 45 Ca -0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.28 1pmx h ASP 45 Cb 0.27 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1pmx h ASP 45 CO 0.02 0.23 -1.30 1.21 -3.12 0.00 0.00 179.24 176.28 1pmx n GLU 46 N -3.49 0.62 -0.03 3.56 4.07 -0.99 -3.34 120.64 121.04 1pmx n GLU 46 Ca -0.00 0.18 -0.05 0.00 -0.06 0.00 0.00 57.16 57.22 1pmx n GLU 46 Cb 0.40 -1.80 -0.02 0.00 -0.06 0.00 0.00 31.44 29.95 1pmx n GLU 46 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pmx h PHE 49 N -0.66 0.48 -3.96 0.00 -1.00 -1.16 -3.45 116.94 107.18 1pmx h PHE 49 Ca -0.01 -0.19 -0.31 0.00 2.81 0.00 0.00 57.97 60.28 1pmx h PHE 49 Cb 0.81 -0.08 -0.21 0.00 3.61 0.00 0.00 35.95 40.08 1pmx h PHE 49 CO 0.18 0.89 -0.75 1.03 -1.61 0.00 0.00 178.31 178.06 1pmx s ARG 50 N -3.79 0.60 0.26 1.51 0.52 -1.21 -5.03 118.95 111.82 1pmx s ARG 50 Ca -0.05 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 1pmx s ARG 50 Cb 0.11 -0.43 -0.10 0.00 0.52 0.00 0.00 34.95 35.06 1pmx s ARG 50 CO 0.82 0.08 1.35 -1.54 0.02 0.00 0.00 175.30 176.03 1pmx s SER 51 N -1.60 6.78 0.08 0.23 1.04 -1.26 -2.78 113.70 116.20 1pmx s SER 51 Ca -0.08 2.58 0.01 0.00 0.48 0.00 0.00 55.95 58.94 1pmx s SER 51 Cb -0.10 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.39 1pmx s SER 51 CO 0.01 -0.58 0.03 0.00 0.98 0.00 0.00 173.24 173.68 1pmx s ASP 53 N -1.51 3.86 0.54 0.00 -4.77 -1.26 -4.99 116.67 108.53 1pmx s ASP 53 Ca 0.04 -0.25 0.22 0.00 -3.30 0.00 0.00 52.55 49.26 1pmx s ASP 53 Cb 0.00 -0.81 1.42 0.00 -1.09 0.00 0.00 42.92 42.44 1pmx s ASP 53 CO 0.03 0.33 2.12 -0.07 0.70 0.00 0.00 175.17 178.27 1pmx h LEU 54 N 5.45 0.00 -2.06 2.11 -0.00 -2.01 -0.99 115.31 117.80 1pmx h LEU 54 Ca -0.45 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1pmx h LEU 54 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1pmx h LEU 54 CO 0.50 0.00 0.11 0.03 -0.00 0.00 0.00 178.44 179.08 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 3.08 -2.04 -0.57 114.38 115.99 1pmx h ARG 55 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1pmx h ARG 55 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1pmx h ARG 55 CO -0.00 0.00 -0.26 0.00 -1.07 0.00 0.00 179.97 178.64 1pmx h ARG 56 N 0.00 0.00 -0.28 0.04 2.47 -1.60 -2.71 114.38 112.30 1pmx h ARG 56 Ca 0.07 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.87 1pmx h ARG 56 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1pmx h ARG 56 CO -0.00 0.26 0.22 -0.07 0.56 0.00 0.00 179.97 180.93 1pmx h LEU 57 N 0.00 0.00 -0.96 3.04 3.38 -1.23 -0.14 115.31 119.40 1pmx h LEU 57 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1pmx h LEU 57 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1pmx h LEU 57 CO 0.03 0.00 -0.46 -0.33 0.09 0.00 0.00 178.44 177.77 1pmx h GLU 58 N 0.00 0.13 -0.17 1.13 5.08 -1.62 -3.13 114.58 116.00 1pmx h GLU 58 Ca 0.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1pmx h GLU 58 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1pmx h GLU 58 CO -0.00 0.57 0.10 0.52 -1.00 0.00 0.00 179.01 179.20 1pmx h MET 59 N 0.11 0.24 -0.08 2.33 2.86 -1.16 -2.38 114.93 116.85 1pmx h MET 59 Ca 0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1pmx h MET 59 Cb 0.86 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1pmx h MET 59 CO 0.07 0.23 0.06 1.88 1.06 0.00 0.00 176.91 180.21 1pmx h TYR 60 N 0.19 0.00 -2.90 -0.22 0.05 -1.54 -3.43 116.97 109.12 1pmx h TYR 60 Ca 0.06 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.30 1pmx h TYR 60 Cb 0.06 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.87 1pmx h TYR 60 CO -0.04 0.00 0.90 0.00 -1.05 0.00 0.00 178.16 177.97 1pmx s ALA 62 N 0.51 1.30 0.03 0.00 0.00 -1.25 -4.95 121.76 117.40 1pmx s ALA 62 Ca 0.70 0.36 0.13 0.00 0.00 0.00 0.00 51.96 53.15 1pmx s ALA 62 Cb -0.53 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.36 1pmx s ALA 62 CO 0.42 -2.73 1.47 -1.00 0.00 0.00 0.00 175.76 173.91 1pmx h PRO 63 N -1.84 0.00 -7.22 0.00 0.13 -1.93 -3.47 132.00 117.67 1pmx h PRO 63 Ca -0.47 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 1pmx h PRO 63 Cb 1.27 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.61 1pmx h PRO 63 CO 0.46 0.64 0.14 1.47 -0.23 0.00 0.00 178.00 180.48 1pmx n LEU 64 N -3.37 2.60 -4.06 1.56 -0.00 -1.26 -5.06 117.00 107.41 1pmx n LEU 64 Ca 0.01 0.35 -0.08 0.00 -0.00 0.00 0.00 56.01 56.29 1pmx n LEU 64 Cb 0.74 -1.44 -0.10 0.00 -0.00 0.00 0.00 43.42 42.62 1pmx n LEU 64 CO 0.42 -2.37 -0.35 -0.54 -0.00 0.00 0.00 177.39 174.55 1pmx s LYS 65 N -4.55 0.54 0.12 1.47 1.02 -1.26 -4.74 119.74 112.34 1pmx s LYS 65 Ca 0.67 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1pmx s LYS 65 Cb -0.23 0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.20 1pmx s LYS 65 CO 0.59 -0.10 1.18 -1.25 -0.92 0.00 0.00 175.35 174.86 1pmx s PRO 66 N -3.33 4.48 -0.21 -1.68 0.04 -1.26 -4.96 135.00 128.09 1pmx s PRO 66 Ca 0.01 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 1pmx s PRO 66 Cb 0.04 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 1pmx s PRO 66 CO -0.08 -0.15 -0.31 0.00 0.04 0.00 0.00 177.00 176.50 1pmx n ALA 67 N 3.22 1.30 -1.15 8.56 0.00 -1.26 -4.58 120.51 126.60 1pmx n ALA 67 Ca 0.06 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.39 1pmx n ALA 67 Cb 0.46 0.13 0.16 0.00 0.00 0.00 0.00 19.45 20.20 1pmx n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pmx n LYS 68 N -4.20 2.25 -1.87 0.00 4.01 -1.26 -4.19 118.16 112.90 1pmx n LYS 68 Ca -0.34 -2.91 0.02 0.00 -0.51 0.00 0.00 58.31 54.58 1pmx n LYS 68 Cb 0.68 -2.14 0.03 0.00 -0.51 0.00 0.00 35.03 33.09 1pmx n LYS 68 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1pmx n SER 69 N -1.04 0.99 0.00 4.39 7.64 -1.26 -5.33 113.62 119.01 1pmx n SER 69 Ca 0.58 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.45 1pmx n SER 69 Cb 1.50 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1pmx n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03