#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 3.99 -0.66 1.61 0.04 -1.26 -5.00 135.00 133.73 1pmx s PRO 2 Ca 0.00 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1pmx s PRO 2 Cb 0.00 -2.59 0.17 0.00 0.04 0.00 0.00 34.50 32.12 1pmx s PRO 2 CO 0.00 -0.35 0.55 -1.21 0.04 0.00 0.00 177.00 176.02 1pmx s GLU 3 N -2.43 2.98 0.03 4.56 2.02 -1.26 -5.04 118.70 119.56 1pmx s GLU 3 Ca 0.59 -2.25 0.02 0.00 0.02 0.00 0.00 54.97 53.35 1pmx s GLU 3 Cb -0.29 -4.10 -0.02 0.00 0.10 0.00 0.00 34.13 29.83 1pmx s GLU 3 CO 0.36 -1.24 -0.07 0.95 0.02 0.00 0.00 175.26 175.28 1pmx s THR 4 N 0.52 0.49 -0.29 3.63 -4.23 -1.26 -4.46 115.64 110.03 1pmx s THR 4 Ca 0.13 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1pmx s THR 4 Cb -0.19 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.13 1pmx s THR 4 CO -0.04 -0.28 0.06 -0.22 -0.54 0.00 0.00 174.62 173.60 1pmx s LEU 5 N -1.25 3.81 0.08 4.79 2.96 -1.25 -5.01 118.68 122.81 1pmx s LEU 5 Ca -0.08 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1pmx s LEU 5 Cb -0.08 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1pmx s LEU 5 CO 0.00 -0.20 0.01 0.00 -1.32 0.00 0.00 176.35 174.85 1pmx n GLY 7 N 0.02 1.12 0.32 0.00 0.00 -1.26 -2.97 105.19 102.42 1pmx n GLY 7 Ca -0.11 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.63 2.17 -0.69 4.61 0.00 -1.99 -1.71 119.26 121.03 1pmx h ALA 8 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pmx h ALA 8 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pmx h ALA 8 CO 0.00 -0.23 0.45 0.93 0.00 0.00 0.00 179.25 180.40 1pmx h GLU 9 N 0.07 0.91 -0.37 0.00 5.08 -1.93 0.46 114.58 118.79 1pmx h GLU 9 Ca 0.12 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1pmx h GLU 9 Cb 0.41 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pmx h GLU 9 CO -0.01 0.61 -0.03 1.25 -1.00 0.00 0.00 179.01 179.83 1pmx h LEU 10 N 0.93 0.67 -1.02 1.33 5.85 -1.36 -2.68 115.31 119.03 1pmx h LEU 10 Ca 0.25 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1pmx h LEU 10 Cb -0.10 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1pmx h LEU 10 CO -0.05 0.83 -0.29 0.58 -0.34 0.00 0.00 178.44 179.17 1pmx h VAL 11 N 0.49 1.27 -0.11 1.05 2.07 -1.18 -2.75 116.25 117.09 1pmx h VAL 11 Ca 0.10 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1pmx h VAL 11 Cb 0.51 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1pmx h VAL 11 CO 0.02 0.39 0.07 -0.78 0.02 0.00 0.00 177.57 177.29 1pmx h ASP 12 N 0.31 0.14 -0.24 0.57 3.58 0.11 -0.41 116.42 120.47 1pmx h ASP 12 Ca 0.04 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1pmx h ASP 12 Cb 0.67 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1pmx h ASP 12 CO 0.05 0.15 0.15 0.00 -2.88 0.00 0.00 179.24 176.70 1pmx h ALA 13 N 0.99 0.31 -0.97 -0.78 0.00 -1.39 0.42 119.26 117.84 1pmx h ALA 13 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pmx h ALA 13 Cb 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1pmx h ALA 13 CO -0.01 -0.18 0.64 -0.07 0.00 0.00 0.00 179.25 179.63 1pmx h LEU 14 N 0.30 1.11 -0.36 0.00 3.38 -1.35 0.67 115.31 119.06 1pmx h LEU 14 Ca 0.09 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 1pmx h LEU 14 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1pmx h LEU 14 CO -0.02 0.81 -0.82 1.56 0.09 0.00 0.00 178.44 180.06 1pmx h GLN 15 N 1.32 0.10 0.02 1.13 4.20 -0.72 0.29 115.11 121.44 1pmx h GLN 15 Ca 0.36 -0.10 -0.21 0.00 0.06 0.00 0.00 58.65 58.75 1pmx h GLN 15 Cb -0.15 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1pmx h GLN 15 CO -0.08 0.86 -1.00 0.35 -0.67 0.00 0.00 178.83 178.30 1pmx h PHE 16 N 0.06 0.08 0.02 2.96 3.57 0.52 -0.30 116.94 123.85 1pmx h PHE 16 Ca -0.02 -0.05 -0.24 0.00 3.53 0.00 0.00 57.97 61.18 1pmx h PHE 16 Cb 1.44 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 1pmx h PHE 16 CO 0.01 1.01 -1.32 0.28 -2.23 0.00 0.00 178.31 176.06 1pmx h VAL 17 N 0.01 0.92 0.00 1.41 2.07 0.33 -3.42 116.25 117.57 1pmx h VAL 17 Ca -0.03 -2.22 -0.14 0.00 0.82 0.00 0.00 66.70 65.13 1pmx h VAL 17 Cb 1.74 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 1pmx h VAL 17 CO 0.14 0.43 -0.82 0.00 0.02 0.00 0.00 177.57 177.34 1pmx n GLY 19 N 1.51 1.40 0.63 0.00 0.00 -0.12 -2.02 105.19 106.60 1pmx n GLY 19 Ca -0.23 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 11.10 1.86 0.13 1.61 9.92 -1.26 -4.08 116.55 135.83 1pmx n ASP 20 Ca 0.00 -1.89 -0.02 0.00 -0.53 0.00 0.00 54.79 52.36 1pmx n ASP 20 Cb 0.00 -0.19 0.16 0.00 -0.64 0.00 0.00 41.12 40.45 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1pmx h ARG 21 N 2.19 0.01 -2.68 -1.24 2.47 -1.70 -3.47 114.38 109.96 1pmx h ARG 21 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1pmx h ARG 21 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1pmx h ARG 21 CO 0.00 0.63 0.00 0.41 0.56 0.00 0.00 179.97 181.57 1pmx n GLY 22 N 0.27 -1.42 3.93 0.04 0.00 -1.26 -4.03 105.19 102.72 1pmx n GLY 22 Ca -0.01 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.50 2.66 -0.10 1.61 -0.12 -1.26 -3.76 117.98 116.51 1pmx s PHE 23 Ca 0.00 0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 57.25 1pmx s PHE 23 Cb 0.00 -3.34 0.05 0.00 -0.63 0.00 0.00 43.02 39.10 1pmx s PHE 23 CO 0.00 -1.64 0.21 1.52 -0.05 0.00 0.00 175.22 175.26 1pmx s TYR 24 N -3.36 -0.29 0.05 3.49 -0.85 -1.25 -5.00 117.35 110.13 1pmx s TYR 24 Ca 0.63 0.74 -0.24 0.00 -0.52 0.00 0.00 57.07 57.68 1pmx s TYR 24 Cb -0.10 -0.08 -0.12 0.00 0.38 0.00 0.00 41.96 42.04 1pmx s TYR 24 CO 0.46 -0.27 1.37 0.74 -1.52 0.00 0.00 175.55 176.33 1pmx h PHE 25 N 7.85 -0.88 -2.46 -3.49 -1.00 -1.99 -3.42 116.94 111.56 1pmx h PHE 25 Ca -0.26 -0.01 -0.54 0.00 2.81 0.00 0.00 57.97 59.98 1pmx h PHE 25 Cb 1.13 0.32 0.04 0.00 3.61 0.00 0.00 35.95 41.05 1pmx h PHE 25 CO 0.39 -0.47 1.08 -1.71 -1.61 0.00 0.00 178.31 175.99 1pmx n ASN 26 N -4.39 3.95 -3.90 2.17 4.05 -1.26 -3.60 115.26 112.27 1pmx n ASN 26 Ca -0.09 1.00 -0.28 0.00 0.45 0.00 0.00 54.58 55.66 1pmx n ASN 26 Cb 0.32 -1.53 -0.17 0.00 1.23 0.00 0.00 39.78 39.64 1pmx n ASN 26 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1pmx s LYS 27 N 2.59 1.52 0.28 1.20 -0.14 -1.26 -5.02 119.74 118.92 1pmx s LYS 27 Ca 0.82 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.73 1pmx s LYS 27 Cb -0.51 -1.83 -0.10 0.00 -1.68 0.00 0.00 37.83 33.72 1pmx s LYS 27 CO 0.38 -0.35 1.19 -1.25 -0.76 0.00 0.00 175.35 174.55 1pmx s PRO 28 N 1.66 4.52 -0.10 -1.68 0.04 -1.26 -4.86 135.00 133.32 1pmx s PRO 28 Ca 0.03 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 1pmx s PRO 28 Cb -0.14 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1pmx s PRO 28 CO -0.08 0.03 -0.12 0.25 0.04 0.00 0.00 177.00 177.12 1pmx n THR 29 N 1.31 0.54 -1.18 1.26 -2.24 -1.26 -5.11 114.28 107.59 1pmx n THR 29 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1pmx n THR 29 Cb 0.44 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1pmx n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pmx n GLY 30 N 2.46 -0.38 3.58 3.38 0.00 -1.26 -5.12 105.19 107.85 1pmx n GLY 30 Ca -0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 1pmx n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pmx s TYR 31 N -0.87 -1.14 -0.13 1.61 2.02 -1.26 -5.02 117.35 112.56 1pmx s TYR 31 Ca 0.00 2.11 -0.00 0.00 -0.37 0.00 0.00 57.07 58.81 1pmx s TYR 31 Cb 0.00 0.66 0.00 0.00 -0.40 0.00 0.00 41.96 42.22 1pmx s TYR 31 CO 0.00 -0.58 0.13 0.41 -1.57 0.00 0.00 175.55 173.94 1pmx n GLY 32 N 4.96 -0.51 3.28 0.71 0.00 -1.26 -5.02 105.19 107.35 1pmx n GLY 32 Ca -0.15 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1pmx n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pmx s SER 33 N -2.08 6.00 0.19 1.61 0.15 -1.26 -4.69 113.70 113.62 1pmx s SER 33 Ca 0.01 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 54.87 1pmx s SER 33 Cb -0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1pmx s SER 33 CO 0.14 -0.77 0.00 -1.20 1.20 0.00 0.00 173.24 172.60 1pmx n SER 34 N 5.12 -1.69 -2.00 5.45 7.64 -1.26 -5.15 113.62 121.73 1pmx n SER 34 Ca -0.12 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1pmx n SER 34 Cb 0.41 1.82 0.00 0.00 -1.01 0.00 0.00 64.21 65.43 1pmx n SER 34 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pmx n SER 35 N -2.82 0.00 -4.77 6.43 7.64 -1.26 -5.02 113.62 113.82 1pmx n SER 35 Ca 0.00 -1.00 -0.40 0.00 1.01 0.00 0.00 58.87 58.49 1pmx n SER 35 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1pmx n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pmx s ARG 36 N -2.60 3.64 0.78 1.43 0.52 -1.26 -4.99 118.95 116.48 1pmx s ARG 36 Ca 0.00 2.43 -0.12 0.00 -0.52 0.00 0.00 55.73 57.52 1pmx s ARG 36 Cb 0.00 -2.63 0.06 0.00 0.52 0.00 0.00 34.95 32.90 1pmx s ARG 36 CO 0.00 -0.86 1.11 0.50 0.02 0.00 0.00 175.30 176.08 1pmx s ARG 37 N -2.48 2.24 0.55 3.54 3.52 -1.26 -5.08 118.95 119.97 1pmx s ARG 37 Ca 0.62 0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 56.67 1pmx s ARG 37 Cb -0.44 -1.95 0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1pmx s ARG 37 CO 0.56 -1.48 0.81 0.00 -0.81 0.00 0.00 175.30 174.38 1pmx s ALA 38 N -3.29 3.58 1.00 6.12 0.00 -1.26 -5.10 121.76 122.80 1pmx s ALA 38 Ca 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1pmx s ALA 38 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1pmx s ALA 38 CO 0.53 -0.70 0.00 -0.35 0.00 0.00 0.00 175.76 175.23 1pmx n PRO 39 N -2.39 -0.98 -2.21 0.00 -0.04 -1.26 -4.91 135.00 123.21 1pmx n PRO 39 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 1pmx n PRO 39 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1pmx n PRO 39 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1pmx s GLN 40 N -2.45 4.26 -0.20 0.54 -2.07 -1.26 -4.99 119.66 113.48 1pmx s GLN 40 Ca 0.00 1.97 -0.07 0.00 -1.82 0.00 0.00 55.36 55.44 1pmx s GLN 40 Cb 0.00 -3.66 0.09 0.00 -1.09 0.00 0.00 33.01 28.35 1pmx s GLN 40 CO 0.00 -0.64 0.43 0.95 -1.32 0.00 0.00 175.29 174.71 1pmx s THR 41 N 2.79 -0.66 0.00 3.63 -4.23 -1.26 -4.95 115.64 110.95 1pmx s THR 41 Ca 0.64 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1pmx s THR 41 Cb -0.31 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1pmx s THR 41 CO 0.26 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1pmx n GLY 42 N 5.39 0.28 0.12 3.99 0.00 -1.26 -4.32 105.19 109.39 1pmx n GLY 42 Ca -0.09 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 1.31 0.78 -0.61 6.09 -1.92 -2.87 117.51 120.29 1pmx h ILE 43 Ca 0.00 -2.85 -0.03 0.00 -1.37 0.00 0.00 64.86 60.60 1pmx h ILE 43 Cb 0.00 2.91 -0.00 0.00 0.47 0.00 0.00 36.82 40.20 1pmx h ILE 43 CO 0.00 0.85 -0.48 0.58 -3.07 0.00 0.00 178.15 176.03 1pmx h VAL 44 N 0.10 0.04 0.00 2.19 2.07 -1.94 0.76 116.25 119.48 1pmx h VAL 44 Ca -0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1pmx h VAL 44 Cb 2.05 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1pmx h VAL 44 CO 0.21 0.00 -0.07 0.44 0.02 0.00 0.00 177.57 178.17 1pmx h ASP 45 N -1.18 0.00 0.78 0.57 5.19 -1.93 0.86 116.42 120.71 1pmx h ASP 45 Ca -0.10 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.19 1pmx h ASP 45 Cb 0.95 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1pmx h ASP 45 CO 0.11 0.07 -1.30 1.21 -3.12 0.00 0.00 179.24 176.21 1pmx n GLU 46 N -3.23 0.62 -0.02 3.56 4.07 -1.05 -3.45 120.64 121.13 1pmx n GLU 46 Ca 0.00 0.19 -0.04 0.00 -0.06 0.00 0.00 57.16 57.25 1pmx n GLU 46 Cb 0.32 -1.81 -0.02 0.00 -0.06 0.00 0.00 31.44 29.87 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 -0.76 0.84 -3.97 0.00 -1.00 -1.39 -3.45 116.94 107.20 1pmx h PHE 49 Ca -0.02 -0.18 -0.34 0.00 2.81 0.00 0.00 57.97 60.24 1pmx h PHE 49 Cb 0.54 -0.20 -0.24 0.00 3.61 0.00 0.00 35.95 39.66 1pmx h PHE 49 CO 0.09 0.88 -0.76 1.03 -1.61 0.00 0.00 178.31 177.95 1pmx s ARG 50 N -4.63 0.63 0.03 1.51 0.52 -1.22 -5.04 118.95 110.75 1pmx s ARG 50 Ca -0.09 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 1pmx s ARG 50 Cb 0.13 -0.54 -0.07 0.00 0.52 0.00 0.00 34.95 34.99 1pmx s ARG 50 CO 0.83 0.13 1.58 -1.54 0.02 0.00 0.00 175.30 176.31 1pmx s SER 51 N -1.04 6.69 0.27 0.23 1.04 -1.25 -2.73 113.70 116.91 1pmx s SER 51 Ca -0.03 2.33 0.02 0.00 0.48 0.00 0.00 55.95 58.75 1pmx s SER 51 Cb -0.07 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1pmx s SER 51 CO 0.01 -0.84 0.16 0.00 0.98 0.00 0.00 173.24 173.54 1pmx s ASP 53 N -2.59 4.73 0.50 0.00 -4.77 -1.26 -5.01 116.67 108.27 1pmx s ASP 53 Ca 0.12 -0.02 0.24 0.00 -3.30 0.00 0.00 52.55 49.59 1pmx s ASP 53 Cb -0.01 -1.29 1.31 0.00 -1.09 0.00 0.00 42.92 41.84 1pmx s ASP 53 CO 0.08 0.34 1.94 -0.07 0.70 0.00 0.00 175.17 178.16 1pmx h LEU 54 N 5.43 0.13 -2.10 2.11 4.07 -2.03 -0.02 115.31 122.90 1pmx h LEU 54 Ca -0.46 0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.56 1pmx h LEU 54 Cb 1.18 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1pmx h LEU 54 CO 0.54 0.06 0.16 0.03 -1.08 0.00 0.00 178.44 178.15 1pmx h ARG 55 N 0.13 0.00 0.00 1.13 3.08 -2.03 0.18 114.38 116.87 1pmx h ARG 55 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1pmx h ARG 55 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1pmx h ARG 55 CO -0.05 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.74 1pmx h ARG 56 N 0.00 0.00 -0.96 0.04 2.47 -1.41 -2.97 114.38 111.55 1pmx h ARG 56 Ca 0.09 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1pmx h ARG 56 Cb 0.41 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1pmx h ARG 56 CO -0.00 0.11 0.63 -0.07 0.56 0.00 0.00 179.97 181.20 1pmx h LEU 57 N 0.00 1.08 -1.48 3.04 3.38 -1.09 -0.45 115.31 119.79 1pmx h LEU 57 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1pmx h LEU 57 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1pmx h LEU 57 CO 0.01 0.77 0.03 -0.33 0.09 0.00 0.00 178.44 179.01 1pmx h GLU 58 N 1.27 0.36 -0.60 1.13 5.08 -1.66 -1.92 114.58 118.25 1pmx h GLU 58 Ca 0.36 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1pmx h GLU 58 Cb -0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1pmx h GLU 58 CO -0.09 0.37 0.42 1.98 -1.00 0.00 0.00 179.01 180.68 1pmx h MET 59 N 0.36 0.13 0.00 2.33 4.05 -1.16 -0.71 114.93 119.94 1pmx h MET 59 Ca 0.09 -0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.27 1pmx h MET 59 Cb 0.20 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1pmx h MET 59 CO 0.00 0.09 -1.30 1.88 0.23 0.00 0.00 176.91 177.81 1pmx h TYR 60 N 0.14 0.00 -2.57 1.39 0.05 -1.31 -3.46 116.97 111.20 1pmx h TYR 60 Ca 0.29 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.52 1pmx h TYR 60 Cb 0.94 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.74 1pmx h TYR 60 CO -0.00 0.91 0.93 0.00 -1.05 0.00 0.00 178.16 178.95 1pmx s ALA 62 N 1.00 0.93 -0.16 0.00 0.00 -1.25 -4.95 121.76 117.32 1pmx s ALA 62 Ca 0.75 0.28 0.15 0.00 0.00 0.00 0.00 51.96 53.14 1pmx s ALA 62 Cb -0.56 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.27 1pmx s ALA 62 CO 0.35 -2.99 1.41 -1.00 0.00 0.00 0.00 175.76 173.54 1pmx h PRO 63 N -2.02 0.00 -7.22 0.00 0.13 -1.93 -3.47 132.00 117.49 1pmx h PRO 63 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 1pmx h PRO 63 Cb 1.29 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.62 1pmx h PRO 63 CO 0.46 0.47 0.13 -0.48 -0.23 0.00 0.00 178.00 178.36 1pmx s LEU 64 N -6.41 2.00 0.19 1.56 2.34 -1.26 -5.06 118.68 112.04 1pmx s LEU 64 Ca 0.04 1.91 -0.09 0.00 0.06 0.00 0.00 54.13 56.05 1pmx s LEU 64 Cb 0.08 -4.09 -0.01 0.00 -0.56 0.00 0.00 46.19 41.60 1pmx s LEU 64 CO 0.75 -3.57 0.32 -0.54 -1.06 0.00 0.00 176.35 172.25 1pmx s LYS 65 N -4.57 1.28 0.62 1.48 3.01 -1.26 -4.75 119.74 115.55 1pmx s LYS 65 Ca 0.67 -1.25 -0.17 0.00 -1.01 0.00 0.00 55.97 54.21 1pmx s LYS 65 Cb -0.24 0.39 -0.02 0.00 -1.01 0.00 0.00 37.83 36.96 1pmx s LYS 65 CO 0.61 -0.48 1.16 -1.25 0.51 0.00 0.00 175.35 175.89 1pmx s PRO 66 N -4.01 2.89 0.00 -1.68 0.04 -1.26 -5.02 135.00 125.97 1pmx s PRO 66 Ca 0.21 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1pmx s PRO 66 Cb 0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1pmx s PRO 66 CO 0.04 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.86 1pmx n ALA 67 N -1.94 0.00 -2.45 8.56 0.00 -1.26 -4.85 120.51 118.58 1pmx n ALA 67 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1pmx n ALA 67 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.23 1.38 -3.49 0.00 4.76 -1.26 -5.01 118.16 112.31 1pmx n LYS 68 Ca 0.00 -3.06 -0.20 0.00 -2.87 0.00 0.00 58.31 52.18 1pmx n LYS 68 Cb 0.00 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 31.91 1pmx n LYS 68 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pmx s SER 69 N -3.08 1.86 0.00 4.39 0.15 -1.26 -5.36 113.70 110.39 1pmx s SER 69 Ca 0.34 -0.53 0.29 0.00 0.70 0.00 0.00 55.95 56.75 1pmx s SER 69 Cb 0.36 0.23 1.22 0.00 -1.71 0.00 0.00 66.02 66.13 1pmx s SER 69 CO -0.08 -0.36 1.84 0.00 1.20 0.00 0.00 173.24 175.85