#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmx n PRO 2 N 0.00 2.80 -2.67 1.61 -0.04 -1.26 -4.75 135.00 130.69 1pmx n PRO 2 Ca 0.00 -1.66 -0.42 0.00 -0.04 0.00 0.00 63.50 61.39 1pmx n PRO 2 Cb 0.00 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1pmx n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pmx s GLU 3 N -1.90 3.25 0.43 0.54 8.01 -1.26 -4.98 118.70 122.80 1pmx s GLU 3 Ca 0.29 -0.65 0.03 0.00 0.01 0.00 0.00 54.97 54.65 1pmx s GLU 3 Cb 0.23 -4.42 -0.03 0.00 -4.31 0.00 0.00 34.13 25.60 1pmx s GLU 3 CO 0.08 -2.03 0.06 0.95 0.01 0.00 0.00 175.26 174.32 1pmx s THR 4 N 4.92 1.06 -0.21 3.63 -4.23 -1.26 -4.44 115.64 115.11 1pmx s THR 4 Ca 0.33 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1pmx s THR 4 Cb -0.09 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1pmx s THR 4 CO 0.08 0.00 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.93 1pmx s LEU 5 N -3.70 1.95 0.08 4.79 2.96 -1.23 -5.01 118.68 118.51 1pmx s LEU 5 Ca 0.21 -1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1pmx s LEU 5 Cb 0.04 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1pmx s LEU 5 CO 0.11 -0.26 0.00 0.00 -1.32 0.00 0.00 176.35 174.88 1pmx n GLY 7 N 0.04 2.74 0.30 0.00 0.00 -1.26 -2.31 105.19 104.70 1pmx n GLY 7 Ca -0.11 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.88 2.15 -0.86 4.61 0.00 -1.98 -1.67 119.26 120.63 1pmx h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pmx h ALA 8 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pmx h ALA 8 CO 0.00 -0.20 0.55 0.93 0.00 0.00 0.00 179.25 180.53 1pmx h GLU 9 N 0.01 1.15 -0.22 0.00 5.08 -1.85 0.81 114.58 119.56 1pmx h GLU 9 Ca 0.08 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1pmx h GLU 9 Cb 0.32 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pmx h GLU 9 CO -0.00 0.78 -0.26 1.25 -1.00 0.00 0.00 179.01 179.77 1pmx h LEU 10 N 1.17 0.62 -0.85 1.33 5.85 -1.34 -2.57 115.31 119.52 1pmx h LEU 10 Ca 0.31 -0.49 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1pmx h LEU 10 Cb -0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1pmx h LEU 10 CO -0.06 0.99 -0.51 0.58 -0.34 0.00 0.00 178.44 179.09 1pmx h VAL 11 N 0.26 1.36 -0.52 1.05 2.07 -1.19 -2.75 116.25 116.53 1pmx h VAL 11 Ca 0.03 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 1pmx h VAL 11 Cb 0.83 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1pmx h VAL 11 CO 0.06 0.52 0.07 0.44 0.02 0.00 0.00 177.57 178.68 1pmx h ASP 12 N 0.13 0.85 -0.09 0.57 5.19 0.70 -1.17 116.42 122.60 1pmx h ASP 12 Ca 0.00 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1pmx h ASP 12 Cb 0.95 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 1pmx h ASP 12 CO 0.07 0.91 0.00 0.00 -3.12 0.00 0.00 179.24 177.11 1pmx h ALA 13 N 0.97 0.13 -0.85 3.45 0.00 -1.38 0.95 119.26 122.54 1pmx h ALA 13 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pmx h ALA 13 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1pmx h ALA 13 CO 0.01 -0.20 0.56 -0.07 0.00 0.00 0.00 179.25 179.55 1pmx h LEU 14 N -0.11 0.98 -0.55 0.00 3.38 -1.45 0.78 115.31 118.34 1pmx h LEU 14 Ca 0.03 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1pmx h LEU 14 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pmx h LEU 14 CO 0.00 0.72 -0.69 1.56 0.09 0.00 0.00 178.44 180.12 1pmx h GLN 15 N 1.15 0.19 0.05 1.13 4.20 -1.10 0.74 115.11 121.48 1pmx h GLN 15 Ca 0.31 -0.16 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 1pmx h GLN 15 Cb -0.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1pmx h GLN 15 CO -0.07 0.80 -1.06 0.35 -0.67 0.00 0.00 178.83 178.19 1pmx h PHE 16 N 0.13 0.21 0.10 2.96 3.57 0.08 0.11 116.94 124.11 1pmx h PHE 16 Ca -0.02 -0.15 -0.28 0.00 3.53 0.00 0.00 57.97 61.06 1pmx h PHE 16 Cb 1.23 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1pmx h PHE 16 CO 0.02 1.09 -1.48 0.28 -2.23 0.00 0.00 178.31 175.99 1pmx h VAL 17 N 0.04 0.95 0.00 1.41 2.07 0.60 -3.42 116.25 117.89 1pmx h VAL 17 Ca -0.06 -2.35 -0.39 0.00 0.82 0.00 0.00 66.70 64.72 1pmx h VAL 17 Cb 1.79 2.61 -0.06 0.00 -1.52 0.00 0.00 31.29 34.11 1pmx h VAL 17 CO 0.16 0.68 -2.27 0.00 0.02 0.00 0.00 177.57 176.15 1pmx n GLY 19 N 1.32 0.27 0.09 0.00 0.00 0.39 -0.87 105.19 106.39 1pmx n GLY 19 Ca -0.47 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1pmx n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pmx h ASP 20 N 0.00 0.00 -0.56 1.61 5.19 -1.92 -3.32 116.42 117.41 1pmx h ASP 20 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1pmx h ASP 20 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1pmx h ASP 20 CO 0.00 0.84 0.38 0.03 -3.12 0.00 0.00 179.24 177.37 1pmx h ARG 21 N 0.00 0.50 0.00 3.56 3.08 -1.32 -3.48 114.38 116.72 1pmx h ARG 21 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1pmx h ARG 21 Cb 1.74 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1pmx h ARG 21 CO 0.09 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.73 1pmx n GLY 22 N -1.49 0.39 2.97 0.04 0.00 -1.25 -3.71 105.19 102.14 1pmx n GLY 22 Ca 0.08 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.75 0.07 -0.17 1.61 -0.71 -1.26 -1.77 117.98 113.00 1pmx s PHE 23 Ca 0.00 -0.15 -0.04 0.00 -1.04 0.00 0.00 56.93 55.71 1pmx s PHE 23 Cb 0.00 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1pmx s PHE 23 CO 0.00 -0.12 -0.03 0.71 -1.34 0.00 0.00 175.22 174.43 1pmx s TYR 24 N -0.71 3.01 0.38 3.49 2.02 -1.26 -4.99 117.35 119.28 1pmx s TYR 24 Ca -0.08 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.31 1pmx s TYR 24 Cb -0.05 -2.00 0.74 0.00 -0.40 0.00 0.00 41.96 40.26 1pmx s TYR 24 CO -0.00 -0.15 1.87 0.74 -1.57 0.00 0.00 175.55 176.44 1pmx h PHE 25 N 7.03 0.16 -3.55 2.71 -1.00 -2.01 -3.39 116.94 116.90 1pmx h PHE 25 Ca -0.33 -0.03 -0.62 0.00 2.81 0.00 0.00 57.97 59.81 1pmx h PHE 25 Cb 1.19 -0.04 -0.39 0.00 3.61 0.00 0.00 35.95 40.31 1pmx h PHE 25 CO 0.55 0.39 -0.76 -0.80 -1.61 0.00 0.00 178.31 176.08 1pmx s ASN 26 N -6.91 4.18 0.27 2.17 -0.87 -1.26 -3.99 114.94 108.54 1pmx s ASN 26 Ca -0.04 -1.57 -0.29 0.00 -1.57 0.00 0.00 52.86 49.38 1pmx s ASN 26 Cb 0.15 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.25 40.03 1pmx s ASN 26 CO 0.73 -0.32 1.32 -0.54 -2.57 0.00 0.00 177.10 175.73 1pmx s LYS 27 N 1.29 4.37 -0.08 -0.60 -0.14 -1.26 -4.97 119.74 118.34 1pmx s LYS 27 Ca 0.02 2.16 -0.30 0.00 -1.36 0.00 0.00 55.97 56.50 1pmx s LYS 27 Cb -0.19 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1pmx s LYS 27 CO -0.11 -0.23 1.16 -1.25 -0.76 0.00 0.00 175.35 174.16 1pmx s PRO 28 N -1.00 4.36 -0.29 -1.68 0.04 -1.26 -4.99 135.00 130.18 1pmx s PRO 28 Ca 0.53 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.22 1pmx s PRO 28 Cb -0.39 -3.57 0.19 0.00 0.04 0.00 0.00 34.50 30.78 1pmx s PRO 28 CO 0.46 -0.44 0.55 0.95 0.04 0.00 0.00 177.00 178.56 1pmx s THR 29 N 2.28 -0.92 0.00 1.26 -4.23 -1.26 -5.07 115.64 107.69 1pmx s THR 29 Ca 0.54 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1pmx s THR 29 Cb -0.23 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1pmx s THR 29 CO 0.20 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1pmx n GLY 30 N 5.41 -2.83 0.01 3.99 0.00 -1.26 -5.05 105.19 105.46 1pmx n GLY 30 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 1pmx n GLY 30 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pmx h TYR 31 N 0.00 0.00 0.00 1.61 -1.99 -2.03 -3.48 116.97 111.09 1pmx h TYR 31 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pmx h TYR 31 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1pmx h TYR 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1pmx n GLY 32 N 1.85 1.47 1.71 3.88 0.00 -1.26 -4.79 105.19 108.04 1pmx n GLY 32 Ca -0.01 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 6.92 -0.66 -4.61 1.61 2.88 -1.26 -5.11 113.62 113.39 1pmx n SER 33 Ca 0.00 -1.98 -0.43 0.00 -1.33 0.00 0.00 58.87 55.13 1pmx n SER 33 Cb 0.00 1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 64.68 1pmx n SER 33 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pmx s SER 34 N -2.11 6.21 -0.30 -3.46 0.15 -1.26 -4.97 113.70 107.95 1pmx s SER 34 Ca 0.15 1.40 -0.15 0.00 0.70 0.00 0.00 55.95 58.05 1pmx s SER 34 Cb -0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1pmx s SER 34 CO 0.11 -1.43 0.37 -0.44 1.20 0.00 0.00 173.24 173.05 1pmx s SER 35 N 4.81 6.22 0.01 5.45 0.01 -1.26 -4.94 113.70 124.00 1pmx s SER 35 Ca 0.73 0.06 0.01 0.00 1.31 0.00 0.00 55.95 58.06 1pmx s SER 35 Cb -0.22 -2.21 -0.26 0.00 0.21 0.00 0.00 66.02 63.54 1pmx s SER 35 CO 0.31 -0.26 0.89 -0.09 0.41 0.00 0.00 173.24 174.50 1pmx h ARG 36 N 8.31 0.18 -2.50 12.44 9.65 -2.05 -3.45 114.38 136.96 1pmx h ARG 36 Ca -0.31 -0.30 -0.23 0.00 -1.10 0.00 0.00 59.98 58.04 1pmx h ARG 36 Cb 1.15 0.11 -0.33 0.00 -1.39 0.00 0.00 29.97 29.52 1pmx h ARG 36 CO 0.67 1.01 -0.54 -0.98 2.80 0.00 0.00 179.97 182.92 1pmx s ARG 37 N -2.63 0.22 0.13 0.20 1.70 -1.26 -5.15 118.95 112.16 1pmx s ARG 37 Ca -0.07 0.52 -0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1pmx s ARG 37 Cb 0.07 -0.54 0.07 0.00 -0.57 0.00 0.00 34.95 33.99 1pmx s ARG 37 CO 0.84 -0.50 0.68 0.00 -1.08 0.00 0.00 175.30 175.24 1pmx s ALA 38 N 2.43 -1.63 -0.43 7.88 0.00 -1.26 -5.12 121.76 123.62 1pmx s ALA 38 Ca 0.06 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1pmx s ALA 38 Cb -0.14 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1pmx s ALA 38 CO -0.12 -0.77 1.61 -1.25 0.00 0.00 0.00 175.76 175.23 1pmx s PRO 39 N -3.61 3.33 -0.15 0.00 0.04 -1.26 -4.99 135.00 128.36 1pmx s PRO 39 Ca 0.03 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 1pmx s PRO 39 Cb -0.01 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1pmx s PRO 39 CO -0.11 -1.88 0.03 1.14 0.04 0.00 0.00 177.00 176.22 1pmx s GLN 40 N 5.55 3.65 0.23 4.56 -2.07 -1.26 -5.10 119.66 125.23 1pmx s GLN 40 Ca 0.67 -0.39 -0.11 0.00 -1.82 0.00 0.00 55.36 53.71 1pmx s GLN 40 Cb -0.16 -3.04 -0.01 0.00 -1.09 0.00 0.00 33.01 28.71 1pmx s GLN 40 CO 0.30 0.39 0.41 0.95 -1.32 0.00 0.00 175.29 176.02 1pmx s THR 41 N 0.02 0.01 0.00 3.63 -4.23 -1.26 -5.03 115.64 108.78 1pmx s THR 41 Ca 0.04 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1pmx s THR 41 Cb -0.13 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1pmx s THR 41 CO 0.01 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1pmx n GLY 42 N -0.34 -0.53 0.08 3.99 0.00 -1.26 -4.82 105.19 102.31 1pmx n GLY 42 Ca -0.02 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 0.95 0.37 -0.61 0.13 -1.26 -4.15 119.36 114.80 1pmx n ILE 43 Ca 0.00 -0.46 -0.18 0.00 -1.10 0.00 0.00 62.75 61.00 1pmx n ILE 43 Cb 0.00 -0.89 -0.09 0.00 -0.84 0.00 0.00 39.64 37.82 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 0.19 0.00 9.51 2.07 -1.94 0.73 116.25 126.81 1pmx h VAL 44 Ca -0.37 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1pmx h VAL 44 Cb 1.70 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1pmx h VAL 44 CO -0.02 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.91 1pmx h ASP 45 N -1.00 0.00 0.78 0.57 5.19 -1.95 0.86 116.42 120.87 1pmx h ASP 45 Ca -0.08 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.21 1pmx h ASP 45 Cb 0.81 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1pmx h ASP 45 CO 0.08 0.09 -1.30 1.21 -3.12 0.00 0.00 179.24 176.21 1pmx n GLU 46 N -3.30 0.62 -0.02 3.56 4.07 -1.01 -3.72 120.64 120.84 1pmx n GLU 46 Ca -0.00 0.18 -0.04 0.00 -0.06 0.00 0.00 57.16 57.24 1pmx n GLU 46 Cb 0.30 -1.81 -0.01 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.71 0.86 -3.95 0.00 -1.00 -1.34 -3.44 116.94 107.36 1pmx h PHE 49 Ca -0.02 -0.10 -0.17 0.00 2.81 0.00 0.00 57.97 60.50 1pmx h PHE 49 Cb 0.54 -0.24 -0.21 0.00 3.61 0.00 0.00 35.95 39.64 1pmx h PHE 49 CO 0.09 0.75 -0.69 -0.98 -1.61 0.00 0.00 178.31 175.88 1pmx s ARG 50 N -5.11 0.32 0.40 1.51 1.70 -1.23 -5.05 118.95 111.49 1pmx s ARG 50 Ca -0.10 -0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 54.30 1pmx s ARG 50 Cb 0.15 0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 1pmx s ARG 50 CO 0.81 -0.05 1.49 -1.54 -1.08 0.00 0.00 175.30 174.92 1pmx s SER 51 N -1.43 6.20 0.19 -2.89 1.04 -1.25 -3.01 113.70 112.55 1pmx s SER 51 Ca -0.16 3.05 0.02 0.00 0.48 0.00 0.00 55.95 59.35 1pmx s SER 51 Cb -0.10 -2.67 -0.01 0.00 0.10 0.00 0.00 66.02 63.35 1pmx s SER 51 CO -0.01 -0.97 0.09 0.00 0.98 0.00 0.00 173.24 173.33 1pmx s ASP 53 N -2.19 4.96 0.58 0.00 -4.77 -1.26 -4.99 116.67 109.00 1pmx s ASP 53 Ca 0.12 -0.12 0.28 0.00 -3.30 0.00 0.00 52.55 49.53 1pmx s ASP 53 Cb 0.01 -1.83 1.51 0.00 -1.09 0.00 0.00 42.92 41.52 1pmx s ASP 53 CO 0.09 0.12 1.96 -0.07 0.70 0.00 0.00 175.17 177.98 1pmx h LEU 54 N 7.05 0.00 -2.52 2.11 -0.00 -2.02 0.23 115.31 120.16 1pmx h LEU 54 Ca -0.34 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1pmx h LEU 54 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1pmx h LEU 54 CO 0.63 0.00 0.11 0.03 -0.00 0.00 0.00 178.44 179.21 1pmx h ARG 55 N 0.00 0.00 -0.03 1.13 3.08 -2.05 -0.64 114.38 115.87 1pmx h ARG 55 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1pmx h ARG 55 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pmx h ARG 55 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 1pmx n ARG 56 N -3.42 1.10 0.01 0.04 5.12 0.07 -3.72 116.66 115.85 1pmx n ARG 56 Ca -0.02 -0.15 -0.20 0.00 -1.93 0.00 0.00 57.85 55.55 1pmx n ARG 56 Cb 0.19 -1.17 -0.14 0.00 -1.16 0.00 0.00 32.46 30.18 1pmx n ARG 56 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pmx n LEU 57 N -0.51 2.50 0.19 0.55 4.77 -0.25 -4.12 117.00 120.13 1pmx n LEU 57 Ca 0.08 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1pmx n LEU 57 Cb 0.07 -1.03 0.65 0.00 -2.33 0.00 0.00 43.42 40.78 1pmx n LEU 57 CO 0.06 0.82 1.10 -0.08 -1.33 0.00 0.00 177.39 177.96 1pmx h GLU 58 N 0.07 0.01 -0.14 3.23 4.22 -1.74 -1.43 114.58 118.80 1pmx h GLU 58 Ca -0.41 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 58.99 1pmx h GLU 58 Cb 2.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 1pmx h GLU 58 CO 0.09 0.00 -0.11 0.00 -2.18 0.00 0.00 179.01 176.82 1pmx h MET 59 N 0.01 0.21 0.00 1.92 -0.00 -1.77 -2.37 114.93 112.93 1pmx h MET 59 Ca 0.06 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.62 1pmx h MET 59 Cb 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 1pmx h MET 59 CO -0.00 0.34 -0.48 1.88 -0.00 0.00 0.00 176.91 178.65 1pmx h TYR 60 N 0.20 0.00 -2.74 -0.10 -1.99 -1.45 -3.44 116.97 107.46 1pmx h TYR 60 Ca 0.04 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.25 1pmx h TYR 60 Cb 0.33 0.00 0.06 0.00 2.00 0.00 0.00 36.73 39.12 1pmx h TYR 60 CO 0.00 0.48 0.98 0.00 -0.00 0.00 0.00 178.16 179.62 1pmx n ALA 62 N 3.89 -0.88 0.24 0.00 0.00 -0.73 -4.90 120.51 118.12 1pmx n ALA 62 Ca 0.15 -0.43 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1pmx n ALA 62 Cb 0.36 -2.10 0.58 0.00 0.00 0.00 0.00 19.45 18.29 1pmx n ALA 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pmx h PRO 63 N -1.20 0.00 -7.10 0.00 0.13 -1.93 -3.45 132.00 118.45 1pmx h PRO 63 Ca -0.45 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.26 1pmx h PRO 63 Cb 1.29 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.64 1pmx h PRO 63 CO 0.42 0.19 -0.04 -0.48 -0.23 0.00 0.00 178.00 177.86 1pmx s LEU 64 N -7.11 0.23 0.07 1.56 2.34 -1.26 -5.07 118.68 109.44 1pmx s LEU 64 Ca -0.01 1.36 -0.14 0.00 0.06 0.00 0.00 54.13 55.40 1pmx s LEU 64 Cb 0.12 -3.12 0.02 0.00 -0.56 0.00 0.00 46.19 42.65 1pmx s LEU 64 CO 0.62 -4.61 0.32 -1.59 -1.06 0.00 0.00 176.35 170.04 1pmx s LYS 65 N -4.55 0.90 0.49 1.48 0.00 -1.26 -4.81 119.74 111.99 1pmx s LYS 65 Ca 0.69 -0.62 -0.21 0.00 0.00 0.00 0.00 55.97 55.82 1pmx s LYS 65 Cb -0.23 0.39 -0.07 0.00 0.00 0.00 0.00 37.83 37.92 1pmx s LYS 65 CO 0.64 -0.31 1.14 -1.25 0.00 0.00 0.00 175.35 175.56 1pmx s PRO 66 N -3.12 3.61 0.08 1.78 0.04 -1.21 -4.79 135.00 131.39 1pmx s PRO 66 Ca -0.01 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1pmx s PRO 66 Cb 0.01 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1pmx s PRO 66 CO -0.07 -0.65 0.00 0.00 0.04 0.00 0.00 177.00 176.32 1pmx n ALA 67 N -0.85 1.13 0.00 8.56 0.00 -1.23 -5.00 120.51 123.13 1pmx n ALA 67 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pmx n ALA 67 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1pmx n ALA 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pmx n LYS 68 N -2.69 0.00 -1.48 0.00 2.85 -1.26 -4.98 118.16 110.60 1pmx n LYS 68 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1pmx n LYS 68 Cb 0.00 -0.11 -0.01 0.00 -0.65 0.00 0.00 35.03 34.26 1pmx n LYS 68 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1pmx n SER 69 N -2.34 -0.98 0.00 -5.58 2.88 -1.26 -5.32 113.62 101.02 1pmx n SER 69 Ca 0.00 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1pmx n SER 69 Cb 0.02 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1pmx n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81