#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpm s SER 14 N 0.00 5.02 -0.04 4.39 0.01 -1.26 -5.09 113.70 116.74 1qpm s SER 14 Ca 0.00 0.83 0.01 0.00 1.31 0.00 0.00 55.95 58.11 1qpm s SER 14 Cb 0.00 -1.52 0.02 0.00 0.21 0.00 0.00 66.02 64.72 1qpm s SER 14 CO 0.00 -1.55 -0.06 -0.63 0.41 0.00 0.00 173.24 171.42 1qpm s ILE 15 N -3.37 0.59 -0.10 1.44 1.09 -1.26 -5.14 121.20 114.46 1qpm s ILE 15 Ca 0.59 -0.18 -0.05 0.00 -1.10 0.00 0.00 60.65 59.91 1qpm s ILE 15 Cb -0.11 -0.59 0.04 0.00 -1.06 0.00 0.00 42.46 40.75 1qpm s ILE 15 CO 0.49 0.23 0.23 0.26 -0.10 0.00 0.00 174.94 176.04 1qpm s TRP 16 N 0.73 -0.30 0.03 3.97 0.52 -1.26 -4.02 118.94 118.60 1qpm s TRP 16 Ca -0.10 0.72 -0.00 0.00 0.02 0.00 0.00 56.10 56.74 1qpm s TRP 16 Cb -0.13 0.03 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 1qpm s TRP 16 CO 0.01 -0.21 -0.03 0.00 0.02 0.00 0.00 176.95 176.73 1qpm s SER 18 N -1.72 5.26 0.59 0.00 1.04 -1.26 -1.39 113.70 116.22 1qpm s SER 18 Ca -0.12 1.51 0.29 0.00 0.48 0.00 0.00 55.95 58.12 1qpm s SER 18 Cb -0.07 -2.37 1.79 0.00 0.10 0.00 0.00 66.02 65.48 1qpm s SER 18 CO -0.02 -1.51 2.24 1.55 0.98 0.00 0.00 173.24 176.47 1qpm h PRO 19 N -0.76 0.00 -0.61 4.02 0.13 -1.96 -2.16 132.00 130.65 1qpm h PRO 19 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1qpm h PRO 19 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1qpm h PRO 19 CO 0.58 0.00 0.41 1.96 -0.23 0.00 0.00 178.00 180.72 1qpm h GLN 20 N 0.00 0.80 -0.69 0.86 7.50 -1.93 0.76 115.11 122.41 1qpm h GLN 20 Ca 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1qpm h GLN 20 Cb 0.06 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.38 1qpm h GLN 20 CO -0.00 0.53 0.44 0.93 -1.50 0.00 0.00 178.83 179.23 1qpm h GLU 21 N 0.83 0.93 -0.07 1.46 5.08 -1.76 -2.65 114.58 118.40 1qpm h GLU 21 Ca 0.22 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1qpm h GLU 21 Cb -0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 1qpm h GLU 21 CO -0.05 0.64 -0.01 0.82 -1.00 0.00 0.00 179.01 179.41 1qpm h ILE 22 N 0.94 1.27 -0.36 3.13 2.04 -1.22 -2.74 117.51 120.59 1qpm h ILE 22 Ca 0.25 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.37 1qpm h ILE 22 Cb -0.07 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1qpm h ILE 22 CO -0.05 0.24 0.69 0.24 0.00 0.00 0.00 178.15 179.26 1qpm h MET 23 N -0.19 0.00 0.00 2.37 2.86 0.84 0.99 114.93 121.80 1qpm h MET 23 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1qpm h MET 23 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1qpm h MET 23 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 1qpm n ALA 24 N -2.03 2.24 -2.71 6.32 0.00 -1.03 -4.73 120.51 118.57 1qpm n ALA 24 Ca 0.07 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1qpm n ALA 24 Cb 0.83 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1qpm n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qpm s ALA 25 N -3.01 3.34 0.23 0.00 0.00 0.34 -4.94 121.76 117.72 1qpm s ALA 25 Ca 0.13 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1qpm s ALA 25 Cb 0.17 -3.07 0.22 0.00 0.00 0.00 0.00 23.12 20.44 1qpm s ALA 25 CO 0.50 -0.23 1.85 -0.44 0.00 0.00 0.00 175.76 177.45 1qpm h ASP 26 N 6.88 1.12 0.00 0.00 3.32 -1.85 -1.54 116.42 124.35 1qpm h ASP 26 Ca -0.39 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1qpm h ASP 26 Cb 1.19 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1qpm h ASP 26 CO 0.77 0.91 0.05 0.61 -1.72 0.00 0.00 179.24 179.86 1qpm n GLY 27 N -1.11 -0.58 2.56 2.75 0.00 -1.26 -3.19 105.19 104.36 1qpm n GLY 27 Ca 0.09 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1qpm n GLY 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qpm n MET 28 N -1.73 1.24 -2.17 1.61 2.81 -0.58 -5.11 117.12 113.20 1qpm n MET 28 Ca -0.00 -3.91 -0.26 0.00 -1.81 0.00 0.00 57.70 51.71 1qpm n MET 28 Cb 0.06 -1.94 0.07 0.00 -0.71 0.00 0.00 33.22 30.71 1qpm n MET 28 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1qpm s PRO 29 N -1.08 2.13 0.00 0.03 0.04 -1.19 -4.61 135.00 130.32 1qpm s PRO 29 Ca 0.31 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1qpm s PRO 29 Cb 0.04 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1qpm s PRO 29 CO -0.15 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1qpm n GLY 30 N -2.98 1.33 0.00 0.56 0.00 -1.26 -4.18 105.19 98.66 1qpm n GLY 30 Ca 0.08 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1qpm n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpm n SER 31 N -0.29 -0.77 -0.25 1.61 3.41 -1.26 -4.52 113.62 111.55 1qpm n SER 31 Ca 0.00 -0.37 0.01 0.00 -0.26 0.00 0.00 58.87 58.25 1qpm n SER 31 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1qpm n SER 31 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qpm h VAL 32 N -1.26 0.88 -0.91 -3.33 2.07 -1.95 -0.35 116.25 111.40 1qpm h VAL 32 Ca 0.00 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1qpm h VAL 32 Cb 0.00 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1qpm h VAL 32 CO 0.00 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.31 1qpm h ALA 33 N 1.42 1.38 -0.80 1.67 0.00 -1.98 -1.61 119.26 119.34 1qpm h ALA 33 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1qpm h ALA 33 Cb 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1qpm h ALA 33 CO -0.25 0.55 0.53 0.78 0.00 0.00 0.00 179.25 180.86 1qpm h GLY 34 N 1.19 1.13 1.02 0.00 0.00 -1.34 0.06 103.07 105.13 1qpm h GLY 34 Ca 0.35 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1qpm h GLY 34 CO -0.09 0.40 0.27 -2.08 0.00 0.00 0.00 176.54 175.05 1qpm h VAL 35 N 1.07 1.24 -0.13 4.60 2.07 -0.85 -1.55 116.25 122.71 1qpm h VAL 35 Ca 0.30 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1qpm h VAL 35 Cb -0.11 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1qpm h VAL 35 CO -0.07 0.30 -0.01 0.45 0.02 0.00 0.00 177.57 178.27 1qpm h HIS 36 N 0.96 0.17 -0.92 1.57 3.86 -0.40 -1.51 115.15 118.88 1qpm h HIS 36 Ca 0.23 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 1qpm h HIS 36 Cb 0.21 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 1qpm h HIS 36 CO 0.01 0.19 0.59 -0.92 0.86 0.00 0.00 177.93 178.67 1qpm h TYR 37 N 0.18 1.11 -0.52 2.45 5.03 0.04 0.33 116.97 125.59 1qpm h TYR 37 Ca 0.04 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1qpm h TYR 37 Cb 0.14 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 1qpm h TYR 37 CO 0.00 0.62 0.27 0.00 -1.32 0.00 0.00 178.16 177.73 1qpm h ARG 38 N 1.13 0.73 -0.02 1.82 2.47 -1.23 -1.52 114.38 117.76 1qpm h ARG 38 Ca 0.38 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1qpm h ARG 38 Cb 0.05 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1qpm h ARG 38 CO -0.14 0.58 0.00 0.00 0.56 0.00 0.00 179.97 180.97 1qpm n ALA 39 N -2.30 2.61 -0.06 0.04 0.00 -0.47 -3.67 120.51 116.67 1qpm n ALA 39 Ca 0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1qpm n ALA 39 Cb 0.09 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 1qpm n ALA 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qpm h ASN 40 N 0.41 -0.00 -0.03 0.00 -1.24 0.70 -3.37 115.58 112.05 1qpm h ASN 40 Ca 0.00 -0.89 -0.02 0.00 0.71 0.00 0.00 56.30 56.10 1qpm h ASN 40 Cb 0.09 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1qpm h ASN 40 CO 0.00 0.90 -0.05 0.58 -1.29 0.00 0.00 177.43 177.57 1qpm h VAL 41 N -0.91 1.40 -3.90 2.57 2.07 -1.64 -3.44 116.25 112.40 1qpm h VAL 41 Ca -0.00 -1.27 -0.47 0.00 0.82 0.00 0.00 66.70 65.78 1qpm h VAL 41 Cb 0.89 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1qpm h VAL 41 CO 0.00 0.34 0.22 -1.10 0.02 0.00 0.00 177.57 177.05 1qpm s GLN 42 N -4.13 4.02 -1.26 1.57 1.11 -1.24 -4.97 119.66 114.75 1qpm s GLN 42 Ca -0.16 0.81 -0.07 0.00 0.01 0.00 0.00 55.36 55.96 1qpm s GLN 42 Cb 0.02 -2.30 0.17 0.00 -1.01 0.00 0.00 33.01 29.89 1qpm s GLN 42 CO 0.70 -0.00 2.04 0.41 0.01 0.00 0.00 175.29 178.44 1qpm n GLY 43 N -0.81 5.09 3.67 3.09 0.00 -1.26 -4.72 105.19 110.25 1qpm n GLY 43 Ca 0.05 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1qpm n GLY 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qpm n TRP 44 N 2.48 0.87 -2.52 1.61 7.02 -1.26 -4.89 117.44 120.75 1qpm n TRP 44 Ca 0.48 0.40 -0.43 0.00 -1.02 0.00 0.00 57.50 56.93 1qpm n TRP 44 Cb 0.31 -2.01 -0.02 0.00 -2.42 0.00 0.00 31.31 27.17 1qpm n TRP 44 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1qpm s THR 45 N -2.60 4.38 0.08 -0.99 2.01 -1.26 -5.00 115.64 112.26 1qpm s THR 45 Ca 0.67 1.62 0.06 0.00 0.31 0.00 0.00 61.69 64.36 1qpm s THR 45 Cb -0.23 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1qpm s THR 45 CO 0.58 -0.30 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.51 1qpm s LYS 46 N 3.63 0.89 -0.04 4.92 1.02 -1.26 -3.06 119.74 125.83 1qpm s LYS 46 Ca 0.51 -1.01 -0.02 0.00 0.02 0.00 0.00 55.97 55.47 1qpm s LYS 46 Cb -0.17 -0.93 0.03 0.00 -0.52 0.00 0.00 37.83 36.24 1qpm s LYS 46 CO 0.15 0.21 0.07 -0.98 -0.92 0.00 0.00 175.35 173.87 1qpm s ARG 47 N -1.84 -0.05 -0.29 1.68 1.70 -1.19 -5.03 118.95 113.92 1qpm s ARG 47 Ca 0.00 0.35 -0.22 0.00 -0.47 0.00 0.00 55.73 55.40 1qpm s ARG 47 Cb -0.10 -0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 33.86 1qpm s ARG 47 CO 0.03 -0.29 0.73 0.15 -1.08 0.00 0.00 175.30 174.84 1qpm s LYS 48 N 1.90 4.00 -0.32 3.89 -0.14 -1.26 -2.80 119.74 125.01 1qpm s LYS 48 Ca 0.01 0.55 -0.21 0.00 -1.36 0.00 0.00 55.97 54.96 1qpm s LYS 48 Cb -0.12 -3.70 -0.00 0.00 -1.68 0.00 0.00 37.83 32.32 1qpm s LYS 48 CO -0.03 -0.59 0.67 0.21 -0.76 0.00 0.00 175.35 174.85 1qpm s LYS 49 N 2.78 3.86 -1.54 1.68 2.20 -0.65 -4.10 119.74 123.96 1qpm s LYS 49 Ca 0.30 0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 56.07 1qpm s LYS 49 Cb -0.15 -3.75 0.09 0.00 -1.51 0.00 0.00 37.83 32.52 1qpm s LYS 49 CO 0.11 -0.65 0.92 0.39 -0.36 0.00 0.00 175.35 175.77 1qpm n GLU 50 N 6.02 -5.11 -1.25 4.03 1.02 -1.26 -3.47 120.64 120.62 1qpm n GLU 50 Ca 0.00 0.57 0.17 0.00 -0.02 0.00 0.00 57.16 57.88 1qpm n GLU 50 Cb 0.49 -5.44 -0.05 0.00 -0.02 0.00 0.00 31.44 26.42 1qpm n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qpm n GLY 51 N -1.62 -1.99 3.50 0.62 0.00 -1.26 -4.84 105.19 99.61 1qpm n GLY 51 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1qpm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpm s VAL 52 N -2.31 -0.60 0.00 1.61 0.11 -1.26 -4.05 120.40 113.89 1qpm s VAL 52 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1qpm s VAL 52 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1qpm s VAL 52 CO 0.00 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 1qpm n LYS 53 N 5.01 0.00 0.00 1.54 5.02 -1.26 -4.94 118.16 123.53 1qpm n LYS 53 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1qpm n LYS 53 Cb 0.52 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1qpm n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qpm n GLY 54 N 0.52 0.90 0.00 0.72 0.00 -1.26 -5.13 105.19 100.94 1qpm n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qpm n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpm n GLY 55 N 0.00 3.71 7.00 -0.02 0.00 -1.26 -5.11 105.19 109.51 1qpm n GLY 55 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1qpm n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qpm n LYS 56 N 0.00 0.00 -3.73 1.61 4.76 -1.26 -4.71 118.16 114.83 1qpm n LYS 56 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1qpm n LYS 56 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1qpm n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qpm s ALA 57 N -1.49 -1.99 0.04 7.82 0.00 -1.23 -5.05 121.76 119.87 1qpm s ALA 57 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1qpm s ALA 57 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1qpm s ALA 57 CO 0.00 -1.06 -0.00 0.54 0.00 0.00 0.00 175.76 175.24 1qpm s VAL 58 N -2.64 0.17 0.12 0.00 0.11 -1.26 -1.64 120.40 115.26 1qpm s VAL 58 Ca 0.16 -1.41 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 1qpm s VAL 58 Cb 0.01 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1qpm s VAL 58 CO -0.00 -0.78 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.26 1qpm s GLU 59 N -3.00 0.97 0.01 1.54 0.41 -1.12 -4.02 118.70 113.49 1qpm s GLU 59 Ca -0.02 -1.26 0.05 0.00 -0.41 0.00 0.00 54.97 53.34 1qpm s GLU 59 Cb 0.01 -0.73 -0.02 0.00 -1.78 0.00 0.00 34.13 31.62 1qpm s GLU 59 CO -0.07 0.12 -0.17 0.71 -0.49 0.00 0.00 175.26 175.37 1qpm s TYR 60 N -2.47 1.47 -0.33 1.61 2.02 -0.48 -3.16 117.35 116.00 1qpm s TYR 60 Ca 0.09 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.35 1qpm s TYR 60 Cb -0.03 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 1qpm s TYR 60 CO 0.02 0.01 0.24 0.34 -1.57 0.00 0.00 175.55 174.59 1qpm s ASP 61 N -0.73 6.06 0.19 2.29 -1.08 -1.17 -2.34 116.67 119.89 1qpm s ASP 61 Ca 0.05 -0.38 0.18 0.00 -0.52 0.00 0.00 52.55 51.89 1qpm s ASP 61 Cb -0.07 -2.14 0.83 0.00 -1.46 0.00 0.00 42.92 40.08 1qpm s ASP 61 CO 0.00 -0.22 1.56 1.33 0.52 0.00 0.00 175.17 178.36 1qpm n VAL 62 N 5.11 1.06 0.81 1.11 0.24 -1.26 -2.17 118.33 123.23 1qpm n VAL 62 Ca -0.13 0.39 0.10 0.00 -2.04 0.00 0.00 64.34 62.66 1qpm n VAL 62 Cb 0.50 -1.30 0.47 0.00 -1.47 0.00 0.00 33.84 32.03 1qpm n VAL 62 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1qpm n MET 63 N -2.00 0.12 -0.01 7.34 2.81 -1.26 -2.76 117.12 121.37 1qpm n MET 63 Ca 0.01 0.13 0.07 0.00 -1.81 0.00 0.00 57.70 56.11 1qpm n MET 63 Cb 0.14 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.04 1qpm n MET 63 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qpm n SER 64 N -1.41 1.45 -4.80 7.83 3.41 -0.92 -4.97 113.62 114.21 1qpm n SER 64 Ca 0.07 -0.13 -0.35 0.00 -0.26 0.00 0.00 58.87 58.20 1qpm n SER 64 Cb 0.21 1.58 -0.07 0.00 -0.26 0.00 0.00 64.21 65.67 1qpm n SER 64 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qpm s MET 65 N -2.94 4.41 1.06 4.33 -1.94 -1.11 -4.91 119.30 118.20 1qpm s MET 65 Ca -0.04 1.21 -0.23 0.00 -1.71 0.00 0.00 55.69 54.93 1qpm s MET 65 Cb 0.10 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1qpm s MET 65 CO 0.62 0.15 -0.73 -2.30 -0.01 0.00 0.00 175.02 172.75 1qpm n PRO 66 N 0.03 -0.88 0.05 2.03 -0.02 -1.26 -4.70 135.00 130.26 1qpm n PRO 66 Ca 0.04 -0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.20 1qpm n PRO 66 Cb 0.52 -1.36 0.10 0.00 -0.02 0.00 0.00 33.50 32.74 1qpm n PRO 66 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1qpm h THR 67 N -1.59 1.36 -0.06 3.45 1.35 -1.95 -3.03 112.91 112.43 1qpm h THR 67 Ca -0.46 -1.90 0.01 0.00 -0.55 0.00 0.00 66.41 63.51 1qpm h THR 67 Cb 1.35 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1qpm h THR 67 CO 0.29 0.57 0.01 0.11 -0.25 0.00 0.00 175.52 176.26 1qpm h LYS 68 N 0.27 0.04 -0.63 4.72 6.56 -2.00 -1.08 116.57 124.44 1qpm h LYS 68 Ca -0.00 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1qpm h LYS 68 Cb 1.10 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.73 1qpm h LYS 68 CO 0.10 0.02 0.05 0.93 -2.06 0.00 0.00 179.45 178.49 1qpm h GLU 69 N 0.04 1.09 -0.37 3.15 3.07 -1.90 -2.79 114.58 116.85 1qpm h GLU 69 Ca 0.03 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.57 1qpm h GLU 69 Cb 0.02 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1qpm h GLU 69 CO -0.03 1.03 0.24 -0.09 -1.40 0.00 0.00 179.01 178.76 1qpm h ARG 70 N 1.00 0.48 -0.64 2.33 2.43 -1.37 -2.03 114.38 116.58 1qpm h ARG 70 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1qpm h ARG 70 Cb 0.51 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1qpm h ARG 70 CO 0.02 0.32 0.42 0.93 -1.51 0.00 0.00 179.97 180.15 1qpm h GLU 71 N 0.50 0.84 -0.71 0.20 5.08 -1.09 -2.46 114.58 116.94 1qpm h GLU 71 Ca 0.14 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1qpm h GLU 71 Cb -0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1qpm h GLU 71 CO -0.04 0.56 0.17 1.96 -1.00 0.00 0.00 179.01 180.66 1qpm h GLN 72 N 0.86 1.14 0.10 2.33 1.08 -1.11 -0.84 115.11 118.68 1qpm h GLN 72 Ca 0.23 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1qpm h GLN 72 Cb -0.09 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1qpm h GLN 72 CO -0.05 1.01 -0.05 0.28 -0.95 0.00 0.00 178.83 179.07 1qpm h VAL 73 N 1.08 1.11 -0.86 -0.54 2.07 -1.02 -2.08 116.25 116.01 1qpm h VAL 73 Ca 0.22 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1qpm h VAL 73 Cb 0.38 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1qpm h VAL 73 CO 0.00 0.22 0.57 0.40 0.02 0.00 0.00 177.57 178.78 1qpm h ILE 74 N -0.58 1.22 -0.84 4.57 5.03 -1.51 -1.90 117.51 123.51 1qpm h ILE 74 Ca -0.01 -0.40 0.01 0.00 -0.12 0.00 0.00 64.86 64.34 1qpm h ILE 74 Cb 0.46 -0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.17 1qpm h ILE 74 CO 0.02 0.21 0.56 0.00 -0.68 0.00 0.00 178.15 178.26 1qpm h ALA 75 N 1.47 1.07 -0.68 1.87 0.00 -1.06 -1.25 119.26 120.67 1qpm h ALA 75 Ca 0.31 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1qpm h ALA 75 Cb -0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 1qpm h ALA 75 CO -0.07 0.48 0.11 1.25 0.00 0.00 0.00 179.25 181.02 1qpm h HIS 76 N 1.14 1.20 -0.83 0.00 -0.00 -0.63 -2.09 115.15 113.94 1qpm h HIS 76 Ca 0.31 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1qpm h HIS 76 Cb -0.13 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 26.91 1qpm h HIS 76 CO -0.01 1.00 0.38 -0.07 -0.00 0.00 0.00 177.93 179.23 1qpm h LEU 77 N 1.05 1.11 -0.98 0.26 3.38 -0.88 0.86 115.31 120.10 1qpm h LEU 77 Ca 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qpm h LEU 77 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1qpm h LEU 77 CO 0.01 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1qpm n GLY 78 N -0.98 -1.14 3.48 0.83 0.00 -0.53 -4.01 105.19 102.84 1qpm n GLY 78 Ca 0.08 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1qpm n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qpm s LEU 79 N -4.52 4.89 0.00 0.99 2.96 0.30 -4.88 118.68 118.42 1qpm s LEU 79 Ca 0.02 -2.73 0.00 0.00 -0.22 0.00 0.00 54.13 51.20 1qpm s LEU 79 Cb 0.08 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1qpm s LEU 79 CO 0.32 -0.86 0.00 -0.24 -1.32 0.00 0.00 176.35 174.25 1qpm n SER 80 N 6.16 0.00 0.00 3.68 2.88 -1.26 -4.98 113.62 120.11 1qpm n SER 80 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1qpm n SER 80 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1qpm n SER 80 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22