#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 5.36 -0.05 4.39 0.01 -1.26 -5.08 113.70 117.07 1qpm s SER 14 Ca 0.00 1.12 0.02 0.00 1.31 0.00 0.00 55.95 58.40 1qpm s SER 14 Cb 0.00 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.35 1qpm s SER 14 CO 0.00 -1.40 -0.09 -0.51 0.41 0.00 0.00 173.24 171.65 1qpm s ILE 15 N -3.36 0.88 -0.09 1.44 2.07 -1.26 -5.12 121.20 115.75 1qpm s ILE 15 Ca 0.58 -0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.45 1qpm s ILE 15 Cb -0.11 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.69 1qpm s ILE 15 CO 0.52 0.30 0.20 0.26 -1.91 0.00 0.00 174.94 174.30 1qpm s TRP 16 N 0.72 -0.25 0.01 3.50 0.52 -1.26 -3.78 118.94 118.40 1qpm s TRP 16 Ca -0.13 0.64 0.03 0.00 0.02 0.00 0.00 56.10 56.66 1qpm s TRP 16 Cb -0.15 -0.03 -0.01 0.00 -1.15 0.00 0.00 33.47 32.13 1qpm s TRP 16 CO 0.02 -0.20 -0.09 0.00 0.02 0.00 0.00 176.95 176.69 1qpm s SER 18 N -0.66 6.49 0.49 0.00 0.01 -1.26 -2.60 113.70 116.16 1qpm s SER 18 Ca 0.00 1.72 0.37 0.00 1.31 0.00 0.00 55.95 59.35 1qpm s SER 18 Cb -0.05 -2.53 1.54 0.00 0.21 0.00 0.00 66.02 65.18 1qpm s SER 18 CO 0.00 -0.68 1.62 -0.65 0.41 0.00 0.00 173.24 173.95 1qpm h PRO 19 N 1.21 0.05 -0.42 12.44 0.11 -1.98 0.31 132.00 143.71 1qpm h PRO 19 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1qpm h PRO 19 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1qpm h PRO 19 CO 0.60 0.03 0.28 0.37 -0.21 0.00 0.00 178.00 179.07 1qpm h GLN 20 N 0.05 0.55 -0.58 1.05 4.15 -1.96 0.94 115.11 119.31 1qpm h GLN 20 Ca 0.84 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 60.18 1qpm h GLN 20 Cb 2.93 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 30.47 1qpm h GLN 20 CO -0.26 0.36 0.19 0.93 -1.93 0.00 0.00 178.83 178.13 1qpm h GLU 21 N 0.56 0.89 -0.07 1.69 5.08 -0.75 -2.58 114.58 119.40 1qpm h GLU 21 Ca 0.16 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1qpm h GLU 21 Cb -0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1qpm h GLU 21 CO -0.04 0.79 -0.03 0.82 -1.00 0.00 0.00 179.01 179.55 1qpm h ILE 22 N 0.81 1.32 -0.01 3.13 2.04 -1.12 -2.45 117.51 121.23 1qpm h ILE 22 Ca 0.19 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1qpm h ILE 22 Cb 0.27 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1qpm h ILE 22 CO -0.01 0.29 0.45 0.24 0.00 0.00 0.00 178.15 179.12 1qpm h MET 23 N -0.23 0.00 0.00 2.37 2.86 0.10 1.53 114.93 121.56 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 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1qpm h MET 23 CO 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.97 1qpm n ALA 24 N -1.84 2.36 -2.65 6.32 0.00 -0.92 -4.71 120.51 119.07 1qpm n ALA 24 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1qpm n ALA 24 Cb 0.49 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.00 3.60 0.25 0.00 0.00 0.52 -4.93 121.76 118.19 1qpm s ALA 25 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 1qpm s ALA 25 Cb 0.19 -3.24 0.27 0.00 0.00 0.00 0.00 23.12 20.33 1qpm s ALA 25 CO 0.54 -0.80 1.92 -0.44 0.00 0.00 0.00 175.76 176.98 1qpm h ASP 26 N 7.55 1.14 0.00 0.00 3.32 -1.84 -0.43 116.42 126.16 1qpm h ASP 26 Ca -0.26 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1qpm h ASP 26 Cb 1.11 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1qpm h ASP 26 CO 0.85 0.84 0.09 1.23 -1.72 0.00 0.00 179.24 180.53 1qpm h GLY 27 N 1.34 0.00 -6.64 2.75 0.00 -1.94 -3.08 103.07 95.50 1qpm h GLY 27 Ca 0.36 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.09 1qpm h GLY 27 CO -0.08 0.00 -0.71 1.03 0.00 0.00 0.00 176.54 176.79 1qpm n MET 28 N -2.46 1.57 -2.16 4.80 2.81 -0.17 -5.10 117.12 116.41 1qpm n MET 28 Ca -0.02 -4.16 -0.27 0.00 -1.81 0.00 0.00 57.70 51.44 1qpm n MET 28 Cb 0.13 -2.06 0.13 0.00 -0.71 0.00 0.00 33.22 30.72 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 -1.38 1.34 0.00 0.03 0.04 -1.17 -4.55 135.00 129.30 1qpm s PRO 29 Ca 0.31 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1qpm s PRO 29 Cb 0.04 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1qpm s PRO 29 CO -0.13 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1qpm n GLY 30 N -3.31 0.30 0.29 0.56 0.00 -1.26 -4.15 105.19 97.62 1qpm n GLY 30 Ca 0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.82 -0.92 -0.33 1.61 3.41 -1.26 -4.57 113.62 110.74 1qpm n SER 31 Ca 0.00 -0.63 0.04 0.00 -0.26 0.00 0.00 58.87 58.03 1qpm n SER 31 Cb 0.00 -0.08 0.19 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.52 0.94 -0.98 -3.33 2.07 -1.94 -0.14 116.25 111.36 1qpm h VAL 32 Ca -0.03 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1qpm h VAL 32 Cb 0.10 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.75 1qpm h VAL 32 CO 0.02 0.17 0.65 0.00 0.02 0.00 0.00 177.57 178.44 1qpm h ALA 33 N 1.49 1.30 -0.89 1.67 0.00 -1.97 -1.09 119.26 119.75 1qpm h ALA 33 Ca 0.44 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1qpm h ALA 33 Cb 0.37 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1qpm h ALA 33 CO -0.24 0.65 0.59 0.78 0.00 0.00 0.00 179.25 181.03 1qpm h GLY 34 N 1.33 1.26 0.99 0.00 0.00 -1.31 0.64 103.07 105.98 1qpm h GLY 34 Ca 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1qpm h GLY 34 CO -0.08 0.46 0.28 -2.08 0.00 0.00 0.00 176.54 175.12 1qpm h VAL 35 N 1.21 1.21 -0.30 4.60 2.07 -0.78 -1.70 116.25 122.55 1qpm h VAL 35 Ca 0.33 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1qpm h VAL 35 Cb -0.14 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1qpm h VAL 35 CO -0.07 0.23 0.16 0.45 0.02 0.00 0.00 177.57 178.36 1qpm h HIS 36 N 0.78 0.40 -0.10 1.57 3.86 -0.03 -2.04 115.15 119.59 1qpm h HIS 36 Ca 0.20 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1qpm h HIS 36 Cb 0.12 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1qpm h HIS 36 CO -0.00 0.29 -0.02 -0.92 0.86 0.00 0.00 177.93 178.14 1qpm h TYR 37 N 0.42 -0.04 -0.62 2.45 5.03 0.04 1.17 116.97 125.42 1qpm h TYR 37 Ca 0.11 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.35 1qpm h TYR 37 Cb 0.03 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 1qpm h TYR 37 CO 0.00 -0.04 0.07 0.00 -1.32 0.00 0.00 178.16 176.88 1qpm h ARG 38 N 0.01 1.04 0.00 1.82 3.08 -1.42 -0.92 114.38 117.98 1qpm h ARG 38 Ca 0.05 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1qpm h ARG 38 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1qpm h ARG 38 CO -0.10 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 1qpm n ALA 39 N -2.46 2.33 -0.01 0.04 0.00 -0.72 -2.94 120.51 116.75 1qpm n ALA 39 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1qpm n ALA 39 Cb 0.30 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 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 0.00 -0.06 -0.33 0.00 -0.73 0.28 -3.32 115.58 111.42 1qpm h ASN 40 Ca 0.00 -0.58 -0.15 0.00 1.87 0.00 0.00 56.30 57.44 1qpm h ASN 40 Cb 0.03 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.64 1qpm h ASN 40 CO 0.00 0.63 -0.37 0.58 -0.37 0.00 0.00 177.43 177.90 1qpm h VAL 41 N -0.84 1.29 -3.80 2.57 2.07 -1.61 -3.44 116.25 112.49 1qpm h VAL 41 Ca -0.01 -1.54 -0.49 0.00 0.82 0.00 0.00 66.70 65.48 1qpm h VAL 41 Cb 0.64 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1qpm h VAL 41 CO 0.01 0.50 0.16 -1.10 0.02 0.00 0.00 177.57 177.17 1qpm s GLN 42 N -4.34 3.90 -0.70 1.57 -1.52 -1.15 -5.02 119.66 112.40 1qpm s GLN 42 Ca -0.12 0.64 0.05 0.00 -1.95 0.00 0.00 55.36 53.98 1qpm s GLN 42 Cb 0.10 -2.35 0.25 0.00 -0.22 0.00 0.00 33.01 30.79 1qpm s GLN 42 CO 0.86 -0.01 0.84 0.41 -0.25 0.00 0.00 175.29 177.14 1qpm n GLY 43 N -1.00 4.84 3.61 3.09 0.00 -1.26 -4.70 105.19 109.77 1qpm n GLY 43 Ca 0.04 -2.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.01 1qpm n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qpm s TRP 44 N -2.48 1.70 0.10 1.61 0.51 -1.26 -4.93 118.94 114.19 1qpm s TRP 44 Ca 0.38 0.96 -0.30 0.00 -2.12 0.00 0.00 56.10 55.02 1qpm s TRP 44 Cb 0.13 -3.23 -0.07 0.00 -0.81 0.00 0.00 33.47 29.49 1qpm s TRP 44 CO -0.00 -3.33 1.20 0.99 -0.51 0.00 0.00 176.95 175.30 1qpm s THR 45 N -2.83 3.86 0.10 2.01 2.01 -1.26 -4.99 115.64 114.54 1qpm s THR 45 Ca 0.67 1.41 0.02 0.00 0.31 0.00 0.00 61.69 64.09 1qpm s THR 45 Cb -0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1qpm s THR 45 CO 0.59 0.15 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.07 1qpm s LYS 46 N 0.63 0.83 -0.28 4.92 1.02 -1.26 -2.60 119.74 123.01 1qpm s LYS 46 Ca 0.57 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 1qpm s LYS 46 Cb -0.31 -0.20 0.12 0.00 -0.52 0.00 0.00 37.83 36.92 1qpm s LYS 46 CO 0.31 -0.02 0.22 -0.98 -0.92 0.00 0.00 175.35 173.97 1qpm s ARG 47 N -3.84 0.26 0.13 1.68 1.70 -1.16 -5.05 118.95 112.66 1qpm s ARG 47 Ca 0.12 -0.24 -0.19 0.00 -0.47 0.00 0.00 55.73 54.95 1qpm s ARG 47 Cb 0.05 -0.92 -0.07 0.00 -0.57 0.00 0.00 34.95 33.44 1qpm s ARG 47 CO -0.05 -0.98 0.62 0.21 -1.08 0.00 0.00 175.30 174.03 1qpm s LYS 48 N 2.26 4.22 -0.38 3.89 2.47 -1.26 -3.24 119.74 127.69 1qpm s LYS 48 Ca 0.09 0.77 0.04 0.00 -1.56 0.00 0.00 55.97 55.31 1qpm s LYS 48 Cb -0.15 -3.12 0.16 0.00 -1.46 0.00 0.00 37.83 33.26 1qpm s LYS 48 CO -0.32 0.56 0.41 0.15 0.16 0.00 0.00 175.35 176.31 1qpm s LYS 49 N -1.43 0.70 0.76 4.03 1.02 -0.66 -5.00 119.74 119.16 1qpm s LYS 49 Ca 0.34 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1qpm s LYS 49 Cb -0.19 -0.69 0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1qpm s LYS 49 CO 0.20 -1.22 0.00 0.39 -0.92 0.00 0.00 175.35 173.81 1qpm n GLU 50 N 4.08 0.00 -2.42 1.68 4.71 -1.26 -2.19 120.64 125.24 1qpm n GLU 50 Ca 0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 57.00 1qpm n GLU 50 Cb 0.46 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.90 1qpm n GLU 50 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1qpm s GLY 51 N -1.15 1.55 0.26 0.62 0.00 -1.26 -4.63 107.32 102.72 1qpm s GLY 51 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.99 1qpm s GLY 51 CO 0.00 -0.25 0.91 0.14 0.00 0.00 0.00 173.10 173.90 1qpm s VAL 52 N -2.90 4.20 0.00 1.40 1.01 -1.26 -4.12 120.40 118.73 1qpm s VAL 52 Ca 0.50 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1qpm s VAL 52 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1qpm s VAL 52 CO 0.47 0.35 0.00 1.17 0.00 0.00 0.00 175.10 177.08 1qpm n LYS 53 N 1.09 0.00 -1.99 2.72 4.81 -1.26 -4.95 118.16 118.58 1qpm n LYS 53 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 1qpm n LYS 53 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 1qpm n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qpm n GLY 54 N 1.98 0.32 0.00 3.14 0.00 -1.26 -4.71 105.19 104.65 1qpm n GLY 54 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.10 0.25 4.83 -0.02 0.00 -1.26 -5.08 105.19 102.81 1qpm n GLY 55 Ca -0.16 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 0.06 -1.00 -3.74 1.61 4.76 -1.26 -4.73 118.16 113.86 1qpm n LYS 56 Ca 0.00 0.66 0.04 0.00 -2.87 0.00 0.00 58.31 56.13 1qpm n LYS 56 Cb 0.00 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.96 -2.53 -0.04 7.82 0.00 -0.93 -4.40 121.76 119.71 1qpm s ALA 57 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1qpm s ALA 57 Cb 0.00 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1qpm s ALA 57 CO 0.00 -1.10 0.06 0.08 0.00 0.00 0.00 175.76 174.80 1qpm s VAL 58 N -2.09 -0.11 0.07 0.00 1.01 -1.26 -1.65 120.40 116.38 1qpm s VAL 58 Ca 0.21 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1qpm s VAL 58 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 1qpm s VAL 58 CO -0.05 0.15 -0.03 -1.61 0.00 0.00 0.00 175.10 173.57 1qpm s GLU 59 N 1.89 0.70 0.02 2.72 2.02 -1.20 -4.47 118.70 120.38 1qpm s GLU 59 Ca 0.01 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 53.78 1qpm s GLU 59 Cb -0.12 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 1qpm s GLU 59 CO -0.03 -0.11 -0.16 0.71 0.02 0.00 0.00 175.26 175.69 1qpm s TYR 60 N -3.88 1.39 -0.25 1.61 1.51 -1.07 -3.00 117.35 113.66 1qpm s TYR 60 Ca 0.10 -0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 1qpm s TYR 60 Cb 0.07 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 1qpm s TYR 60 CO -0.07 0.02 0.17 0.34 -1.11 0.00 0.00 175.55 174.90 1qpm s ASP 61 N -0.81 6.11 0.35 2.29 -1.08 -1.07 -2.06 116.67 120.40 1qpm s ASP 61 Ca 0.04 0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.30 1qpm s ASP 61 Cb -0.07 -2.11 0.66 0.00 -1.46 0.00 0.00 42.92 39.93 1qpm s ASP 61 CO 0.01 0.04 1.79 0.58 0.52 0.00 0.00 175.17 178.11 1qpm h VAL 62 N 5.08 1.30 0.00 1.11 2.07 -1.92 -3.05 116.25 120.83 1qpm h VAL 62 Ca -0.37 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1qpm h VAL 62 Cb 1.17 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1qpm h VAL 62 CO 0.64 0.41 0.00 0.23 0.02 0.00 0.00 177.57 178.87 1qpm n MET 63 N -4.05 0.53 -0.01 1.57 2.81 -1.26 -2.59 117.12 114.13 1qpm n MET 63 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1qpm n MET 63 Cb 0.44 -1.11 -0.02 0.00 -0.71 0.00 0.00 33.22 31.82 1qpm n MET 63 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1qpm n SER 64 N -0.19 4.32 -4.83 7.83 7.64 -1.15 -5.02 113.62 122.21 1qpm n SER 64 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1qpm n SER 64 Cb 0.06 0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 64.07 1qpm n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpm s MET 65 N -2.14 4.10 1.00 1.43 0.23 -1.07 -4.77 119.30 118.08 1qpm s MET 65 Ca -0.01 1.01 -0.25 0.00 -1.03 0.00 0.00 55.69 55.41 1qpm s MET 65 Cb 0.01 -2.18 -0.17 0.00 -1.53 0.00 0.00 34.83 30.96 1qpm s MET 65 CO 0.12 -0.11 -1.30 -2.30 -2.03 0.00 0.00 175.02 169.40 1qpm n PRO 66 N -0.99 -0.07 0.17 3.16 -0.01 -1.26 -4.65 135.00 131.35 1qpm n PRO 66 Ca 0.06 -0.02 0.02 0.00 -0.01 0.00 0.00 63.50 63.55 1qpm n PRO 66 Cb 0.54 -1.04 0.29 0.00 -0.01 0.00 0.00 33.50 33.28 1qpm n PRO 66 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 175.50 177.28 1qpm h THR 67 N -1.05 1.28 -0.15 3.45 1.35 -1.95 -3.00 112.91 112.83 1qpm h THR 67 Ca -0.41 -1.64 0.03 0.00 -0.55 0.00 0.00 66.41 63.84 1qpm h THR 67 Cb 1.37 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 1qpm h THR 67 CO 0.22 0.46 -0.04 0.11 -0.25 0.00 0.00 175.52 176.02 1qpm h LYS 68 N 0.00 -0.01 -0.08 4.72 1.57 -2.01 -1.23 116.57 119.53 1qpm h LYS 68 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1qpm h LYS 68 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1qpm h LYS 68 CO 0.06 -0.00 -0.43 0.93 -0.57 0.00 0.00 179.45 179.44 1qpm h GLU 69 N -0.01 0.18 -0.86 3.15 3.07 -1.88 -2.87 114.58 115.36 1qpm h GLU 69 Ca 0.08 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1qpm h GLU 69 Cb 0.12 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1qpm h GLU 69 CO -0.16 0.58 0.57 -0.09 -1.40 0.00 0.00 179.01 178.51 1qpm h ARG 70 N 0.15 1.13 -0.88 2.33 2.43 -1.17 -1.81 114.38 116.55 1qpm h ARG 70 Ca 0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1qpm h ARG 70 Cb 0.82 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1qpm h ARG 70 CO 0.06 0.75 0.45 0.93 -1.51 0.00 0.00 179.97 180.65 1qpm h GLU 71 N 1.16 1.25 -0.99 0.20 4.39 -1.04 -2.24 114.58 117.31 1qpm h GLU 71 Ca 0.32 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1qpm h GLU 71 Cb -0.12 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.24 1qpm h GLU 71 CO -0.07 0.93 0.66 0.37 -1.16 0.00 0.00 179.01 179.74 1qpm h GLN 72 N 1.24 1.30 -0.19 2.33 5.75 -1.27 -0.14 115.11 124.13 1qpm h GLN 72 Ca 0.31 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.69 1qpm h GLN 72 Cb 0.07 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 1qpm h GLN 72 CO -0.04 0.86 -0.03 0.28 -2.65 0.00 0.00 178.83 177.25 1qpm h VAL 73 N 1.34 1.27 -0.74 2.39 2.07 -0.95 -2.87 116.25 118.76 1qpm h VAL 73 Ca 0.37 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1qpm h VAL 73 Cb -0.14 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1qpm h VAL 73 CO -0.08 0.29 0.22 0.40 0.02 0.00 0.00 177.57 178.42 1qpm h ILE 74 N 0.09 1.26 -0.77 4.57 1.08 -1.07 -2.80 117.51 119.87 1qpm h ILE 74 Ca 0.05 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1qpm h ILE 74 Cb 0.45 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1qpm h ILE 74 CO 0.02 0.36 0.51 0.00 -0.69 0.00 0.00 178.15 178.35 1qpm h ALA 75 N 1.11 0.98 -0.45 1.87 0.00 -0.98 0.71 119.26 122.51 1qpm h ALA 75 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1qpm h ALA 75 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1qpm h ALA 75 CO -0.01 0.39 0.20 1.25 0.00 0.00 0.00 179.25 181.09 1qpm h HIS 76 N 1.05 0.66 -0.59 0.00 -0.00 -1.33 -1.48 115.15 113.45 1qpm h HIS 76 Ca 0.28 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 1qpm h HIS 76 Cb -0.12 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.07 1qpm h HIS 76 CO -0.02 0.55 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.35 1qpm h LEU 77 N 0.58 1.05 0.00 0.26 3.38 -1.16 -0.74 115.31 118.69 1qpm h LEU 77 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1qpm h LEU 77 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1qpm h LEU 77 CO -0.02 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1qpm n GLY 78 N -0.37 -0.65 0.00 0.83 0.00 0.24 -0.59 105.19 104.67 1qpm n GLY 78 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qpm n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qpm n LEU 79 N -1.45 0.02 -0.04 0.99 -0.00 -0.29 -4.68 117.00 111.55 1qpm n LEU 79 Ca 0.02 0.41 -0.10 0.00 -0.00 0.00 0.00 56.01 56.34 1qpm n LEU 79 Cb 0.06 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 42.90 1qpm n LEU 79 CO 0.05 -0.50 0.29 0.77 -0.00 0.00 0.00 177.39 178.00 1qpm h SER 80 N 0.00 -0.03 0.00 1.96 4.64 -1.46 -3.52 113.55 115.14 1qpm h SER 80 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1qpm h SER 80 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1qpm h SER 80 CO 0.00 0.74 0.00 1.07 -0.87 0.00 0.00 176.83 177.77