#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 3.96 -0.18 1.61 0.04 -1.26 -4.98 135.00 134.19 1pmx s PRO 2 Ca 0.00 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1pmx s PRO 2 Cb 0.00 -3.99 0.09 0.00 0.04 0.00 0.00 34.50 30.63 1pmx s PRO 2 CO 0.00 -1.09 0.24 -1.21 0.04 0.00 0.00 177.00 174.98 1pmx s GLU 3 N 4.35 0.18 0.26 4.56 0.41 -1.26 -5.15 118.70 122.05 1pmx s GLU 3 Ca 0.70 0.36 0.03 0.00 -0.41 0.00 0.00 54.97 55.65 1pmx s GLU 3 Cb -0.27 -0.86 -0.05 0.00 -1.78 0.00 0.00 34.13 31.16 1pmx s GLU 3 CO 0.28 -0.56 0.03 0.95 -0.49 0.00 0.00 175.26 175.47 1pmx s THR 4 N 2.36 0.99 -0.22 3.63 -4.23 -1.26 -4.26 115.64 112.65 1pmx s THR 4 Ca 0.06 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1pmx s THR 4 Cb -0.15 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1pmx s THR 4 CO -0.11 -0.19 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.44 1pmx s LEU 5 N -3.35 2.74 0.09 4.79 2.96 -1.23 -4.99 118.68 119.69 1pmx s LEU 5 Ca 0.32 -1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.14 1pmx s LEU 5 Cb 0.07 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 1pmx s LEU 5 CO 0.11 -0.15 0.02 0.00 -1.32 0.00 0.00 176.35 175.02 1pmx n GLY 7 N 0.00 3.01 0.31 0.00 0.00 -1.26 -2.12 105.19 105.14 1pmx n GLY 7 Ca -0.10 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.98 2.17 -0.78 4.61 0.00 -1.98 -1.22 119.26 121.07 1pmx h ALA 8 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pmx h ALA 8 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1pmx h ALA 8 CO 0.00 -0.27 0.41 0.93 0.00 0.00 0.00 179.25 180.32 1pmx h GLU 9 N 0.00 1.08 -0.13 0.00 5.08 -1.82 0.82 114.58 119.61 1pmx h GLU 9 Ca 0.10 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1pmx h GLU 9 Cb 0.42 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1pmx h GLU 9 CO -0.00 0.80 -0.27 1.25 -1.00 0.00 0.00 179.01 179.79 1pmx h LEU 10 N 1.09 0.46 -0.79 1.33 5.85 -1.22 -2.62 115.31 119.40 1pmx h LEU 10 Ca 0.27 -0.57 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 1pmx h LEU 10 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1pmx h LEU 10 CO -0.04 0.94 -0.58 0.58 -0.34 0.00 0.00 178.44 178.99 1pmx h VAL 11 N -0.01 1.41 -0.39 1.05 2.07 -1.25 -2.67 116.25 116.46 1pmx h VAL 11 Ca 0.00 -1.99 -0.07 0.00 0.82 0.00 0.00 66.70 65.47 1pmx h VAL 11 Cb 0.87 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1pmx h VAL 11 CO 0.06 0.57 -0.03 0.44 0.02 0.00 0.00 177.57 178.64 1pmx h ASP 12 N 0.05 0.70 -0.08 0.57 5.19 0.65 -1.39 116.42 122.12 1pmx h ASP 12 Ca -0.01 -0.33 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1pmx h ASP 12 Cb 1.05 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 1pmx h ASP 12 CO 0.08 0.86 -0.03 0.00 -3.12 0.00 0.00 179.24 177.03 1pmx h ALA 13 N 0.87 0.10 -0.80 3.45 0.00 -1.44 0.54 119.26 121.98 1pmx h ALA 13 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1pmx h ALA 13 Cb 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1pmx h ALA 13 CO 0.03 -0.16 0.53 -0.07 0.00 0.00 0.00 179.25 179.58 1pmx h LEU 14 N -0.20 0.90 -0.36 0.00 3.38 -1.49 0.75 115.31 118.29 1pmx h LEU 14 Ca 0.02 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1pmx h LEU 14 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pmx h LEU 14 CO 0.01 0.65 -0.82 1.56 0.09 0.00 0.00 178.44 179.92 1pmx h GLN 15 N 1.06 0.15 0.03 1.13 1.08 -1.19 0.11 115.11 117.49 1pmx h GLN 15 Ca 0.30 -0.16 -0.22 0.00 -1.45 0.00 0.00 58.65 57.12 1pmx h GLN 15 Cb -0.08 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1pmx h GLN 15 CO -0.07 0.89 -1.04 0.35 -0.95 0.00 0.00 178.83 178.01 1pmx h PHE 16 N 0.09 0.16 0.00 2.96 3.57 -0.02 -2.00 116.94 121.70 1pmx h PHE 16 Ca -0.03 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1pmx h PHE 16 Cb 1.43 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1pmx h PHE 16 CO 0.02 1.06 -0.22 0.28 -2.23 0.00 0.00 178.31 177.22 1pmx h VAL 17 N 0.03 0.00 0.04 1.41 2.07 0.49 -3.42 116.25 116.87 1pmx h VAL 17 Ca -0.05 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1pmx h VAL 17 Cb 1.77 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1pmx h VAL 17 CO 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.72 1pmx n GLY 19 N 0.83 1.99 0.24 0.00 0.00 -0.75 -2.27 105.19 105.23 1pmx n GLY 19 Ca -0.09 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 10.73 0.70 0.08 1.61 9.92 -1.26 -3.85 116.55 134.48 1pmx n ASP 20 Ca 0.00 -1.80 -0.10 0.00 -0.53 0.00 0.00 54.79 52.37 1pmx n ASP 20 Cb 0.00 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.83 0.26 -1.45 -1.24 2.47 -1.74 -3.48 114.38 110.03 1pmx h ARG 21 Ca 0.00 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1pmx h ARG 21 Cb 0.19 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1pmx h ARG 21 CO 0.00 0.99 0.00 0.41 0.56 0.00 0.00 179.97 181.93 1pmx n GLY 22 N 0.87 -0.10 3.80 0.04 0.00 -1.25 -4.08 105.19 104.47 1pmx n GLY 22 Ca -0.04 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.44 3.02 -0.10 1.61 -0.12 -1.26 -4.00 117.98 116.68 1pmx s PHE 23 Ca 0.00 1.51 -0.00 0.00 -0.05 0.00 0.00 56.93 58.39 1pmx s PHE 23 Cb 0.00 -3.00 0.02 0.00 -0.63 0.00 0.00 43.02 39.42 1pmx s PHE 23 CO 0.00 -1.04 -0.06 1.52 -0.05 0.00 0.00 175.22 175.59 1pmx s TYR 24 N -2.42 1.28 0.00 3.49 -0.85 -1.25 -5.04 117.35 112.56 1pmx s TYR 24 Ca 0.64 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1pmx s TYR 24 Cb -0.16 -1.11 0.00 0.00 0.38 0.00 0.00 41.96 41.07 1pmx s TYR 24 CO 0.35 -0.45 0.90 1.19 -1.52 0.00 0.00 175.55 176.02 1pmx n PHE 25 N 4.91 0.00 -1.62 -3.49 3.01 -1.26 -4.50 117.46 114.50 1pmx n PHE 25 Ca -0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.91 1pmx n PHE 25 Cb 0.50 -0.40 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1pmx n PHE 25 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1pmx n ASN 26 N -1.83 3.56 -4.70 4.37 4.05 -1.26 -4.11 115.26 115.34 1pmx n ASN 26 Ca 0.00 0.44 -0.35 0.00 0.45 0.00 0.00 54.58 55.12 1pmx n ASN 26 Cb 0.00 -1.54 -0.09 0.00 1.23 0.00 0.00 39.78 39.38 1pmx n ASN 26 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1pmx s LYS 27 N 5.71 3.25 0.66 1.20 2.20 -1.26 -5.09 119.74 126.41 1pmx s LYS 27 Ca 0.97 -0.36 -0.14 0.00 -0.36 0.00 0.00 55.97 56.08 1pmx s LYS 27 Cb -0.38 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1pmx s LYS 27 CO 0.38 0.63 1.09 -1.25 -0.36 0.00 0.00 175.35 175.84 1pmx s PRO 28 N -0.65 2.85 -0.19 4.03 0.04 -1.26 -4.85 135.00 134.96 1pmx s PRO 28 Ca 0.11 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 1pmx s PRO 28 Cb -0.12 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1pmx s PRO 28 CO 0.02 -1.20 0.47 -0.08 0.04 0.00 0.00 177.00 176.25 1pmx s THR 29 N -2.48 -0.05 0.00 1.26 -1.32 -1.26 -5.04 115.64 106.75 1pmx s THR 29 Ca 0.65 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1pmx s THR 29 Cb -0.19 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1pmx s THR 29 CO 0.43 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1pmx n GLY 30 N 4.32 -0.53 3.76 6.08 0.00 -1.26 -5.12 105.19 112.44 1pmx n GLY 30 Ca -0.22 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.96 3.38 0.00 1.61 2.02 -1.26 -4.98 117.35 116.16 1pmx s TYR 31 Ca 0.00 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 1pmx s TYR 31 Cb 0.00 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1pmx s TYR 31 CO 0.00 -1.04 0.00 0.41 -1.57 0.00 0.00 175.55 173.35 1pmx n GLY 32 N 1.06 3.21 2.07 0.71 0.00 -1.26 -5.10 105.19 105.88 1pmx n GLY 32 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1pmx n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pmx n SER 33 N 0.00 -1.25 -3.70 1.61 7.64 -1.26 -5.13 113.62 111.53 1pmx n SER 33 Ca 0.00 0.39 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 1pmx n SER 33 Cb 0.00 1.34 -0.11 0.00 -1.01 0.00 0.00 64.21 64.43 1pmx n SER 33 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pmx s SER 34 N -3.51 -0.52 0.17 6.43 1.04 -1.26 -5.17 113.70 110.88 1pmx s SER 34 Ca 0.00 0.91 -0.25 0.00 0.48 0.00 0.00 55.95 57.09 1pmx s SER 34 Cb 0.00 0.81 0.06 0.00 0.10 0.00 0.00 66.02 66.99 1pmx s SER 34 CO 0.00 -0.19 0.94 -0.55 0.98 0.00 0.00 173.24 174.42 1pmx s SER 35 N 1.23 -0.18 -0.09 7.02 0.15 -1.26 -5.07 113.70 115.50 1pmx s SER 35 Ca -0.08 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 55.89 1pmx s SER 35 Cb -0.07 0.51 -0.21 0.00 -1.71 0.00 0.00 66.02 64.54 1pmx s SER 35 CO -0.11 -0.95 0.88 -0.09 1.20 0.00 0.00 173.24 174.17 1pmx h ARG 36 N 2.00 -0.04 -3.91 5.44 1.12 -2.08 -3.43 114.38 113.48 1pmx h ARG 36 Ca -0.23 0.00 -0.57 0.00 -1.11 0.00 0.00 59.98 58.07 1pmx h ARG 36 Cb 1.23 0.01 -0.39 0.00 -0.01 0.00 0.00 29.97 30.81 1pmx h ARG 36 CO 0.25 0.67 -0.77 -0.98 -3.11 0.00 0.00 179.97 176.03 1pmx s ARG 37 N -2.95 1.09 -0.39 0.20 1.70 -1.26 -4.98 118.95 112.36 1pmx s ARG 37 Ca -0.16 -0.75 0.10 0.00 -0.47 0.00 0.00 55.73 54.45 1pmx s ARG 37 Cb -0.01 -2.33 0.39 0.00 -0.57 0.00 0.00 34.95 32.44 1pmx s ARG 37 CO 0.61 -0.66 1.37 0.00 -1.08 0.00 0.00 175.30 175.54 1pmx n ALA 38 N 4.86 1.48 -1.73 7.88 0.00 -1.26 -5.16 120.51 126.57 1pmx n ALA 38 Ca -0.09 -1.32 -0.30 0.00 0.00 0.00 0.00 53.44 51.72 1pmx n ALA 38 Cb 0.45 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 19.11 1pmx n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pmx s PRO 39 N 0.07 0.33 -0.83 0.00 0.04 -1.26 -4.98 135.00 128.37 1pmx s PRO 39 Ca 0.21 -0.29 -0.19 0.00 0.04 0.00 0.00 61.00 60.77 1pmx s PRO 39 Cb 0.41 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 33.27 1pmx s PRO 39 CO -0.09 -2.64 1.03 -1.14 0.04 0.00 0.00 177.00 174.20 1pmx s GLN 40 N -5.75 3.43 0.36 4.56 0.74 -1.26 -4.95 119.66 116.79 1pmx s GLN 40 Ca 0.72 -1.53 -0.17 0.00 0.05 0.00 0.00 55.36 54.43 1pmx s GLN 40 Cb -0.06 -4.67 0.05 0.00 1.10 0.00 0.00 33.01 29.43 1pmx s GLN 40 CO 0.53 -1.74 0.78 0.95 -0.55 0.00 0.00 175.29 175.27 1pmx s THR 41 N 2.90 0.00 0.00 -0.34 -4.23 -1.26 -5.12 115.64 107.59 1pmx s THR 41 Ca 0.28 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1pmx s THR 41 Cb -0.10 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1pmx s THR 41 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1pmx n GLY 42 N -0.52 0.91 0.15 3.99 0.00 -1.26 -4.72 105.19 103.74 1pmx n GLY 42 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1pmx n GLY 42 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pmx n ILE 43 N 0.00 0.99 0.33 -0.61 0.13 -1.26 -4.08 119.36 114.86 1pmx n ILE 43 Ca 0.00 -0.36 -0.17 0.00 -1.10 0.00 0.00 62.75 61.12 1pmx n ILE 43 Cb 0.00 -1.22 -0.09 0.00 -0.84 0.00 0.00 39.64 37.49 1pmx n ILE 43 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1pmx h VAL 44 N -0.12 0.25 0.00 9.51 2.07 -1.92 0.81 116.25 126.85 1pmx h VAL 44 Ca -0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1pmx h VAL 44 Cb 1.56 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1pmx h VAL 44 CO -0.10 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 177.85 1pmx h ASP 45 N -0.90 0.00 0.70 0.57 3.32 -1.95 0.85 116.42 119.00 1pmx h ASP 45 Ca -0.07 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 1pmx h ASP 45 Cb 0.74 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1pmx h ASP 45 CO 0.06 0.08 -1.42 1.21 -1.72 0.00 0.00 179.24 177.46 1pmx n GLU 46 N -3.26 0.62 -0.05 3.56 4.07 -0.99 -3.40 120.64 121.19 1pmx n GLU 46 Ca -0.00 0.21 -0.09 0.00 -0.06 0.00 0.00 57.16 57.21 1pmx n GLU 46 Cb 0.31 -1.80 -0.04 0.00 -0.06 0.00 0.00 31.44 29.85 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 -1.01 0.65 -3.93 0.00 -1.00 -1.44 -3.44 116.94 106.78 1pmx h PHE 49 Ca -0.04 -0.06 -0.24 0.00 2.81 0.00 0.00 57.97 60.44 1pmx h PHE 49 Cb 0.47 -0.19 -0.23 0.00 3.61 0.00 0.00 35.95 39.61 1pmx h PHE 49 CO 0.03 0.58 -0.72 1.03 -1.61 0.00 0.00 178.31 177.62 1pmx s ARG 50 N -5.10 0.36 0.59 1.51 0.52 -1.22 -5.03 118.95 110.58 1pmx s ARG 50 Ca -0.08 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.42 1pmx s ARG 50 Cb 0.16 -0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 1pmx s ARG 50 CO 0.77 0.02 1.33 -1.54 0.02 0.00 0.00 175.30 175.91 1pmx s SER 51 N -1.06 5.00 0.13 0.23 1.04 -1.25 -2.61 113.70 115.19 1pmx s SER 51 Ca -0.08 2.70 0.03 0.00 0.48 0.00 0.00 55.95 59.08 1pmx s SER 51 Cb -0.07 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 1pmx s SER 51 CO -0.00 -1.74 0.12 0.00 0.98 0.00 0.00 173.24 172.60 1pmx s ASP 53 N -1.91 4.45 0.62 0.00 -4.77 -1.26 -4.99 116.67 108.81 1pmx s ASP 53 Ca 0.15 -0.23 0.29 0.00 -3.30 0.00 0.00 52.55 49.45 1pmx s ASP 53 Cb 0.01 -1.71 1.53 0.00 -1.09 0.00 0.00 42.92 41.65 1pmx s ASP 53 CO 0.11 0.14 1.90 -0.07 0.70 0.00 0.00 175.17 177.95 1pmx h LEU 54 N 6.88 0.00 -2.00 2.11 -0.00 -2.01 0.17 115.31 120.45 1pmx h LEU 54 Ca -0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1pmx h LEU 54 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1pmx h LEU 54 CO 0.60 0.00 -0.06 0.03 -0.00 0.00 0.00 178.44 179.01 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 3.08 -2.04 -1.59 114.38 114.96 1pmx h ARG 55 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1pmx h ARG 55 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1pmx h ARG 55 CO -0.00 0.06 -0.22 0.00 -1.07 0.00 0.00 179.97 178.74 1pmx h ARG 56 N 0.00 0.00 -0.33 0.04 2.47 -1.38 -2.54 114.38 112.64 1pmx h ARG 56 Ca -0.00 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.81 1pmx h ARG 56 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1pmx h ARG 56 CO 0.01 0.22 0.26 -0.07 0.56 0.00 0.00 179.97 180.95 1pmx h LEU 57 N 0.00 0.00 -0.94 3.04 3.38 -1.45 0.09 115.31 119.43 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 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1pmx h LEU 57 CO 0.03 0.00 -0.53 -0.33 0.09 0.00 0.00 178.44 177.70 1pmx h GLU 58 N 0.00 0.00 0.01 1.13 5.08 -1.61 -3.20 114.58 115.99 1pmx h GLU 58 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1pmx h GLU 58 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1pmx h GLU 58 CO -0.00 0.53 -0.00 0.52 -1.00 0.00 0.00 179.01 179.05 1pmx h MET 59 N 0.00 -0.01 -0.25 2.33 2.86 -1.11 -2.79 114.93 115.96 1pmx h MET 59 Ca -0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1pmx h MET 59 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1pmx h MET 59 CO 0.07 0.19 0.19 1.88 1.06 0.00 0.00 176.91 180.30 1pmx h TYR 60 N -0.20 0.00 -3.12 -0.22 0.05 -1.55 -3.42 116.97 108.50 1pmx h TYR 60 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 1pmx h TYR 60 Cb 0.20 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.02 1pmx h TYR 60 CO -0.01 0.00 0.88 0.00 -1.05 0.00 0.00 178.16 177.98 1pmx s ALA 62 N 0.20 1.45 -0.24 0.00 0.00 -1.26 -4.97 121.76 116.94 1pmx s ALA 62 Ca 0.66 0.09 0.18 0.00 0.00 0.00 0.00 51.96 52.90 1pmx s ALA 62 Cb -0.51 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 19.47 1pmx s ALA 62 CO 0.46 -2.47 1.37 -1.00 0.00 0.00 0.00 175.76 174.12 1pmx h PRO 63 N -1.64 0.00 -6.95 0.00 0.13 -1.93 -3.47 132.00 118.14 1pmx h PRO 63 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1pmx h PRO 63 Cb 1.28 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.56 1pmx h PRO 63 CO 0.52 0.27 0.37 1.47 -0.23 0.00 0.00 178.00 180.40 1pmx n LEU 64 N -3.08 4.80 -3.82 1.56 -0.00 -1.26 -5.02 117.00 110.17 1pmx n LEU 64 Ca 0.01 0.87 -0.06 0.00 -0.00 0.00 0.00 56.01 56.83 1pmx n LEU 64 Cb 0.67 -1.49 -0.01 0.00 -0.00 0.00 0.00 43.42 42.59 1pmx n LEU 64 CO 0.39 -1.24 0.58 -0.54 -0.00 0.00 0.00 177.39 176.58 1pmx s LYS 65 N -2.92 1.59 0.28 1.47 1.02 -1.26 -4.71 119.74 115.20 1pmx s LYS 65 Ca 0.76 -0.90 0.12 0.00 0.02 0.00 0.00 55.97 55.97 1pmx s LYS 65 Cb -0.41 0.53 0.34 0.00 -0.52 0.00 0.00 37.83 37.77 1pmx s LYS 65 CO 0.46 -0.73 1.59 -1.00 -0.92 0.00 0.00 175.35 174.75 1pmx h PRO 66 N 2.00 0.00 -6.83 -1.68 0.13 -1.98 -3.45 132.00 120.20 1pmx h PRO 66 Ca -0.22 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.38 1pmx h PRO 66 Cb 1.24 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.44 1pmx h PRO 66 CO 0.26 0.61 0.71 0.00 -0.23 0.00 0.00 178.00 179.34 1pmx s ALA 67 N -3.46 3.56 0.39 -0.56 0.00 -1.26 -5.03 121.76 115.40 1pmx s ALA 67 Ca -0.00 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1pmx s ALA 67 Cb 0.12 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1pmx s ALA 67 CO 0.75 -0.73 0.38 1.63 0.00 0.00 0.00 175.76 177.79 1pmx n LYS 68 N 1.45 0.86 -3.17 0.00 4.76 -1.26 -5.09 118.16 115.70 1pmx n LYS 68 Ca 0.03 -2.29 -0.40 0.00 -2.87 0.00 0.00 58.31 52.78 1pmx n LYS 68 Cb 0.41 0.10 -0.06 0.00 -1.84 0.00 0.00 35.03 33.63 1pmx n LYS 68 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1pmx s SER 69 N -3.32 6.61 0.00 4.39 0.01 -1.26 -5.21 113.70 114.91 1pmx s SER 69 Ca 0.29 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1pmx s SER 69 Cb -0.02 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1pmx s SER 69 CO 0.18 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.58