#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 -0.34 -0.07 3.14 0.01 -1.26 -5.16 113.70 110.01 1qpm s SER 14 Ca 0.00 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1qpm s SER 14 Cb 0.00 0.69 -0.01 0.00 0.21 0.00 0.00 66.02 66.91 1qpm s SER 14 CO 0.00 -1.23 -0.24 -0.63 0.41 0.00 0.00 173.24 171.55 1qpm s ILE 15 N -3.87 2.00 -0.02 1.44 1.01 -1.26 -5.12 121.20 115.38 1qpm s ILE 15 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1qpm s ILE 15 Cb -0.04 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.74 1qpm s ILE 15 CO 0.01 0.55 0.02 0.26 0.00 0.00 0.00 174.94 175.78 1qpm s TRP 16 N 0.05 0.06 -0.00 3.97 0.52 -1.26 -3.85 118.94 118.43 1qpm s TRP 16 Ca -0.10 0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1qpm s TRP 16 Cb -0.15 -0.20 -0.01 0.00 -1.15 0.00 0.00 33.47 31.95 1qpm s TRP 16 CO 0.06 -0.07 -0.13 0.00 0.02 0.00 0.00 176.95 176.82 1qpm s SER 18 N -0.47 4.33 0.24 0.00 0.15 -1.26 -3.00 113.70 113.68 1qpm s SER 18 Ca 0.04 1.44 -0.06 0.00 0.70 0.00 0.00 55.95 58.08 1qpm s SER 18 Cb -0.06 -2.18 0.32 0.00 -1.71 0.00 0.00 66.02 62.39 1qpm s SER 18 CO -0.00 -2.09 1.85 1.55 1.20 0.00 0.00 173.24 175.74 1qpm h PRO 19 N -1.17 0.91 -0.75 5.44 0.13 -1.99 -1.34 132.00 133.23 1qpm h PRO 19 Ca -0.47 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1qpm h PRO 19 Cb 1.26 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1qpm h PRO 19 CO 0.57 0.60 0.50 1.96 -0.23 0.00 0.00 178.00 181.40 1qpm h GLN 20 N 0.94 0.99 -0.80 0.86 7.50 -1.95 1.34 115.11 123.99 1qpm h GLN 20 Ca 0.36 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.42 1qpm h GLN 20 Cb 0.16 -0.22 -0.04 0.00 0.05 0.00 0.00 27.48 27.43 1qpm h GLN 20 CO -0.17 0.66 0.38 0.93 -1.50 0.00 0.00 178.83 179.13 1qpm h GLU 21 N 1.02 1.15 -0.11 1.46 5.08 -1.72 -2.67 114.58 118.79 1qpm h GLU 21 Ca 0.27 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1qpm h GLU 21 Cb -0.12 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1qpm h GLU 21 CO -0.06 0.90 -0.11 0.82 -1.00 0.00 0.00 179.01 179.56 1qpm h ILE 22 N 1.13 1.36 -1.66 3.13 2.04 -0.14 -3.04 117.51 120.33 1qpm h ILE 22 Ca 0.27 -1.26 0.48 0.00 1.00 0.00 0.00 64.86 65.36 1qpm h ILE 22 Cb 0.12 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 1qpm h ILE 22 CO -0.03 0.36 1.19 0.24 0.00 0.00 0.00 178.15 179.91 1qpm h MET 23 N -0.13 0.00 0.00 2.37 2.86 0.21 2.19 114.93 122.43 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 0.62 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1qpm h MET 23 CO 0.03 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.00 1qpm n ALA 24 N -2.86 2.21 -2.65 6.32 0.00 -1.14 -4.68 120.51 117.70 1qpm n ALA 24 Ca 0.37 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1qpm n ALA 24 Cb 1.70 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 3.61 0.27 0.00 0.00 0.74 -4.93 121.76 118.46 1qpm s ALA 25 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1qpm s ALA 25 Cb 0.17 -3.26 0.32 0.00 0.00 0.00 0.00 23.12 20.36 1qpm s ALA 25 CO 0.48 -0.85 1.94 0.22 0.00 0.00 0.00 175.76 177.56 1qpm h ASP 26 N 7.59 1.09 -0.61 0.00 1.82 -1.83 -2.08 116.42 122.39 1qpm h ASP 26 Ca -0.25 -0.03 0.18 0.00 -0.39 0.00 0.00 57.03 56.54 1qpm h ASP 26 Cb 1.10 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1qpm h ASP 26 CO 0.86 0.79 0.80 1.23 -1.61 0.00 0.00 179.24 181.31 1qpm h GLY 27 N 1.28 0.00 -7.31 -0.78 0.00 -1.91 -3.13 103.07 91.22 1qpm h GLY 27 Ca 0.35 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.04 1qpm h GLY 27 CO -0.07 0.00 -0.61 1.06 0.00 0.00 0.00 176.54 176.92 1qpm s MET 28 N -4.45 2.13 0.49 4.80 -1.94 -0.78 -5.07 119.30 114.47 1qpm s MET 28 Ca -0.03 -2.82 -0.17 0.00 -1.71 0.00 0.00 55.69 50.95 1qpm s MET 28 Cb 0.13 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.53 1qpm s MET 28 CO 0.45 -1.16 0.96 -1.25 -0.01 0.00 0.00 175.02 174.01 1qpm s PRO 29 N -0.61 4.00 0.00 2.03 0.04 -1.19 -4.80 135.00 134.48 1qpm s PRO 29 Ca 0.19 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1qpm s PRO 29 Cb -0.20 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1qpm s PRO 29 CO -0.04 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1qpm n GLY 30 N -1.33 2.70 0.00 0.56 0.00 -1.26 -4.40 105.19 101.46 1qpm n GLY 30 Ca 0.06 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -0.47 -0.04 1.61 3.41 -1.26 -4.42 113.62 112.45 1qpm n SER 31 Ca 0.00 -0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 57.93 1qpm n SER 31 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.11 0.74 -0.55 -3.33 2.07 -1.98 0.12 116.25 112.21 1qpm h VAL 32 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1qpm h VAL 32 Cb 0.00 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1qpm h VAL 32 CO 0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 1qpm h ALA 33 N 1.17 1.15 -1.00 1.67 0.00 -1.99 -2.15 119.26 118.10 1qpm h ALA 33 Ca 0.11 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1qpm h ALA 33 Cb 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1qpm h ALA 33 CO -0.24 0.57 0.65 0.78 0.00 0.00 0.00 179.25 181.01 1qpm h GLY 34 N 0.99 1.49 1.04 0.00 0.00 -1.37 0.19 103.07 105.41 1qpm h GLY 34 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1qpm h GLY 34 CO 0.00 0.38 0.36 -2.08 0.00 0.00 0.00 176.54 175.21 1qpm h VAL 35 N 1.22 1.26 -0.74 4.60 2.07 -0.21 -1.63 116.25 122.83 1qpm h VAL 35 Ca 0.41 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1qpm h VAL 35 Cb 0.08 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1qpm h VAL 35 CO -0.15 0.32 0.21 0.45 0.02 0.00 0.00 177.57 178.42 1qpm h HIS 36 N 1.15 1.21 0.01 1.57 3.86 -0.52 -0.83 115.15 121.61 1qpm h HIS 36 Ca 0.27 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1qpm h HIS 36 Cb 0.16 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1qpm h HIS 36 CO 0.02 0.96 -0.00 -0.92 0.86 0.00 0.00 177.93 178.85 1qpm h TYR 37 N 1.11 -0.01 0.13 2.45 3.20 0.05 0.06 116.97 123.96 1qpm h TYR 37 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1qpm h TYR 37 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1qpm h TYR 37 CO 0.03 -0.00 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.39 1qpm h ARG 38 N -0.02 -0.17 0.00 1.82 2.43 -1.18 -2.59 114.38 114.67 1qpm h ARG 38 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qpm h ARG 38 Cb 0.01 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1qpm h ARG 38 CO 0.00 0.12 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 1qpm n ALA 39 N -2.32 1.44 -0.24 2.80 0.00 -0.33 -2.63 120.51 119.23 1qpm n ALA 39 Ca -0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1qpm n ALA 39 Cb 0.20 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 1.05 -0.44 0.00 -0.00 -0.56 -2.90 115.58 112.73 1qpm h ASN 40 Ca 0.00 -0.26 -0.14 0.00 -0.00 0.00 0.00 56.30 55.90 1qpm h ASN 40 Cb 0.09 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.12 1qpm h ASN 40 CO 0.00 1.04 -0.28 0.58 -0.00 0.00 0.00 177.43 178.77 1qpm h VAL 41 N 1.01 1.27 -4.32 2.57 2.07 -1.66 -3.44 116.25 113.76 1qpm h VAL 41 Ca 0.20 -1.45 -0.51 0.00 0.82 0.00 0.00 66.70 65.76 1qpm h VAL 41 Cb 0.43 1.22 0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1qpm h VAL 41 CO 0.01 0.50 0.39 -1.10 0.02 0.00 0.00 177.57 177.39 1qpm s GLN 42 N -4.56 3.29 -0.83 1.57 -0.21 -1.09 -4.95 119.66 112.87 1qpm s GLN 42 Ca -0.11 0.91 -0.03 0.00 0.02 0.00 0.00 55.36 56.15 1qpm s GLN 42 Cb 0.12 -2.04 0.21 0.00 1.00 0.00 0.00 33.01 32.30 1qpm s GLN 42 CO 0.88 -0.82 2.30 0.41 -2.12 0.00 0.00 175.29 175.94 1qpm n GLY 43 N -2.11 5.19 3.77 3.09 0.00 -1.26 -4.94 105.19 108.93 1qpm n GLY 43 Ca 0.07 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.86 2.86 0.07 1.61 0.52 -1.26 -4.95 118.94 114.93 1qpm s TRP 44 Ca 0.52 1.36 -0.30 0.00 0.02 0.00 0.00 56.10 57.70 1qpm s TRP 44 Cb 0.33 -3.75 -0.06 0.00 -1.15 0.00 0.00 33.47 28.85 1qpm s TRP 44 CO -0.25 -2.20 1.15 -0.08 0.02 0.00 0.00 176.95 175.59 1qpm s THR 45 N -1.18 4.14 0.07 2.01 -1.32 -1.26 -4.98 115.64 113.11 1qpm s THR 45 Ca 0.53 1.58 0.07 0.00 -1.21 0.00 0.00 61.69 62.66 1qpm s THR 45 Cb -0.41 -4.01 -0.03 0.00 -1.51 0.00 0.00 72.50 66.54 1qpm s THR 45 CO 0.54 0.15 -0.19 -0.54 -2.21 0.00 0.00 174.62 172.37 1qpm s LYS 46 N 0.78 1.12 -0.08 7.08 1.02 -1.26 -3.28 119.74 125.13 1qpm s LYS 46 Ca 0.56 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.51 1qpm s LYS 46 Cb -0.28 -1.27 0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1qpm s LYS 46 CO 0.30 0.30 0.18 -0.98 -0.92 0.00 0.00 175.35 174.23 1qpm s ARG 47 N -1.56 0.13 -0.51 1.68 1.70 -1.18 -4.98 118.95 114.24 1qpm s ARG 47 Ca 0.05 0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 55.49 1qpm s ARG 47 Cb -0.09 -0.14 0.04 0.00 -0.57 0.00 0.00 34.95 34.18 1qpm s ARG 47 CO 0.03 -0.15 0.79 -1.59 -1.08 0.00 0.00 175.30 173.29 1qpm s LYS 48 N 1.12 3.28 -0.51 3.89 -2.85 -1.26 -2.80 119.74 120.61 1qpm s LYS 48 Ca -0.09 -0.43 -0.20 0.00 -1.00 0.00 0.00 55.97 54.26 1qpm s LYS 48 Cb -0.10 -4.03 0.06 0.00 -2.06 0.00 0.00 37.83 31.69 1qpm s LYS 48 CO -0.06 -1.29 0.66 0.21 0.10 0.00 0.00 175.35 174.97 1qpm s LYS 49 N 3.32 3.14 0.14 1.78 2.20 0.20 -4.90 119.74 125.62 1qpm s LYS 49 Ca 0.25 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1qpm s LYS 49 Cb -0.15 -4.10 -0.07 0.00 -1.51 0.00 0.00 37.83 32.01 1qpm s LYS 49 CO 0.18 -1.26 1.11 -2.00 -0.36 0.00 0.00 175.35 173.02 1qpm s GLU 50 N 2.78 4.56 0.00 4.03 2.12 -1.26 -2.19 118.70 128.74 1qpm s GLU 50 Ca 0.17 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.21 1qpm s GLU 50 Cb -0.19 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1qpm s GLU 50 CO 0.13 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1qpm n GLY 51 N 2.34 0.00 2.60 -1.50 0.00 -1.26 -4.98 105.19 102.40 1qpm n GLY 51 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1qpm n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpm s VAL 52 N 0.00 -0.12 -0.57 1.61 1.01 -1.26 -4.87 120.40 116.20 1qpm s VAL 52 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1qpm s VAL 52 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1qpm s VAL 52 CO 0.00 -0.74 0.00 0.29 0.00 0.00 0.00 175.10 174.65 1qpm n LYS 53 N 4.63 -1.25 -1.26 2.72 5.02 -1.26 0.27 118.16 127.03 1qpm n LYS 53 Ca 0.05 0.34 -0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1qpm n LYS 53 Cb 0.42 -4.32 -0.04 0.00 -0.02 0.00 0.00 35.03 31.07 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 -0.06 1.05 0.03 0.72 0.00 -1.26 -4.85 105.19 100.81 1qpm n GLY 54 Ca -0.05 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.70 -0.94 3.17 -0.02 0.00 0.76 -4.94 105.19 101.52 1qpm n GLY 55 Ca -0.09 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.90 -1.84 -1.76 1.61 4.01 -1.26 -4.86 118.16 113.16 1qpm n LYS 56 Ca 0.22 1.61 -0.39 0.00 -0.51 0.00 0.00 58.31 59.24 1qpm n LYS 56 Cb 0.11 -4.62 0.03 0.00 -0.51 0.00 0.00 35.03 30.05 1qpm n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qpm s ALA 57 N -2.61 2.97 0.02 7.82 0.00 -0.93 -4.75 121.76 124.27 1qpm s ALA 57 Ca 0.15 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1qpm s ALA 57 Cb -0.03 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1qpm s ALA 57 CO 0.80 -1.35 -0.11 0.54 0.00 0.00 0.00 175.76 175.64 1qpm s VAL 58 N -1.25 0.84 0.10 0.00 0.11 -1.26 0.61 120.40 119.55 1qpm s VAL 58 Ca 0.68 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1qpm s VAL 58 Cb -0.42 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1qpm s VAL 58 CO 0.52 0.06 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.66 1qpm s GLU 59 N -0.72 0.86 -0.01 1.54 2.02 -1.12 -4.11 118.70 117.15 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 -0.06 -0.37 -0.01 0.00 0.10 0.00 0.00 34.13 33.79 1qpm s GLU 59 CO 0.00 0.03 -0.18 0.71 0.02 0.00 0.00 175.26 175.84 1qpm s TYR 60 N -3.11 1.61 -0.13 1.61 1.51 -1.16 -3.08 117.35 114.59 1qpm s TYR 60 Ca 0.10 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.60 1qpm s TYR 60 Cb 0.02 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1qpm s TYR 60 CO -0.02 -0.03 0.80 0.34 -1.11 0.00 0.00 175.55 175.53 1qpm s ASP 61 N -0.41 6.98 0.40 2.29 -1.08 -1.20 -3.06 116.67 120.60 1qpm s ASP 61 Ca 0.07 1.20 0.13 0.00 -0.52 0.00 0.00 52.55 53.43 1qpm s ASP 61 Cb -0.07 -2.45 0.84 0.00 -1.46 0.00 0.00 42.92 39.78 1qpm s ASP 61 CO -0.01 -0.31 1.90 0.58 0.52 0.00 0.00 175.17 177.85 1qpm h VAL 62 N 5.05 1.20 0.00 1.11 2.07 -1.97 -2.33 116.25 121.39 1qpm h VAL 62 Ca -0.33 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1qpm h VAL 62 Cb 1.16 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1qpm h VAL 62 CO 0.81 0.28 0.00 0.23 0.02 0.00 0.00 177.57 178.90 1qpm n MET 63 N -4.20 0.26 -0.00 1.57 2.81 -1.26 -1.97 117.12 114.32 1qpm n MET 63 Ca -0.02 0.12 0.09 0.00 -1.81 0.00 0.00 57.70 56.08 1qpm n MET 63 Cb 0.33 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.25 0.77 -4.76 7.83 7.64 -0.88 -4.95 113.62 118.03 1qpm n SER 64 Ca 0.08 -0.66 -0.40 0.00 1.01 0.00 0.00 58.87 58.91 1qpm n SER 64 Cb 0.12 1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 64.55 1qpm n SER 64 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1qpm s MET 65 N -2.99 4.67 0.99 1.43 -1.94 -0.83 -4.86 119.30 115.77 1qpm s MET 65 Ca 0.03 1.64 -0.17 0.00 -1.71 0.00 0.00 55.69 55.48 1qpm s MET 65 Cb 0.14 -3.13 -0.11 0.00 2.01 0.00 0.00 34.83 33.74 1qpm s MET 65 CO 0.80 0.29 -0.59 -2.30 -0.01 0.00 0.00 175.02 173.21 1qpm n PRO 66 N 1.13 -0.08 -0.36 2.03 -0.02 -1.26 -4.51 135.00 131.93 1qpm n PRO 66 Ca -0.01 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.43 1qpm n PRO 66 Cb 0.46 -1.18 0.10 0.00 -0.02 0.00 0.00 33.50 32.87 1qpm n PRO 66 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1qpm h THR 67 N -1.12 1.26 -0.24 3.45 2.02 -1.97 -2.03 112.91 114.28 1qpm h THR 67 Ca -0.44 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.26 1qpm h THR 67 Cb 1.30 -0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1qpm h THR 67 CO 0.25 0.27 -0.14 0.11 0.37 0.00 0.00 175.52 176.38 1qpm h LYS 68 N 1.32 -0.11 0.00 6.66 1.57 -2.01 -0.29 116.57 123.71 1qpm h LYS 68 Ca 0.35 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1qpm h LYS 68 Cb -0.08 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1qpm h LYS 68 CO -0.07 -0.07 -0.45 0.93 -0.57 0.00 0.00 179.45 179.21 1qpm h GLU 69 N -0.12 0.00 -0.01 3.15 4.39 -1.84 -3.07 114.58 117.08 1qpm h GLU 69 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1qpm h GLU 69 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1qpm h GLU 69 CO -0.31 0.45 -0.00 -0.09 -1.16 0.00 0.00 179.01 177.90 1qpm h ARG 70 N 0.00 0.00 -0.11 2.33 2.43 -0.33 -1.92 114.38 116.78 1qpm h ARG 70 Ca -0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1qpm h ARG 70 Cb 0.81 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1qpm h ARG 70 CO 0.06 0.00 -0.17 1.05 -1.51 0.00 0.00 179.97 179.40 1qpm h GLU 71 N 0.00 0.18 -0.62 0.20 -0.00 -1.30 -2.53 114.58 110.50 1qpm h GLU 71 Ca 0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.36 59.26 1qpm h GLU 71 Cb 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 28.71 1qpm h GLU 71 CO -0.01 0.35 0.12 1.96 -0.00 0.00 0.00 179.01 181.43 1qpm h GLN 72 N 0.17 0.99 -0.19 1.06 4.20 -1.30 -0.40 115.11 119.64 1qpm h GLN 72 Ca 0.03 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1qpm h GLN 72 Cb 0.40 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1qpm h GLN 72 CO 0.03 0.90 -0.16 0.28 -0.67 0.00 0.00 178.83 179.21 1qpm h VAL 73 N 0.94 1.33 -0.64 -0.54 2.07 -0.96 -2.31 116.25 116.14 1qpm h VAL 73 Ca 0.20 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1qpm h VAL 73 Cb 0.38 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1qpm h VAL 73 CO 0.01 0.39 0.37 0.40 0.02 0.00 0.00 177.57 178.76 1qpm h ILE 74 N 0.10 1.19 -0.85 4.57 1.08 -1.33 -2.57 117.51 119.71 1qpm h ILE 74 Ca 0.03 -0.46 0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1qpm h ILE 74 Cb 0.69 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 1qpm h ILE 74 CO 0.04 0.21 0.57 0.00 -0.69 0.00 0.00 178.15 178.27 1qpm h ALA 75 N 1.18 1.08 -0.90 1.87 0.00 -1.00 -0.75 119.26 120.75 1qpm h ALA 75 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1qpm h ALA 75 Cb 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1qpm h ALA 75 CO -0.04 0.49 0.59 1.25 0.00 0.00 0.00 179.25 181.53 1qpm h HIS 76 N 1.16 1.14 -0.07 0.00 -0.00 -1.03 -1.91 115.15 114.44 1qpm h HIS 76 Ca 0.31 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.59 1qpm h HIS 76 Cb -0.13 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 26.88 1qpm h HIS 76 CO -0.01 0.73 -0.48 -0.07 -0.00 0.00 0.00 177.93 178.10 1qpm h LEU 77 N 1.22 0.19 -0.62 0.26 3.38 -1.06 -3.10 115.31 115.59 1qpm h LEU 77 Ca 0.33 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1qpm h LEU 77 Cb -0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1qpm h LEU 77 CO -0.07 0.65 0.41 1.23 0.09 0.00 0.00 178.44 180.75 1qpm h GLY 78 N 1.35 0.87 -1.11 0.83 0.00 -0.33 -3.43 103.07 101.24 1qpm h GLY 78 Ca 0.01 -0.33 -0.46 0.00 0.00 0.00 0.00 47.33 46.55 1qpm h GLY 78 CO 0.07 0.32 0.24 0.48 0.00 0.00 0.00 176.54 177.65 1qpm s LEU 79 N -10.14 2.83 0.15 3.11 0.05 -1.11 -4.96 118.68 108.60 1qpm s LEU 79 Ca -0.13 0.51 -0.33 0.00 0.05 0.00 0.00 54.13 54.22 1qpm s LEU 79 Cb 0.13 -3.16 -0.13 0.00 -2.05 0.00 0.00 46.19 40.98 1qpm s LEU 79 CO 0.76 -1.57 1.66 -1.20 -0.55 0.00 0.00 176.35 175.44 1qpm n SER 80 N -2.92 3.41 -0.07 1.48 7.64 -1.26 -4.96 113.62 116.94 1qpm n SER 80 Ca 0.08 1.06 0.16 0.00 1.01 0.00 0.00 58.87 61.17 1qpm n SER 80 Cb 0.60 -1.47 0.89 0.00 -1.01 0.00 0.00 64.21 63.23 1qpm n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38