#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 -0.35 1.61 0.04 -1.26 -5.02 135.00 134.01 1pmx s PRO 2 Ca 0.00 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1pmx s PRO 2 Cb 0.00 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 32.02 1pmx s PRO 2 CO 0.00 -0.36 0.11 -1.21 0.04 0.00 0.00 177.00 175.59 1pmx s GLU 3 N -2.43 2.36 0.31 4.56 8.01 -1.26 -5.08 118.70 125.18 1pmx s GLU 3 Ca 0.59 -1.44 0.05 0.00 0.01 0.00 0.00 54.97 54.18 1pmx s GLU 3 Cb -0.29 -3.43 -0.03 0.00 -4.31 0.00 0.00 34.13 26.07 1pmx s GLU 3 CO 0.36 -0.80 0.21 0.95 0.01 0.00 0.00 175.26 175.98 1pmx s THR 4 N 1.27 0.16 -0.19 3.63 -4.23 -1.26 -4.46 115.64 110.56 1pmx s THR 4 Ca 0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1pmx s THR 4 Cb -0.21 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.21 1pmx s THR 4 CO -0.01 0.00 0.05 -0.22 -0.54 0.00 0.00 174.62 173.90 1pmx s LEU 5 N -3.37 0.97 0.05 4.79 2.96 -1.24 -5.04 118.68 117.80 1pmx s LEU 5 Ca 0.37 -0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1pmx s LEU 5 Cb 0.04 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 1pmx s LEU 5 CO 0.21 -0.32 -0.02 0.00 -1.32 0.00 0.00 176.35 174.90 1pmx n GLY 7 N 0.21 1.02 0.31 0.00 0.00 -1.26 -3.09 105.19 102.38 1pmx n GLY 7 Ca -0.15 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 2.19 -0.34 4.61 0.00 -1.99 -1.97 119.26 121.27 1pmx h ALA 8 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pmx h ALA 8 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1pmx h ALA 8 CO 0.00 -0.29 0.21 0.93 0.00 0.00 0.00 179.25 180.10 1pmx h GLU 9 N 0.00 0.45 -0.37 0.00 5.08 -1.94 0.82 114.58 118.62 1pmx h GLU 9 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1pmx h GLU 9 Cb 0.44 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1pmx h GLU 9 CO -0.00 0.34 0.10 1.25 -1.00 0.00 0.00 179.01 179.69 1pmx h LEU 10 N 0.44 0.55 -0.77 1.33 5.85 -1.45 -2.13 115.31 119.14 1pmx h LEU 10 Ca 0.12 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 1pmx h LEU 10 Cb -0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1pmx h LEU 10 CO -0.02 0.63 -0.45 0.58 -0.34 0.00 0.00 178.44 178.84 1pmx h VAL 11 N 0.45 1.32 -0.07 1.05 2.07 -1.26 -2.71 116.25 117.10 1pmx h VAL 11 Ca 0.12 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 1pmx h VAL 11 Cb 0.29 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1pmx h VAL 11 CO -0.00 0.50 -0.25 0.44 0.02 0.00 0.00 177.57 178.28 1pmx h ASP 12 N 0.31 0.11 -0.02 0.57 5.19 0.87 -1.05 116.42 122.39 1pmx h ASP 12 Ca 0.02 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1pmx h ASP 12 Cb 0.91 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1pmx h ASP 12 CO 0.08 0.37 -0.23 0.00 -3.12 0.00 0.00 179.24 176.33 1pmx h ALA 13 N 1.64 0.05 -0.26 3.45 0.00 -1.17 -1.90 119.26 121.08 1pmx h ALA 13 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1pmx h ALA 13 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pmx h ALA 13 CO 0.04 0.07 0.14 -0.07 0.00 0.00 0.00 179.25 179.43 1pmx h LEU 14 N -0.43 0.33 -1.31 0.00 3.38 -1.37 0.33 115.31 116.23 1pmx h LEU 14 Ca -0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1pmx h LEU 14 Cb 0.94 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1pmx h LEU 14 CO 0.05 0.33 -0.17 0.06 0.09 0.00 0.00 178.44 178.80 1pmx h GLN 15 N 0.31 0.26 0.02 1.13 -0.00 -1.29 0.83 115.11 116.37 1pmx h GLN 15 Ca 0.09 -0.07 -0.22 0.00 -0.00 0.00 0.00 58.65 58.45 1pmx h GLN 15 Cb 0.07 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1pmx h GLN 15 CO -0.01 0.43 -0.96 0.35 -0.00 0.00 0.00 178.83 178.63 1pmx h PHE 16 N 0.24 0.46 0.00 0.06 3.57 -0.87 -1.52 116.94 118.89 1pmx h PHE 16 Ca 0.05 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1pmx h PHE 16 Cb 0.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1pmx h PHE 16 CO 0.01 1.10 -0.28 0.28 -2.23 0.00 0.00 178.31 177.19 1pmx h VAL 17 N 0.15 0.00 0.03 1.41 2.07 0.01 -3.42 116.25 116.50 1pmx h VAL 17 Ca -0.07 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1pmx h VAL 17 Cb 1.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1pmx h VAL 17 CO 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.73 1pmx n GLY 19 N 1.18 3.94 0.31 0.00 0.00 -0.57 -1.39 105.19 108.67 1pmx n GLY 19 Ca -0.08 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.40 1.61 3.32 -1.93 -2.00 116.42 117.02 1pmx h ASP 20 Ca 0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 1pmx h ASP 20 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1pmx h ASP 20 CO 0.00 0.00 0.29 0.03 -1.72 0.00 0.00 179.24 177.84 1pmx h ARG 21 N 0.00 0.00 -2.25 3.56 3.08 -1.54 -3.47 114.38 113.76 1pmx h ARG 21 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pmx h ARG 21 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1pmx h ARG 21 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1pmx n GLY 22 N -1.62 -2.53 3.90 0.04 0.00 -0.75 -3.67 105.19 100.56 1pmx n GLY 22 Ca 0.07 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.47 -0.06 1.61 -0.12 -1.26 -2.64 117.98 118.98 1pmx s PHE 23 Ca 0.00 0.62 0.02 0.00 -0.05 0.00 0.00 56.93 57.51 1pmx s PHE 23 Cb 0.00 -2.07 -0.03 0.00 -0.63 0.00 0.00 43.02 40.29 1pmx s PHE 23 CO 0.00 0.25 -0.09 0.71 -0.05 0.00 0.00 175.22 176.04 1pmx s TYR 24 N -1.96 2.86 0.05 3.49 2.02 -1.18 -5.02 117.35 117.62 1pmx s TYR 24 Ca 0.43 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 57.17 1pmx s TYR 24 Cb -0.11 -1.69 -0.22 0.00 -0.40 0.00 0.00 41.96 39.54 1pmx s TYR 24 CO 0.28 0.28 1.00 0.74 -1.57 0.00 0.00 175.55 176.28 1pmx h PHE 25 N 5.31 0.04 -3.41 2.71 -1.00 -1.99 -3.42 116.94 115.19 1pmx h PHE 25 Ca -0.48 -0.03 -0.64 0.00 2.81 0.00 0.00 57.97 59.64 1pmx h PHE 25 Cb 1.17 -0.00 -0.41 0.00 3.61 0.00 0.00 35.95 40.32 1pmx h PHE 25 CO 0.54 1.03 -0.66 -0.80 -1.61 0.00 0.00 178.31 176.82 1pmx s ASN 26 N -6.49 4.34 0.37 2.17 -0.87 -1.26 -3.40 114.94 109.81 1pmx s ASN 26 Ca -0.02 -2.81 -0.28 0.00 -1.57 0.00 0.00 52.86 48.18 1pmx s ASN 26 Cb 0.09 -1.58 -0.11 0.00 -0.02 0.00 0.00 41.25 39.63 1pmx s ASN 26 CO 0.82 -0.26 1.51 0.29 -2.57 0.00 0.00 177.10 176.89 1pmx n LYS 27 N 3.38 2.71 -2.21 -0.60 4.76 -1.26 -4.94 118.16 120.01 1pmx n LYS 27 Ca 0.05 0.95 -0.41 0.00 -2.87 0.00 0.00 58.31 56.03 1pmx n LYS 27 Cb 0.34 -2.70 -0.03 0.00 -1.84 0.00 0.00 35.03 30.80 1pmx n LYS 27 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pmx s PRO 28 N -1.91 4.39 -0.30 1.97 0.04 -1.26 -4.96 135.00 132.97 1pmx s PRO 28 Ca 0.54 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 1pmx s PRO 28 Cb -0.47 -3.17 0.16 0.00 0.04 0.00 0.00 34.50 31.06 1pmx s PRO 28 CO 0.62 -0.22 0.99 -0.08 0.04 0.00 0.00 177.00 178.35 1pmx s THR 29 N -0.15 -0.30 0.00 1.26 -1.32 -1.26 -5.10 115.64 108.77 1pmx s THR 29 Ca 0.55 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 1pmx s THR 29 Cb -0.37 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1pmx s THR 29 CO 0.41 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 1pmx n GLY 30 N 4.44 -1.09 3.75 6.08 0.00 -1.26 -5.09 105.19 112.02 1pmx n GLY 30 Ca -0.13 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pmx n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pmx s TYR 31 N -0.46 3.57 0.00 1.61 -0.85 -1.26 -5.02 117.35 114.95 1pmx s TYR 31 Ca 0.00 1.65 0.00 0.00 -0.52 0.00 0.00 57.07 58.20 1pmx s TYR 31 Cb 0.00 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 39.05 1pmx s TYR 31 CO 0.00 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 1pmx n GLY 32 N 1.51 1.90 0.11 5.49 0.00 -1.26 -5.07 105.19 107.88 1pmx n GLY 32 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 1.90 -4.77 1.61 7.64 -1.26 -4.98 113.62 113.76 1pmx n SER 33 Ca 0.00 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 59.99 1pmx n SER 33 Cb 0.00 -0.89 0.12 0.00 -1.01 0.00 0.00 64.21 62.44 1pmx n SER 33 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pmx s SER 34 N -6.92 3.76 -0.11 6.43 0.01 -1.26 -5.01 113.70 110.61 1pmx s SER 34 Ca -0.31 1.21 0.11 0.00 1.31 0.00 0.00 55.95 58.27 1pmx s SER 34 Cb 0.09 -1.87 0.24 0.00 0.21 0.00 0.00 66.02 64.69 1pmx s SER 34 CO 0.51 -2.42 1.18 -1.20 0.41 0.00 0.00 173.24 171.71 1pmx n SER 35 N -3.71 -0.40 0.08 2.44 7.64 -1.26 -4.92 113.62 113.49 1pmx n SER 35 Ca 0.07 -2.05 -0.10 0.00 1.01 0.00 0.00 58.87 57.79 1pmx n SER 35 Cb 0.57 0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.83 1pmx n SER 35 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1pmx h ARG 36 N 0.73 0.10 0.00 1.43 0.11 -2.04 -3.46 114.38 111.25 1pmx h ARG 36 Ca -0.42 -0.16 -0.27 0.00 0.10 0.00 0.00 59.98 59.23 1pmx h ARG 36 Cb 1.47 0.06 0.12 0.00 1.11 0.00 0.00 29.97 32.73 1pmx h ARG 36 CO -0.13 1.07 0.18 2.89 0.10 0.00 0.00 179.97 184.08 1pmx n ARG 37 N -3.42 -1.56 -1.00 0.08 0.00 -1.26 -5.01 116.66 104.49 1pmx n ARG 37 Ca -0.03 -1.23 -0.33 0.00 -0.00 0.00 0.00 57.85 56.26 1pmx n ARG 37 Cb 0.96 -0.96 0.13 0.00 -0.00 0.00 0.00 32.46 32.59 1pmx n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pmx n ALA 38 N -3.86 -0.74 -1.00 2.89 0.00 -1.26 -5.02 120.51 111.53 1pmx n ALA 38 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1pmx n ALA 38 Cb 0.37 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1pmx n ALA 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pmx n PRO 39 N -2.90 -0.32 -2.81 0.00 -0.04 -1.26 -4.94 135.00 122.72 1pmx n PRO 39 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1pmx n PRO 39 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1pmx n PRO 39 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1pmx s GLN 40 N -2.65 3.56 -0.07 0.54 -0.21 -1.26 -4.95 119.66 114.61 1pmx s GLN 40 Ca 0.00 -1.50 -0.17 0.00 0.02 0.00 0.00 55.36 53.72 1pmx s GLN 40 Cb 0.00 -4.99 0.04 0.00 1.00 0.00 0.00 33.01 29.06 1pmx s GLN 40 CO 0.00 -1.90 0.40 0.95 -2.12 0.00 0.00 175.29 172.61 1pmx s THR 41 N 3.47 0.03 0.00 -0.19 -4.23 -1.26 -5.13 115.64 108.32 1pmx s THR 41 Ca 0.36 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1pmx s THR 41 Cb -0.04 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1pmx s THR 41 CO -0.08 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1pmx n GLY 42 N 1.84 0.22 0.12 3.99 0.00 -1.26 -4.83 105.19 105.27 1pmx n GLY 42 Ca -0.18 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 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 1.64 0.16 -0.61 0.13 -1.22 -3.56 119.36 115.90 1pmx n ILE 43 Ca 0.00 -0.70 -0.06 0.00 -1.10 0.00 0.00 62.75 60.89 1pmx n ILE 43 Cb 0.00 -1.36 -0.03 0.00 -0.84 0.00 0.00 39.64 37.41 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 0.03 0.00 0.00 9.51 2.07 -1.95 0.47 116.25 126.38 1pmx h VAL 44 Ca -0.44 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 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 0.04 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 178.07 1pmx h ASP 45 N -0.44 0.00 0.51 0.57 5.19 -1.95 0.89 116.42 121.19 1pmx h ASP 45 Ca -0.04 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.11 1pmx h ASP 45 Cb 0.31 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 1pmx h ASP 45 CO 0.07 0.00 -1.68 1.21 -3.12 0.00 0.00 179.24 175.72 1pmx n GLU 46 N -3.18 0.63 0.00 3.56 4.07 -1.15 -4.17 120.64 120.40 1pmx n GLU 46 Ca -0.03 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1pmx n GLU 46 Cb 0.10 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 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 0.20 0.17 -2.17 0.00 -1.00 -1.49 -3.44 116.94 109.21 1pmx h PHE 49 Ca -0.03 -0.12 -0.61 0.00 2.81 0.00 0.00 57.97 60.02 1pmx h PHE 49 Cb 1.29 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.71 1pmx h PHE 49 CO 0.03 1.34 -0.75 -0.98 -1.61 0.00 0.00 178.31 176.34 1pmx s ARG 50 N -2.36 1.70 -0.31 1.51 1.70 -1.25 -5.08 118.95 114.87 1pmx s ARG 50 Ca -0.22 -1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 52.96 1pmx s ARG 50 Cb 0.02 -1.76 0.01 0.00 -0.57 0.00 0.00 34.95 32.66 1pmx s ARG 50 CO 0.69 0.30 1.11 -1.54 -1.08 0.00 0.00 175.30 174.79 1pmx s SER 51 N -3.52 6.90 0.06 -2.89 1.04 -1.26 -3.59 113.70 110.43 1pmx s SER 51 Ca 0.30 1.10 0.01 0.00 0.48 0.00 0.00 55.95 57.84 1pmx s SER 51 Cb -0.04 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.54 1pmx s SER 51 CO 0.15 -0.90 0.05 0.00 0.98 0.00 0.00 173.24 173.52 1pmx s ASP 53 N -1.35 5.93 0.56 0.00 -4.77 -1.26 -4.98 116.67 110.79 1pmx s ASP 53 Ca 0.03 0.24 0.25 0.00 -3.30 0.00 0.00 52.55 49.78 1pmx s ASP 53 Cb -0.00 -1.95 1.54 0.00 -1.09 0.00 0.00 42.92 41.42 1pmx s ASP 53 CO 0.02 0.28 2.12 -0.07 0.70 0.00 0.00 175.17 178.22 1pmx h LEU 54 N 5.92 0.00 -2.28 2.11 4.07 -2.04 -1.33 115.31 121.77 1pmx h LEU 54 Ca -0.45 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.54 1pmx h LEU 54 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.92 1pmx h LEU 54 CO 0.65 0.00 0.11 0.03 -1.08 0.00 0.00 178.44 178.16 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 -0.00 -2.04 -0.75 114.38 112.72 1pmx h ARG 55 Ca 0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.54 1pmx h ARG 55 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.37 1pmx h ARG 55 CO -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 179.97 179.87 1pmx h ARG 56 N 0.00 0.00 -0.36 0.04 2.47 -1.66 -2.22 114.38 112.65 1pmx h ARG 56 Ca 0.05 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.88 1pmx h ARG 56 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1pmx h ARG 56 CO -0.00 0.10 0.27 -0.07 0.56 0.00 0.00 179.97 180.83 1pmx h LEU 57 N 0.00 0.00 -1.04 3.04 3.38 -1.32 -0.05 115.31 119.32 1pmx h LEU 57 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1pmx h LEU 57 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pmx h LEU 57 CO 0.01 0.00 -0.47 -0.33 0.09 0.00 0.00 178.44 177.74 1pmx h GLU 58 N 0.00 0.00 -0.01 1.13 5.08 -1.57 -3.19 114.58 116.01 1pmx h GLU 58 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1pmx h GLU 58 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pmx h GLU 58 CO -0.00 0.47 0.00 0.52 -1.00 0.00 0.00 179.01 179.00 1pmx h MET 59 N 0.00 0.02 -0.19 2.33 2.86 -1.14 -2.87 114.93 115.94 1pmx h MET 59 Ca -0.00 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1pmx h MET 59 Cb 0.85 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1pmx h MET 59 CO 0.06 0.27 0.22 1.88 1.06 0.00 0.00 176.91 180.40 1pmx h TYR 60 N -0.24 0.00 -3.33 -0.22 0.05 -1.55 -3.42 116.97 108.26 1pmx h TYR 60 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.26 1pmx h TYR 60 Cb 0.26 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.06 1pmx h TYR 60 CO 0.01 0.00 0.78 0.00 -1.05 0.00 0.00 178.16 177.91 1pmx s ALA 62 N 0.08 1.92 0.41 0.00 0.00 -1.08 -4.93 121.76 118.16 1pmx s ALA 62 Ca 0.61 0.53 0.13 0.00 0.00 0.00 0.00 51.96 53.22 1pmx s ALA 62 Cb -0.43 -3.38 0.87 0.00 0.00 0.00 0.00 23.12 20.18 1pmx s ALA 62 CO 0.43 -2.17 1.92 -1.00 0.00 0.00 0.00 175.76 174.94 1pmx h PRO 63 N -1.23 0.04 -7.06 0.00 0.13 -1.93 -3.45 132.00 118.51 1pmx h PRO 63 Ca -0.44 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 1pmx h PRO 63 Cb 1.26 -0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.60 1pmx h PRO 63 CO 0.47 0.28 -0.08 -0.48 -0.23 0.00 0.00 178.00 177.95 1pmx s LEU 64 N -8.51 -0.38 0.10 1.56 2.34 -1.26 -5.07 118.68 107.46 1pmx s LEU 64 Ca -0.04 1.18 -0.03 0.00 0.06 0.00 0.00 54.13 55.30 1pmx s LEU 64 Cb 0.15 -2.79 -0.03 0.00 -0.56 0.00 0.00 46.19 42.96 1pmx s LEU 64 CO 0.71 -4.97 0.08 -0.54 -1.06 0.00 0.00 176.35 170.57 1pmx s LYS 65 N -4.73 0.84 -0.12 1.48 1.02 -1.26 -4.80 119.74 112.16 1pmx s LYS 65 Ca 0.69 -1.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1pmx s LYS 65 Cb -0.19 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.32 1pmx s LYS 65 CO 0.62 -0.23 1.90 -1.25 -0.92 0.00 0.00 175.35 175.47 1pmx s PRO 66 N -3.96 3.77 0.04 -1.68 0.04 -1.26 -4.91 135.00 127.03 1pmx s PRO 66 Ca 0.14 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 63.04 1pmx s PRO 66 Cb 0.07 -4.17 0.10 0.00 0.04 0.00 0.00 34.50 30.54 1pmx s PRO 66 CO -0.04 -1.36 1.21 0.00 0.04 0.00 0.00 177.00 176.85 1pmx s ALA 67 N 5.69 -2.16 -1.11 8.56 0.00 -1.26 -5.08 121.76 126.41 1pmx s ALA 67 Ca 0.85 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 1pmx s ALA 67 Cb -0.34 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1pmx s ALA 67 CO 0.35 -1.10 1.67 0.15 0.00 0.00 0.00 175.76 176.83 1pmx s LYS 68 N -2.27 3.44 0.27 0.00 3.01 -1.26 -4.86 119.74 118.07 1pmx s LYS 68 Ca 0.22 -1.27 -0.20 0.00 -1.01 0.00 0.00 55.97 53.71 1pmx s LYS 68 Cb 0.01 -5.36 0.05 0.00 -1.01 0.00 0.00 37.83 31.52 1pmx s LYS 68 CO -0.00 -2.60 0.87 -1.12 0.51 0.00 0.00 175.35 173.01 1pmx s SER 69 N 5.38 -0.09 0.00 2.83 0.01 -1.26 -5.25 113.70 115.31 1pmx s SER 69 Ca 0.55 -0.77 0.27 0.00 1.31 0.00 0.00 55.95 57.31 1pmx s SER 69 Cb 0.00 0.67 0.94 0.00 0.21 0.00 0.00 66.02 67.84 1pmx s SER 69 CO -0.01 -1.30 1.68 0.00 0.41 0.00 0.00 173.24 174.03