#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 2.29 -0.41 1.61 0.04 -1.26 -5.02 135.00 132.25 1pmx s PRO 2 Ca 0.00 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 1pmx s PRO 2 Cb 0.00 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1pmx s PRO 2 CO 0.00 -1.56 0.25 -1.21 0.04 0.00 0.00 177.00 174.52 1pmx s GLU 3 N -4.99 2.72 0.33 4.56 8.01 -1.26 -5.07 118.70 123.00 1pmx s GLU 3 Ca 0.60 -1.30 0.03 0.00 0.01 0.00 0.00 54.97 54.31 1pmx s GLU 3 Cb -0.16 -3.79 -0.06 0.00 -4.31 0.00 0.00 34.13 25.82 1pmx s GLU 3 CO 0.56 -0.86 0.07 0.95 0.01 0.00 0.00 175.26 175.98 1pmx s THR 4 N 1.49 1.06 -0.21 3.63 -4.23 -1.26 -4.61 115.64 111.51 1pmx s THR 4 Ca 0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1pmx s THR 4 Cb -0.22 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1pmx s THR 4 CO 0.04 0.00 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.90 1pmx s LEU 5 N -3.48 1.75 0.07 4.79 2.96 -1.23 -5.05 118.68 118.50 1pmx s LEU 5 Ca 0.35 -0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1pmx s LEU 5 Cb 0.08 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1pmx s LEU 5 CO 0.15 -0.28 -0.01 0.00 -1.32 0.00 0.00 176.35 174.90 1pmx n GLY 7 N 0.06 1.26 0.29 0.00 0.00 -1.26 -3.03 105.19 102.52 1pmx n GLY 7 Ca -0.12 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 1.96 -0.96 4.61 0.00 -1.98 -1.85 119.26 120.54 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 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1pmx h ALA 8 CO 0.00 0.02 0.63 0.93 0.00 0.00 0.00 179.25 180.82 1pmx h GLU 9 N 0.17 1.27 -0.11 0.00 5.08 -1.93 0.81 114.58 119.87 1pmx h GLU 9 Ca 0.08 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1pmx h GLU 9 Cb 0.09 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1pmx h GLU 9 CO -0.01 0.85 -0.16 1.25 -1.00 0.00 0.00 179.01 179.93 1pmx h LEU 10 N 1.31 0.34 -0.93 1.33 5.85 -1.42 -2.58 115.31 119.20 1pmx h LEU 10 Ca 0.35 -0.53 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 1pmx h LEU 10 Cb -0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1pmx h LEU 10 CO -0.07 0.80 -0.35 0.58 -0.34 0.00 0.00 178.44 179.06 1pmx h VAL 11 N -0.12 1.29 -0.56 1.05 2.07 -1.23 -2.74 116.25 116.00 1pmx h VAL 11 Ca 0.01 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1pmx h VAL 11 Cb 0.72 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1pmx h VAL 11 CO 0.04 0.43 0.16 0.44 0.02 0.00 0.00 177.57 178.66 1pmx h ASP 12 N 0.30 0.84 -0.06 0.57 3.32 0.65 -1.01 116.42 121.03 1pmx h ASP 12 Ca 0.04 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1pmx h ASP 12 Cb 0.76 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1pmx h ASP 12 CO 0.06 0.84 0.02 0.00 -1.72 0.00 0.00 179.24 178.43 1pmx h ALA 13 N 1.03 0.08 -0.98 3.45 0.00 -1.33 0.39 119.26 121.90 1pmx h ALA 13 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pmx h ALA 13 Cb 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1pmx h ALA 13 CO -0.00 -0.31 0.63 -0.07 0.00 0.00 0.00 179.25 179.50 1pmx h LEU 14 N -0.10 1.13 -0.45 0.00 3.38 -1.42 0.62 115.31 118.47 1pmx h LEU 14 Ca 0.02 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1pmx h LEU 14 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1pmx h LEU 14 CO -0.00 0.84 -0.77 1.56 0.09 0.00 0.00 178.44 180.16 1pmx h GLN 15 N 1.33 0.13 0.03 1.13 1.08 -1.03 0.14 115.11 117.92 1pmx h GLN 15 Ca 0.36 -0.12 -0.21 0.00 -1.45 0.00 0.00 58.65 57.22 1pmx h GLN 15 Cb -0.13 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1pmx h GLN 15 CO -0.07 0.83 -0.97 0.35 -0.95 0.00 0.00 178.83 178.02 1pmx h PHE 16 N 0.08 0.21 0.00 2.96 3.57 0.49 -2.18 116.94 122.07 1pmx h PHE 16 Ca -0.02 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1pmx h PHE 16 Cb 1.35 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1pmx h PHE 16 CO 0.02 1.01 -0.09 0.28 -2.23 0.00 0.00 178.31 177.30 1pmx h VAL 17 N 0.06 0.00 0.07 1.41 2.07 0.26 -3.42 116.25 116.69 1pmx h VAL 17 Ca -0.05 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pmx h VAL 17 Cb 1.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 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 0.29 2.18 0.13 0.00 0.00 -0.82 -2.29 105.19 104.68 1pmx n GLY 19 Ca -0.09 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 10.57 0.39 0.09 1.61 2.03 -1.26 -3.73 116.55 126.26 1pmx n ASP 20 Ca 0.00 -1.77 -0.06 0.00 0.52 0.00 0.00 54.79 53.48 1pmx n ASP 20 Cb 0.00 -0.04 0.01 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.47 0.07 -1.47 -0.67 2.47 -1.77 -3.45 114.38 110.02 1pmx h ARG 21 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1pmx h ARG 21 Cb 0.10 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pmx h ARG 21 CO 0.00 0.86 0.00 0.41 0.56 0.00 0.00 179.97 181.80 1pmx n GLY 22 N 0.82 0.12 3.77 0.04 0.00 -1.24 -4.01 105.19 104.69 1pmx n GLY 22 Ca -0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.29 2.67 -0.02 1.61 -0.12 -1.26 -4.17 117.98 115.40 1pmx s PHE 23 Ca 0.00 1.54 0.06 0.00 -0.05 0.00 0.00 56.93 58.48 1pmx s PHE 23 Cb 0.00 -3.28 -0.01 0.00 -0.63 0.00 0.00 43.02 39.10 1pmx s PHE 23 CO 0.00 -1.57 -0.20 1.52 -0.05 0.00 0.00 175.22 174.93 1pmx s TYR 24 N -1.81 1.79 0.00 3.49 -0.85 -1.23 -5.03 117.35 113.71 1pmx s TYR 24 Ca 0.72 -0.38 -0.19 0.00 -0.52 0.00 0.00 57.07 56.70 1pmx s TYR 24 Cb -0.23 -1.17 -0.28 0.00 0.38 0.00 0.00 41.96 40.66 1pmx s TYR 24 CO 0.28 -0.06 1.03 0.74 -1.52 0.00 0.00 175.55 176.01 1pmx h PHE 25 N 5.78 0.73 -3.84 -3.49 -1.00 -1.97 -3.44 116.94 109.72 1pmx h PHE 25 Ca -0.37 -0.47 -0.64 0.00 2.81 0.00 0.00 57.97 59.31 1pmx h PHE 25 Cb 1.15 -0.06 -0.16 0.00 3.61 0.00 0.00 35.95 40.49 1pmx h PHE 25 CO 0.40 1.32 -0.48 1.21 -1.61 0.00 0.00 178.31 179.15 1pmx s ASN 26 N -7.07 6.06 -0.02 2.17 3.84 -1.26 -3.45 114.94 115.22 1pmx s ASN 26 Ca -0.12 0.04 -0.16 0.00 0.21 0.00 0.00 52.86 52.83 1pmx s ASN 26 Cb 0.03 -2.13 0.03 0.00 -0.55 0.00 0.00 41.25 38.63 1pmx s ASN 26 CO 0.87 -0.05 0.35 -1.59 -2.79 0.00 0.00 177.10 173.88 1pmx s LYS 27 N 1.71 0.71 0.89 0.43 0.00 -1.26 -5.12 119.74 117.10 1pmx s LYS 27 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 55.97 55.79 1pmx s LYS 27 Cb -0.16 0.32 0.13 0.00 0.00 0.00 0.00 37.83 38.12 1pmx s LYS 27 CO 0.10 -0.20 1.12 -1.25 0.00 0.00 0.00 175.35 175.12 1pmx s PRO 28 N -1.33 1.22 0.00 1.78 0.04 -1.26 -4.96 135.00 130.49 1pmx s PRO 28 Ca -0.13 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1pmx s PRO 28 Cb -0.05 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1pmx s PRO 28 CO 0.05 -2.43 0.00 0.25 0.04 0.00 0.00 177.00 174.91 1pmx n THR 29 N -4.08 0.00 0.00 1.26 -2.24 -1.26 -5.07 114.28 102.89 1pmx n THR 29 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1pmx n THR 29 Cb 0.53 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.19 -0.05 3.64 3.38 0.00 -1.26 -5.11 105.19 105.59 1pmx n GLY 30 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.19 -0.47 1.61 2.02 -1.26 -5.07 117.35 113.00 1pmx s TYR 31 Ca 0.00 2.22 0.05 0.00 -0.37 0.00 0.00 57.07 58.97 1pmx s TYR 31 Cb 0.00 0.71 0.41 0.00 -0.40 0.00 0.00 41.96 42.68 1pmx s TYR 31 CO 0.00 -0.59 1.13 0.41 -1.57 0.00 0.00 175.55 174.93 1pmx n GLY 32 N 4.81 5.96 1.75 0.71 0.00 -1.26 -4.47 105.19 112.69 1pmx n GLY 32 Ca -0.17 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.09 1pmx n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pmx n SER 33 N -0.46 0.00 0.11 1.61 2.88 -1.26 -4.93 113.62 111.57 1pmx n SER 33 Ca 0.39 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.71 1pmx n SER 33 Cb 0.62 0.22 -0.13 0.00 -0.75 0.00 0.00 64.21 64.17 1pmx n SER 33 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1pmx h SER 34 N 0.00 0.78 -3.38 -3.46 0.87 -2.02 -3.43 113.55 102.91 1pmx h SER 34 Ca 0.00 -0.76 -0.59 0.00 -1.23 0.00 0.00 61.79 59.21 1pmx h SER 34 Cb 0.00 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 61.63 1pmx h SER 34 CO 0.00 1.58 0.19 -0.44 -0.53 0.00 0.00 176.83 177.62 1pmx s SER 35 N -7.41 6.78 -0.14 6.23 0.01 -1.26 -4.97 113.70 112.94 1pmx s SER 35 Ca -0.08 0.96 -0.09 0.00 1.31 0.00 0.00 55.95 58.04 1pmx s SER 35 Cb 0.06 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1pmx s SER 35 CO 0.93 -0.29 -0.07 -0.09 0.41 0.00 0.00 173.24 174.13 1pmx h ARG 36 N 7.36 0.00 -6.38 12.44 2.43 -1.94 -3.45 114.38 124.84 1pmx h ARG 36 Ca -0.32 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.28 1pmx h ARG 36 Cb 1.14 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 1pmx h ARG 36 CO 0.79 0.14 1.12 0.50 -1.51 0.00 0.00 179.97 181.01 1pmx s ARG 37 N -2.11 3.61 -0.23 0.20 6.06 -1.26 -4.97 118.95 120.25 1pmx s ARG 37 Ca -0.13 1.28 -0.16 0.00 -2.50 0.00 0.00 55.73 54.21 1pmx s ARG 37 Cb 0.02 -4.05 0.07 0.00 0.06 0.00 0.00 34.95 31.04 1pmx s ARG 37 CO 0.23 -1.51 0.59 0.00 -2.50 0.00 0.00 175.30 172.11 1pmx s ALA 38 N 5.60 -1.53 0.79 6.12 0.00 -1.26 -5.18 121.76 126.30 1pmx s ALA 38 Ca 0.68 1.93 -0.10 0.00 0.00 0.00 0.00 51.96 54.47 1pmx s ALA 38 Cb -0.19 -1.14 0.09 0.00 0.00 0.00 0.00 23.12 21.88 1pmx s ALA 38 CO 0.31 -0.32 1.13 -1.25 0.00 0.00 0.00 175.76 175.63 1pmx s PRO 39 N 1.07 1.86 -0.28 0.00 0.04 -1.26 -5.05 135.00 131.38 1pmx s PRO 39 Ca -0.06 -0.16 -0.15 0.00 0.04 0.00 0.00 61.00 60.67 1pmx s PRO 39 Cb -0.05 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1pmx s PRO 39 CO -0.10 -1.57 0.39 -1.14 0.04 0.00 0.00 177.00 174.62 1pmx s GLN 40 N -5.47 3.98 -0.22 4.56 0.74 -1.26 -5.04 119.66 116.94 1pmx s GLN 40 Ca 0.63 0.03 -0.26 0.00 0.05 0.00 0.00 55.36 55.81 1pmx s GLN 40 Cb -0.10 -3.67 0.08 0.00 1.10 0.00 0.00 33.01 30.43 1pmx s GLN 40 CO 0.48 -0.31 0.80 -0.08 -0.55 0.00 0.00 175.29 175.63 1pmx s THR 41 N 2.10 0.00 0.00 -0.34 -1.32 -1.26 -4.93 115.64 109.89 1pmx s THR 41 Ca 0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1pmx s THR 41 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1pmx s THR 41 CO 0.10 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1pmx n GLY 42 N 2.13 0.22 0.09 6.08 0.00 -1.26 -4.79 105.19 107.66 1pmx n GLY 42 Ca -0.14 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 1.19 0.03 -0.61 0.13 -1.22 -4.02 119.36 114.86 1pmx n ILE 43 Ca 0.00 -0.71 -0.02 0.00 -1.10 0.00 0.00 62.75 60.93 1pmx n ILE 43 Cb 0.00 -0.61 -0.01 0.00 -0.84 0.00 0.00 39.64 38.18 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 0.00 0.00 0.00 9.51 2.07 -1.94 -0.52 116.25 125.37 1pmx h VAL 44 Ca -0.47 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pmx h VAL 44 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1pmx h VAL 44 CO 0.02 0.00 0.01 0.44 0.02 0.00 0.00 177.57 178.05 1pmx h ASP 45 N -0.19 0.00 0.18 0.57 5.19 -1.92 0.87 116.42 121.12 1pmx h ASP 45 Ca -0.01 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.04 1pmx h ASP 45 Cb 0.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 1pmx h ASP 45 CO 0.02 0.00 -1.96 1.21 -3.12 0.00 0.00 179.24 175.38 1pmx n GLU 46 N -2.70 0.74 -0.03 3.56 4.07 -1.23 -4.02 120.64 121.04 1pmx n GLU 46 Ca -0.02 0.26 -0.02 0.00 -0.06 0.00 0.00 57.16 57.32 1pmx n GLU 46 Cb 0.06 -1.72 -0.06 0.00 -0.06 0.00 0.00 31.44 29.67 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 -0.37 0.59 -3.09 0.00 -1.00 -1.62 -3.44 116.94 108.01 1pmx h PHE 49 Ca -0.10 -0.43 -0.54 0.00 2.81 0.00 0.00 57.97 59.71 1pmx h PHE 49 Cb 1.45 -0.03 -0.17 0.00 3.61 0.00 0.00 35.95 40.82 1pmx h PHE 49 CO 0.19 1.33 -0.78 1.03 -1.61 0.00 0.00 178.31 178.47 1pmx s ARG 50 N -2.67 1.37 -0.43 1.51 0.52 -1.25 -5.06 118.95 112.94 1pmx s ARG 50 Ca -0.05 -1.49 -0.27 0.00 -0.52 0.00 0.00 55.73 53.39 1pmx s ARG 50 Cb 0.07 -1.43 0.02 0.00 0.52 0.00 0.00 34.95 34.13 1pmx s ARG 50 CO 0.90 0.28 1.02 -1.54 0.02 0.00 0.00 175.30 175.98 1pmx s SER 51 N -2.86 6.63 0.00 0.23 1.04 -1.26 -3.45 113.70 114.03 1pmx s SER 51 Ca 0.19 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1pmx s SER 51 Cb -0.05 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1pmx s SER 51 CO 0.08 -1.07 0.00 0.00 0.98 0.00 0.00 173.24 173.23 1pmx s ASP 53 N -0.62 4.22 0.50 0.00 -4.77 -1.26 -5.02 116.67 109.73 1pmx s ASP 53 Ca 0.00 -0.37 0.22 0.00 -3.30 0.00 0.00 52.55 49.10 1pmx s ASP 53 Cb 0.00 -0.79 1.30 0.00 -1.09 0.00 0.00 42.92 42.34 1pmx s ASP 53 CO 0.00 0.22 2.07 -0.07 0.70 0.00 0.00 175.17 178.09 1pmx h LEU 54 N 4.06 0.00 -2.23 2.11 4.07 -2.02 -2.37 115.31 118.93 1pmx h LEU 54 Ca -0.49 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.51 1pmx h LEU 54 Cb 1.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1pmx h LEU 54 CO 0.51 0.13 0.11 0.03 -1.08 0.00 0.00 178.44 178.13 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 3.08 -2.03 -0.94 114.38 115.62 1pmx h ARG 55 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1pmx h ARG 55 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1pmx h ARG 55 CO 0.02 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.88 1pmx h ARG 56 N 0.00 0.00 -0.38 0.04 2.47 -1.85 -2.00 114.38 112.66 1pmx h ARG 56 Ca 0.06 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.86 1pmx h ARG 56 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1pmx h ARG 56 CO -0.00 0.04 0.27 -0.07 0.56 0.00 0.00 179.97 180.76 1pmx h LEU 57 N 0.00 0.10 -0.80 3.04 3.38 -1.36 -1.04 115.31 118.63 1pmx h LEU 57 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1pmx h LEU 57 Cb 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1pmx h LEU 57 CO 0.00 0.06 -0.41 -0.33 0.09 0.00 0.00 178.44 177.85 1pmx h GLU 58 N 0.11 0.40 -0.54 1.13 5.08 -1.53 -3.08 114.58 116.16 1pmx h GLU 58 Ca 0.18 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1pmx h GLU 58 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1pmx h GLU 58 CO -0.02 0.75 0.32 0.52 -1.00 0.00 0.00 179.01 179.58 1pmx h MET 59 N 0.33 0.62 0.00 2.33 2.86 -1.30 -2.01 114.93 117.76 1pmx h MET 59 Ca 0.03 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1pmx h MET 59 Cb 0.87 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1pmx h MET 59 CO 0.07 0.41 -0.29 1.88 1.06 0.00 0.00 176.91 180.04 1pmx h TYR 60 N 0.64 0.00 -2.78 -0.22 0.05 -1.55 -3.44 116.97 109.68 1pmx h TYR 60 Ca 0.22 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.47 1pmx h TYR 60 Cb 0.03 0.00 0.06 0.00 1.01 0.00 0.00 36.73 37.83 1pmx h TYR 60 CO -0.06 0.29 0.99 0.00 -1.05 0.00 0.00 178.16 178.32 1pmx s ALA 62 N 1.00 1.66 0.01 0.00 0.00 -1.26 -4.96 121.76 118.21 1pmx s ALA 62 Ca 0.73 0.21 0.17 0.00 0.00 0.00 0.00 51.96 53.07 1pmx s ALA 62 Cb -0.49 -3.29 0.37 0.00 0.00 0.00 0.00 23.12 19.72 1pmx s ALA 62 CO 0.34 -2.33 1.59 -1.00 0.00 0.00 0.00 175.76 174.36 1pmx h PRO 63 N -1.54 0.00 -7.00 0.00 0.13 -1.93 -3.46 132.00 118.20 1pmx h PRO 63 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 1pmx h PRO 63 Cb 1.26 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.61 1pmx h PRO 63 CO 0.50 0.45 -0.25 1.47 -0.23 0.00 0.00 178.00 179.94 1pmx n LEU 64 N -3.36 -1.89 -3.77 1.56 -0.00 -1.26 -5.07 117.00 103.21 1pmx n LEU 64 Ca 0.01 -0.27 -0.13 0.00 -0.00 0.00 0.00 56.01 55.62 1pmx n LEU 64 Cb 0.63 -1.16 -0.11 0.00 -0.00 0.00 0.00 43.42 42.78 1pmx n LEU 64 CO 0.39 -3.45 -0.03 -0.75 -0.00 0.00 0.00 177.39 173.54 1pmx s LYS 65 N -4.25 0.35 0.00 1.47 2.20 -1.26 -4.82 119.74 113.44 1pmx s LYS 65 Ca 0.66 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1pmx s LYS 65 Cb -0.22 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1pmx s LYS 65 CO 0.65 -0.04 0.00 -0.35 -0.36 0.00 0.00 175.35 175.24 1pmx n PRO 66 N 2.91 -0.85 -3.32 4.03 -0.04 -1.26 -5.03 135.00 131.44 1pmx n PRO 66 Ca -0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 1pmx n PRO 66 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 1pmx n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pmx s ALA 67 N -2.99 3.51 -0.06 0.55 0.00 -1.26 -5.09 121.76 116.42 1pmx s ALA 67 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 1pmx s ALA 67 Cb 0.00 -2.55 0.10 0.00 0.00 0.00 0.00 23.12 20.67 1pmx s ALA 67 CO 0.00 0.45 0.84 0.21 0.00 0.00 0.00 175.76 177.26 1pmx s LYS 68 N -2.60 0.85 -0.04 0.00 2.20 -1.26 -5.15 119.74 113.73 1pmx s LYS 68 Ca 0.46 0.02 -0.24 0.00 -0.36 0.00 0.00 55.97 55.86 1pmx s LYS 68 Cb -0.12 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1pmx s LYS 68 CO 0.20 -0.30 0.72 0.45 -0.36 0.00 0.00 175.35 176.05 1pmx s SER 69 N -1.59 7.04 0.00 1.43 0.15 -1.26 -5.31 113.70 114.16 1pmx s SER 69 Ca -0.03 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1pmx s SER 69 Cb -0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1pmx s SER 69 CO 0.00 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.36