#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 4.41 -0.20 1.61 0.04 -1.26 -5.02 135.00 134.58 1pmx s PRO 2 Ca 0.00 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 1pmx s PRO 2 Cb 0.00 -3.38 0.10 0.00 0.04 0.00 0.00 34.50 31.26 1pmx s PRO 2 CO 0.00 -0.29 0.25 -1.21 0.04 0.00 0.00 177.00 175.78 1pmx s GLU 3 N 1.25 0.21 0.14 4.56 0.41 -1.26 -5.15 118.70 118.86 1pmx s GLU 3 Ca 0.59 0.30 0.02 0.00 -0.41 0.00 0.00 54.97 55.47 1pmx s GLU 3 Cb -0.29 -1.01 -0.04 0.00 -1.78 0.00 0.00 34.13 31.01 1pmx s GLU 3 CO 0.28 -0.63 -0.05 0.95 -0.49 0.00 0.00 175.26 175.33 1pmx s THR 4 N 2.37 0.82 -0.22 3.63 -4.23 -1.26 -4.32 115.64 112.43 1pmx s THR 4 Ca 0.07 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1pmx s THR 4 Cb -0.15 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1pmx s THR 4 CO -0.12 -0.67 -0.16 -0.22 -0.54 0.00 0.00 174.62 172.90 1pmx s LEU 5 N -3.13 2.71 0.11 4.79 2.96 -1.25 -5.01 118.68 119.86 1pmx s LEU 5 Ca 0.18 -0.98 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1pmx s LEU 5 Cb 0.05 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1pmx s LEU 5 CO 0.00 -0.08 0.05 0.00 -1.32 0.00 0.00 176.35 174.99 1pmx n GLY 7 N -0.05 1.77 0.31 0.00 0.00 -1.26 -2.71 105.19 103.24 1pmx n GLY 7 Ca -0.07 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.76 1.98 -0.95 4.61 0.00 -1.99 -1.54 119.26 120.62 1pmx h ALA 8 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pmx h ALA 8 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1pmx h ALA 8 CO 0.00 -0.03 0.58 0.93 0.00 0.00 0.00 179.25 180.73 1pmx h GLU 9 N 0.23 1.29 -0.17 0.00 5.08 -1.91 0.82 114.58 119.92 1pmx h GLU 9 Ca 0.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1pmx h GLU 9 Cb 0.21 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1pmx h GLU 9 CO -0.02 0.90 -0.06 1.25 -1.00 0.00 0.00 179.01 180.08 1pmx h LEU 10 N 1.31 0.35 -0.90 1.33 5.85 -1.26 -2.34 115.31 119.65 1pmx h LEU 10 Ca 0.34 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1pmx h LEU 10 Cb -0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1pmx h LEU 10 CO -0.06 0.65 -0.47 0.58 -0.34 0.00 0.00 178.44 178.79 1pmx h VAL 11 N 0.04 1.34 -0.45 1.05 2.07 -1.19 -2.71 116.25 116.40 1pmx h VAL 11 Ca 0.04 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 1pmx h VAL 11 Cb 0.51 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1pmx h VAL 11 CO 0.02 0.49 -0.00 0.44 0.02 0.00 0.00 177.57 178.54 1pmx h ASP 12 N 0.14 0.70 -0.09 0.57 3.32 0.76 -1.25 116.42 120.58 1pmx h ASP 12 Ca 0.01 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1pmx h ASP 12 Cb 0.89 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1pmx h ASP 12 CO 0.07 0.77 -0.22 0.00 -1.72 0.00 0.00 179.24 178.15 1pmx h ALA 13 N 1.31 0.15 -0.69 3.45 0.00 -1.25 -1.57 119.26 120.65 1pmx h ALA 13 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pmx h ALA 13 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1pmx h ALA 13 CO 0.02 0.11 0.44 -0.07 0.00 0.00 0.00 179.25 179.75 1pmx h LEU 14 N -0.16 0.81 -0.99 0.00 3.38 -1.39 0.39 115.31 117.35 1pmx h LEU 14 Ca -0.00 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1pmx h LEU 14 Cb 0.82 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1pmx h LEU 14 CO 0.05 0.60 -0.42 1.56 0.09 0.00 0.00 178.44 180.32 1pmx h GLN 15 N 0.94 0.17 0.02 1.13 1.08 -1.26 0.51 115.11 117.70 1pmx h GLN 15 Ca 0.25 -0.08 -0.21 0.00 -1.45 0.00 0.00 58.65 57.16 1pmx h GLN 15 Cb -0.08 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1pmx h GLN 15 CO -0.05 0.57 -0.97 0.35 -0.95 0.00 0.00 178.83 177.77 1pmx h PHE 16 N 0.15 0.18 0.00 2.96 3.57 -0.57 -2.27 116.94 120.95 1pmx h PHE 16 Ca 0.01 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1pmx h PHE 16 Cb 0.80 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1pmx h PHE 16 CO 0.01 1.01 -0.13 0.28 -2.23 0.00 0.00 178.31 177.25 1pmx h VAL 17 N 0.04 0.00 0.06 1.41 2.07 -0.03 -3.42 116.25 116.37 1pmx h VAL 17 Ca -0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1pmx h VAL 17 Cb 1.67 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1pmx h VAL 17 CO 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1pmx n GLY 19 N 0.41 2.54 0.18 0.00 0.00 -0.74 -2.31 105.19 105.27 1pmx n GLY 19 Ca -0.09 0.03 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 1.34 0.00 0.00 0.00 173.32 174.66 1pmx n ASP 20 N 10.09 0.52 0.00 1.61 2.03 -1.26 -3.87 116.55 125.68 1pmx n ASP 20 Ca 0.00 -1.77 -0.08 0.00 0.52 0.00 0.00 54.79 53.46 1pmx n ASP 20 Cb 0.00 -0.05 0.08 0.00 -0.72 0.00 0.00 41.12 40.43 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1pmx h ARG 21 N 0.63 0.55 -0.55 -0.67 2.47 -1.75 -3.48 114.38 111.59 1pmx h ARG 21 Ca 0.00 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1pmx h ARG 21 Cb 0.14 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1pmx h ARG 21 CO 0.00 0.90 0.00 0.41 0.56 0.00 0.00 179.97 181.84 1pmx n GLY 22 N 0.11 0.83 3.65 0.04 0.00 -1.25 -4.20 105.19 104.36 1pmx n GLY 22 Ca -0.02 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1pmx n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pmx n PHE 23 N -0.25 0.68 -3.75 1.61 1.16 -1.26 -4.36 117.46 111.29 1pmx n PHE 23 Ca 0.00 0.38 -0.19 0.00 -1.87 0.00 0.00 57.45 55.78 1pmx n PHE 23 Cb 0.09 -1.99 -0.17 0.00 -1.61 0.00 0.00 39.48 35.80 1pmx n PHE 23 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1pmx s TYR 24 N -2.55 0.17 0.00 2.97 -0.85 -1.25 -5.01 117.35 110.84 1pmx s TYR 24 Ca 0.67 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 1pmx s TYR 24 Cb -0.24 -0.46 0.00 0.00 0.38 0.00 0.00 41.96 41.65 1pmx s TYR 24 CO 0.58 -0.18 0.75 1.19 -1.52 0.00 0.00 175.55 176.37 1pmx n PHE 25 N 4.84 0.00 -1.72 -3.49 3.01 -1.26 -4.62 117.46 114.22 1pmx n PHE 25 Ca -0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.91 1pmx n PHE 25 Cb 0.50 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1pmx n PHE 25 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1pmx s ASN 26 N -2.04 6.41 -0.74 4.37 3.84 -1.26 -3.96 114.94 121.56 1pmx s ASN 26 Ca 0.00 2.79 -0.12 0.00 0.21 0.00 0.00 52.86 55.74 1pmx s ASN 26 Cb 0.00 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.32 1pmx s ASN 26 CO 0.00 -1.00 0.66 -0.75 -2.79 0.00 0.00 177.10 173.22 1pmx s LYS 27 N 2.34 3.29 0.66 0.43 2.20 -1.26 -5.07 119.74 122.33 1pmx s LYS 27 Ca 0.79 -2.36 -0.11 0.00 -0.36 0.00 0.00 55.97 53.93 1pmx s LYS 27 Cb -0.47 -4.26 0.16 0.00 -1.51 0.00 0.00 37.83 31.75 1pmx s LYS 27 CO 0.35 -1.27 0.67 -0.35 -0.36 0.00 0.00 175.35 174.39 1pmx n PRO 28 N 4.06 -1.75 -3.66 4.03 -0.04 -1.26 -5.05 135.00 131.33 1pmx n PRO 28 Ca 0.09 -1.06 -0.30 0.00 -0.04 0.00 0.00 63.50 62.20 1pmx n PRO 28 Cb 0.44 -0.89 -0.14 0.00 -0.04 0.00 0.00 33.50 32.88 1pmx n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pmx s THR 29 N -2.30 0.78 0.00 0.52 -4.23 -1.26 -4.95 115.64 104.20 1pmx s THR 29 Ca 0.41 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1pmx s THR 29 Cb -0.03 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1pmx s THR 29 CO 0.31 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1pmx n GLY 30 N 4.42 0.84 0.13 3.99 0.00 -1.26 -4.24 105.19 109.08 1pmx n GLY 30 Ca 0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1pmx n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pmx n TYR 31 N 0.00 0.30 -0.06 1.61 4.01 -1.26 -5.11 117.16 116.64 1pmx n TYR 31 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1pmx n TYR 31 Cb 0.00 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 37.99 1pmx n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pmx n GLY 32 N 1.86 0.47 3.97 2.72 0.00 -1.26 -5.04 105.19 107.91 1pmx n GLY 32 Ca -0.45 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1pmx n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pmx s SER 33 N -0.08 5.99 -0.08 1.61 1.04 -1.26 -5.03 113.70 115.90 1pmx s SER 33 Ca 0.00 0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.47 1pmx s SER 33 Cb 0.00 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 1pmx s SER 33 CO 0.00 -0.49 -0.12 -1.20 0.98 0.00 0.00 173.24 172.41 1pmx n SER 34 N -1.81 0.89 -3.17 7.02 7.64 -1.26 -5.00 113.62 117.92 1pmx n SER 34 Ca -0.01 0.31 0.02 0.00 1.01 0.00 0.00 58.87 60.21 1pmx n SER 34 Cb 0.58 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 1pmx n SER 34 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pmx s SER 35 N -4.71 -1.30 -0.01 6.43 1.04 -1.26 -5.07 113.70 108.82 1pmx s SER 35 Ca -0.10 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1pmx s SER 35 Cb 0.01 1.95 -0.00 0.00 0.10 0.00 0.00 66.02 68.08 1pmx s SER 35 CO 0.15 -0.29 -0.03 0.54 0.98 0.00 0.00 173.24 174.59 1pmx n ARG 36 N 5.41 0.04 -1.67 4.02 3.00 -1.26 -4.99 116.66 121.22 1pmx n ARG 36 Ca 0.03 0.02 -0.04 0.00 -0.01 0.00 0.00 57.85 57.84 1pmx n ARG 36 Cb 0.53 -0.45 0.02 0.00 0.00 0.00 0.00 32.46 32.55 1pmx n ARG 36 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1pmx n ARG 37 N -2.68 0.55 -4.06 5.56 1.85 -1.26 -5.14 116.66 111.48 1pmx n ARG 37 Ca -0.01 -0.94 -0.13 0.00 -1.00 0.00 0.00 57.85 55.77 1pmx n ARG 37 Cb 0.04 0.44 -0.13 0.00 -1.05 0.00 0.00 32.46 31.76 1pmx n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pmx s ALA 38 N 0.05 0.39 1.00 2.89 0.00 -1.26 -5.17 121.76 119.67 1pmx s ALA 38 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1pmx s ALA 38 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1pmx s ALA 38 CO -0.05 0.01 0.00 -0.35 0.00 0.00 0.00 175.76 175.36 1pmx n PRO 39 N 2.19 -0.44 -3.19 0.00 -0.04 -1.26 -4.99 135.00 127.27 1pmx n PRO 39 Ca -0.18 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.89 1pmx n PRO 39 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.59 4.33 -0.03 0.54 -2.07 -1.26 -5.06 119.66 113.51 1pmx s GLN 40 Ca 0.00 0.60 -0.07 0.00 -1.82 0.00 0.00 55.36 54.07 1pmx s GLN 40 Cb 0.00 -3.48 0.01 0.00 -1.09 0.00 0.00 33.01 28.45 1pmx s GLN 40 CO 0.00 0.02 0.16 0.95 -1.32 0.00 0.00 175.29 175.10 1pmx s THR 41 N 1.04 0.04 0.00 3.63 -4.23 -1.26 -4.87 115.64 109.99 1pmx s THR 41 Ca 0.30 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1pmx s THR 41 Cb -0.16 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1pmx s THR 41 CO 0.12 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1pmx n GLY 42 N 2.18 -0.32 0.18 3.99 0.00 -1.26 -4.28 105.19 105.68 1pmx n GLY 42 Ca -0.18 0.37 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 0.32 -0.61 6.09 -1.92 -2.41 117.51 120.26 1pmx h ILE 43 Ca 0.00 -2.39 -0.01 0.00 -1.37 0.00 0.00 64.86 61.09 1pmx h ILE 43 Cb 0.00 2.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.87 1pmx h ILE 43 CO 0.00 0.73 -0.22 0.58 -3.07 0.00 0.00 178.15 176.18 1pmx h VAL 44 N 0.32 0.55 0.00 2.19 2.07 -1.93 0.82 116.25 120.27 1pmx h VAL 44 Ca -0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1pmx h VAL 44 Cb 1.84 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1pmx h VAL 44 CO 0.23 0.00 -0.18 0.44 0.02 0.00 0.00 177.57 178.08 1pmx h ASP 45 N -0.53 0.00 0.80 0.57 5.19 -1.90 0.86 116.42 121.41 1pmx h ASP 45 Ca -0.03 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 1pmx h ASP 45 Cb 0.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1pmx h ASP 45 CO 0.02 0.18 -1.28 1.21 -3.12 0.00 0.00 179.24 176.25 1pmx n GLU 46 N -3.36 0.62 -0.03 3.56 4.07 -0.91 -3.42 120.64 121.18 1pmx n GLU 46 Ca 0.00 0.19 -0.05 0.00 -0.06 0.00 0.00 57.16 57.24 1pmx n GLU 46 Cb 0.40 -1.82 -0.02 0.00 -0.06 0.00 0.00 31.44 29.94 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 -0.72 0.28 -3.93 0.00 -1.00 -1.28 -3.45 116.94 106.84 1pmx h PHE 49 Ca -0.01 -0.09 -0.24 0.00 2.81 0.00 0.00 57.97 60.44 1pmx h PHE 49 Cb 0.61 -0.06 -0.23 0.00 3.61 0.00 0.00 35.95 39.89 1pmx h PHE 49 CO 0.13 0.69 -0.72 1.03 -1.61 0.00 0.00 178.31 177.83 1pmx s ARG 50 N -3.95 0.37 0.23 1.51 0.52 -1.22 -5.03 118.95 111.38 1pmx s ARG 50 Ca -0.04 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 1pmx s ARG 50 Cb 0.13 -0.13 -0.10 0.00 0.52 0.00 0.00 34.95 35.37 1pmx s ARG 50 CO 0.78 0.02 1.46 -1.54 0.02 0.00 0.00 175.30 176.04 1pmx s SER 51 N -1.12 6.64 0.12 0.23 1.04 -1.25 -2.77 113.70 116.58 1pmx s SER 51 Ca -0.09 2.66 0.01 0.00 0.48 0.00 0.00 55.95 59.00 1pmx s SER 51 Cb -0.08 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 1pmx s SER 51 CO -0.00 -0.73 0.02 0.00 0.98 0.00 0.00 173.24 173.52 1pmx s ASP 53 N -1.69 3.67 0.56 0.00 -4.77 -1.26 -5.01 116.67 108.17 1pmx s ASP 53 Ca 0.03 -0.39 0.27 0.00 -3.30 0.00 0.00 52.55 49.15 1pmx s ASP 53 Cb 0.00 -0.59 1.51 0.00 -1.09 0.00 0.00 42.92 42.74 1pmx s ASP 53 CO 0.02 0.29 2.03 -0.07 0.70 0.00 0.00 175.17 178.15 1pmx h LEU 54 N 4.91 0.00 -2.28 2.11 4.07 -2.02 -0.55 115.31 121.54 1pmx h LEU 54 Ca -0.46 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.49 1pmx h LEU 54 Cb 1.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1pmx h LEU 54 CO 0.48 0.00 -0.02 0.03 -1.08 0.00 0.00 178.44 177.85 1pmx h ARG 55 N 0.00 0.00 -0.03 1.13 3.08 -2.03 -1.50 114.38 115.02 1pmx h ARG 55 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1pmx h ARG 55 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1pmx h ARG 55 CO -0.00 0.02 -0.30 0.00 -1.07 0.00 0.00 179.97 178.61 1pmx h ARG 56 N 0.00 0.06 -0.25 0.04 2.47 -1.51 -2.71 114.38 112.47 1pmx h ARG 56 Ca -0.00 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.77 1pmx h ARG 56 Cb 0.04 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1pmx h ARG 56 CO 0.00 0.36 0.20 -0.07 0.56 0.00 0.00 179.97 181.02 1pmx h LEU 57 N 0.05 0.00 -0.95 3.04 3.38 -1.42 -0.61 115.31 118.81 1pmx h LEU 57 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1pmx h LEU 57 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1pmx h LEU 57 CO 0.04 0.00 -0.41 -0.33 0.09 0.00 0.00 178.44 177.83 1pmx h GLU 58 N 0.00 0.23 -0.60 1.13 5.08 -1.62 -2.99 114.58 115.80 1pmx h GLU 58 Ca 0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pmx h GLU 58 Cb 0.52 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1pmx h GLU 58 CO -0.00 0.61 0.38 0.52 -1.00 0.00 0.00 179.01 179.51 1pmx h MET 59 N 0.19 0.81 0.00 2.33 2.86 -1.24 -2.30 114.93 117.59 1pmx h MET 59 Ca 0.02 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1pmx h MET 59 Cb 0.81 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1pmx h MET 59 CO 0.06 0.56 -0.35 1.88 1.06 0.00 0.00 176.91 180.13 1pmx h TYR 60 N 0.82 0.00 -2.91 -0.22 0.05 -1.57 -3.44 116.97 109.70 1pmx h TYR 60 Ca 0.22 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.47 1pmx h TYR 60 Cb -0.05 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.76 1pmx h TYR 60 CO -0.02 0.35 0.95 0.00 -1.05 0.00 0.00 178.16 178.38 1pmx s ALA 62 N 0.65 1.22 0.12 0.00 0.00 -1.26 -4.96 121.76 117.52 1pmx s ALA 62 Ca 0.70 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1pmx s ALA 62 Cb -0.51 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.10 1pmx s ALA 62 CO 0.39 -2.75 1.26 -1.00 0.00 0.00 0.00 175.76 173.67 1pmx h PRO 63 N -1.85 0.12 -7.22 0.00 0.13 -1.93 -3.47 132.00 117.79 1pmx h PRO 63 Ca -0.48 -0.19 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 1pmx h PRO 63 Cb 1.28 0.07 0.19 0.00 0.13 0.00 0.00 31.00 32.67 1pmx h PRO 63 CO 0.47 1.05 0.29 1.47 -0.23 0.00 0.00 178.00 181.05 1pmx n LEU 64 N -3.48 4.02 -3.83 1.56 -0.00 -1.26 -5.05 117.00 108.95 1pmx n LEU 64 Ca -0.03 0.53 -0.10 0.00 -0.00 0.00 0.00 56.01 56.41 1pmx n LEU 64 Cb 0.94 -1.50 -0.07 0.00 -0.00 0.00 0.00 43.42 42.78 1pmx n LEU 64 CO 0.49 -1.87 -0.07 -1.59 -0.00 0.00 0.00 177.39 174.35 1pmx s LYS 65 N -4.29 0.80 0.17 1.47 0.00 -1.26 -4.72 119.74 111.91 1pmx s LYS 65 Ca 0.71 -0.81 -0.02 0.00 0.00 0.00 0.00 55.97 55.85 1pmx s LYS 65 Cb -0.27 0.33 0.04 0.00 0.00 0.00 0.00 37.83 37.93 1pmx s LYS 65 CO 0.53 -0.25 1.42 -1.00 0.00 0.00 0.00 175.35 176.05 1pmx h PRO 66 N 2.99 0.42 -3.77 1.78 0.13 -1.97 -3.43 132.00 128.15 1pmx h PRO 66 Ca -0.33 -0.35 -0.43 0.00 -0.87 0.00 0.00 66.00 64.01 1pmx h PRO 66 Cb 1.20 0.08 -0.37 0.00 0.13 0.00 0.00 31.00 32.03 1pmx h PRO 66 CO 0.53 0.99 -0.77 0.00 -0.23 0.00 0.00 178.00 178.52 1pmx s ALA 67 N -3.60 0.71 0.20 -0.56 0.00 -1.26 -5.15 121.76 112.10 1pmx s ALA 67 Ca -0.06 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1pmx s ALA 67 Cb 0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1pmx s ALA 67 CO 0.84 -0.38 -0.02 -1.59 0.00 0.00 0.00 175.76 174.61 1pmx s LYS 68 N 1.78 2.31 -0.13 0.00 -2.85 -1.26 -5.05 119.74 114.53 1pmx s LYS 68 Ca 0.02 -1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 53.67 1pmx s LYS 68 Cb -0.13 -2.27 -0.25 0.00 -2.06 0.00 0.00 37.83 33.12 1pmx s LYS 68 CO -0.05 0.43 0.36 0.66 0.10 0.00 0.00 175.35 176.86 1pmx h SER 69 N 2.56 0.34 0.00 0.03 4.64 -2.02 -3.54 113.55 115.55 1pmx h SER 69 Ca -0.46 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.01 1pmx h SER 69 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1pmx h SER 69 CO 0.58 1.76 0.00 0.00 -0.87 0.00 0.00 176.83 178.30