#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y s TRP 2 N 0.00 3.85 0.07 0.66 1.48 -1.26 -5.07 118.94 118.67 1q7y s TRP 2 Ca 0.00 1.49 -0.12 0.00 -1.06 0.00 0.00 56.10 56.41 1q7y s TRP 2 Cb 0.00 -2.69 -0.06 0.00 -1.16 0.00 0.00 33.47 29.57 1q7y s TRP 2 CO 0.00 0.51 0.43 -0.51 -4.06 0.00 0.00 176.95 173.31 1q7y s ASP 3 N -0.98 6.71 0.01 -2.66 1.01 -1.26 -5.04 116.67 114.46 1q7y s ASP 3 Ca 0.34 0.88 -0.17 0.00 0.71 0.00 0.00 52.55 54.30 1q7y s ASP 3 Cb -0.22 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 1q7y s ASP 3 CO 0.23 0.20 0.96 0.58 0.21 0.00 0.00 175.17 177.35 1q7y h VAL 4 N 3.05 0.00 -3.70 -1.27 2.07 -1.95 -3.40 116.25 111.05 1q7y h VAL 4 Ca -0.50 -0.19 -0.51 0.00 0.82 0.00 0.00 66.70 66.32 1q7y h VAL 4 Cb 1.20 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1q7y h VAL 4 CO 0.65 0.00 0.54 -0.63 0.02 0.00 0.00 177.57 178.15 1q7y s ILE 5 N -3.86 3.37 -0.16 4.57 1.01 -1.26 -0.75 121.20 124.12 1q7y s ILE 5 Ca -0.09 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.75 1q7y s ILE 5 Cb 0.01 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1q7y s ILE 5 CO 0.27 0.27 -0.24 0.29 0.00 0.00 0.00 174.94 175.53 1q7y n LYS 6 N 1.61 0.39 -3.61 2.79 5.02 -0.39 -4.87 118.16 119.11 1q7y n LYS 6 Ca 0.01 0.17 -0.01 0.00 -2.02 0.00 0.00 58.31 56.46 1q7y n LYS 6 Cb 0.44 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 1q7y n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1q7y s HIS 7 N -2.43 -0.05 0.26 2.13 -3.43 -1.11 -5.02 115.29 105.64 1q7y s HIS 7 Ca -0.24 0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 53.73 1q7y s HIS 7 Cb 0.08 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.65 1q7y s HIS 7 CO 0.32 -0.14 1.15 -2.14 -2.00 0.00 0.00 174.74 171.93 1q7y s PRO 8 N -2.25 4.57 -0.81 -0.38 0.02 -1.26 -1.16 135.00 133.73 1q7y s PRO 8 Ca 0.12 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 62.82 1q7y s PRO 8 Cb 0.02 -3.19 0.12 0.00 0.02 0.00 0.00 34.50 31.47 1q7y s PRO 8 CO -0.04 0.08 1.00 -1.58 -0.33 0.00 0.00 177.00 176.13 1q7y s HIS 9 N -0.87 3.06 -0.31 6.54 2.46 0.11 -4.77 115.29 121.50 1q7y s HIS 9 Ca 0.47 -1.19 -0.11 0.00 0.47 0.00 0.00 55.06 54.70 1q7y s HIS 9 Cb -0.33 -4.21 -0.03 0.00 -0.13 0.00 0.00 32.58 27.89 1q7y s HIS 9 CO 0.41 -1.45 0.20 0.54 -2.47 0.00 0.00 174.74 171.97 1q7y s VAL 10 N 2.78 5.11 0.10 0.89 0.11 -1.26 -4.60 120.40 123.53 1q7y s VAL 10 Ca 0.26 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 1q7y s VAL 10 Cb -0.11 -3.55 0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1q7y s VAL 10 CO -0.03 0.10 0.46 0.42 -3.33 0.00 0.00 175.10 172.73 1q7y s THR 11 N 1.71 0.05 0.31 5.04 -4.23 -1.26 -4.99 115.64 112.26 1q7y s THR 11 Ca 0.06 -0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1q7y s THR 11 Cb -0.17 -1.07 0.33 0.00 1.34 0.00 0.00 72.50 72.93 1q7y s THR 11 CO 0.10 -0.21 1.64 -0.33 -0.54 0.00 0.00 174.62 175.27 1q7y h GLU 12 N 2.48 0.20 -0.03 3.99 3.07 -2.00 0.87 114.58 123.17 1q7y h GLU 12 Ca -0.33 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.38 1q7y h GLU 12 Cb 1.25 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1q7y h GLU 12 CO 0.44 0.13 -0.63 -0.22 -1.40 0.00 0.00 179.01 177.32 1q7y h LYS 13 N 0.21 0.12 -0.20 2.33 3.64 -1.98 -2.55 116.57 118.13 1q7y h LYS 13 Ca 0.63 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.80 1q7y h LYS 13 Cb 1.36 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1q7y h LYS 13 CO -0.68 0.71 -0.40 0.00 -2.27 0.00 0.00 179.45 176.81 1q7y h ALA 14 N 1.27 0.93 -0.35 5.00 0.00 0.35 -2.94 119.26 123.51 1q7y h ALA 14 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1q7y h ALA 14 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1q7y h ALA 14 CO 0.09 0.63 0.16 0.52 0.00 0.00 0.00 179.25 180.65 1q7y h MET 15 N 0.39 0.52 0.00 0.00 2.86 -0.53 -2.24 114.93 115.93 1q7y h MET 15 Ca 0.04 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1q7y h MET 15 Cb 0.87 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1q7y h MET 15 CO 0.07 0.48 -0.11 -0.91 1.06 0.00 0.00 176.91 177.50 1q7y h ASN 16 N 0.43 0.00 0.42 1.22 2.35 -1.36 0.45 115.58 119.09 1q7y h ASN 16 Ca 0.12 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.57 1q7y h ASN 16 Cb 0.14 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.53 1q7y h ASN 16 CO -0.01 0.11 -1.31 0.44 -1.65 0.00 0.00 177.43 175.01 1q7y h ASP 17 N 0.00 0.64 0.36 5.81 5.19 -1.34 -1.91 116.42 125.17 1q7y h ASP 17 Ca -0.00 -0.66 -0.02 0.00 -0.62 0.00 0.00 57.03 55.73 1q7y h ASP 17 Cb 0.27 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1q7y h ASP 17 CO 0.01 1.50 -0.17 -0.03 -3.12 0.00 0.00 179.24 177.43 1q7y h MET 18 N 0.13 -0.47 -0.66 3.56 4.05 -0.67 0.23 114.93 121.11 1q7y h MET 18 Ca -0.18 0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.19 1q7y h MET 18 Cb 2.01 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 32.89 1q7y h MET 18 CO 0.23 -0.15 0.09 -0.44 0.23 0.00 0.00 176.91 176.87 1q7y h ASP 19 N -0.96 1.05 0.35 1.39 3.32 -0.27 -2.59 116.42 118.72 1q7y h ASP 19 Ca -0.05 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1q7y h ASP 19 Cb 0.53 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1q7y h ASP 19 CO 0.08 1.05 -1.67 0.49 -1.72 0.00 0.00 179.24 177.47 1q7y n PHE 20 N -4.21 0.35 -1.10 4.55 0.99 -0.72 -4.63 117.46 112.71 1q7y n PHE 20 Ca 0.04 0.11 0.01 0.00 -0.00 0.00 0.00 57.45 57.61 1q7y n PHE 20 Cb 0.30 -0.70 0.01 0.00 -1.00 0.00 0.00 39.48 38.09 1q7y n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1q7y n GLN 21 N -2.44 0.59 -3.72 -1.08 6.02 0.70 -5.02 117.38 112.44 1q7y n GLN 21 Ca -0.04 -0.96 -0.24 0.00 -0.01 0.00 0.00 57.00 55.75 1q7y n GLN 21 Cb 0.60 -0.66 0.03 0.00 1.02 0.00 0.00 30.24 31.23 1q7y n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q7y n ASN 22 N -0.20 -2.08 -4.23 1.08 5.15 -0.52 -4.80 115.26 109.67 1q7y n ASN 22 Ca 0.01 -0.89 -0.23 0.00 -0.60 0.00 0.00 54.58 52.87 1q7y n ASN 22 Cb 0.52 -3.81 -0.13 0.00 -0.53 0.00 0.00 39.78 35.83 1q7y n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1q7y s LYS 23 N -5.99 1.18 -0.16 1.20 1.02 -0.83 -1.24 119.74 114.93 1q7y s LYS 23 Ca 0.12 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.18 1q7y s LYS 23 Cb -0.03 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1q7y s LYS 23 CO 0.83 0.32 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.88 1q7y s LEU 24 N -1.36 2.22 -0.23 3.17 1.43 0.47 -3.02 118.68 121.36 1q7y s LEU 24 Ca 0.05 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 1q7y s LEU 24 Cb -0.09 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1q7y s LEU 24 CO 0.02 0.06 0.36 -1.10 0.23 0.00 0.00 176.35 175.91 1q7y s GLN 25 N 0.97 4.12 0.04 1.70 -0.21 -1.26 -1.34 119.66 123.68 1q7y s GLN 25 Ca -0.03 0.09 0.07 0.00 0.02 0.00 0.00 55.36 55.51 1q7y s GLN 25 Cb -0.15 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.27 1q7y s GLN 25 CO -0.05 -0.09 -0.19 -0.06 -2.12 0.00 0.00 175.29 172.79 1q7y s PHE 26 N 1.48 1.66 -0.34 0.91 0.40 -0.01 0.07 117.98 122.15 1q7y s PHE 26 Ca 0.16 -0.37 -0.24 0.00 -0.60 0.00 0.00 56.93 55.89 1q7y s PHE 26 Cb -0.15 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1q7y s PHE 26 CO 0.08 0.08 0.81 0.00 0.70 0.00 0.00 175.22 176.89 1q7y s ALA 27 N -0.80 3.47 0.41 5.36 0.00 -0.31 -1.13 121.76 128.76 1q7y s ALA 27 Ca 0.06 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1q7y s ALA 27 Cb -0.08 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1q7y s ALA 27 CO 0.02 -1.39 0.06 0.14 0.00 0.00 0.00 175.76 174.59 1q7y s VAL 28 N 3.11 2.12 0.38 0.00 -7.23 -0.84 -1.26 120.40 116.68 1q7y s VAL 28 Ca 0.33 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.34 1q7y s VAL 28 Cb -0.13 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 1q7y s VAL 28 CO 0.15 -0.01 1.09 -0.62 -0.31 0.00 0.00 175.10 175.41 1q7y s ASP 29 N -3.77 6.75 0.00 4.85 -1.08 0.07 -3.16 116.67 120.33 1q7y s ASP 29 Ca 0.37 2.16 0.09 0.00 -0.52 0.00 0.00 52.55 54.65 1q7y s ASP 29 Cb 0.08 -2.60 0.54 0.00 -1.46 0.00 0.00 42.92 39.48 1q7y s ASP 29 CO 0.19 -0.50 1.16 -0.90 0.52 0.00 0.00 175.17 175.65 1q7y n ASP 30 N 0.15 0.00 -0.07 -0.34 5.75 -1.26 -2.40 116.55 118.38 1q7y n ASP 30 Ca 0.04 -1.27 0.09 0.00 -0.01 0.00 0.00 54.79 53.64 1q7y n ASP 30 Cb 0.48 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 1q7y n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q7y n ARG 31 N -0.68 0.86 -2.50 0.11 1.74 -1.26 -4.94 116.66 109.98 1q7y n ARG 31 Ca 0.07 -0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1q7y n ARG 31 Cb 0.03 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1q7y n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q7y s ALA 32 N -2.70 3.38 0.56 7.54 0.00 -1.01 -5.04 121.76 124.49 1q7y s ALA 32 Ca 0.09 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1q7y s ALA 32 Cb 0.15 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1q7y s ALA 32 CO 0.73 -0.22 0.81 -1.54 0.00 0.00 0.00 175.76 175.55 1q7y s SER 33 N -0.14 5.32 0.27 0.00 1.04 -1.26 -4.89 113.70 114.04 1q7y s SER 33 Ca 0.49 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 57.11 1q7y s SER 33 Cb -0.30 -1.12 0.50 0.00 0.10 0.00 0.00 66.02 65.20 1q7y s SER 33 CO 0.35 -1.14 1.82 0.11 0.98 0.00 0.00 173.24 175.36 1q7y h LYS 34 N -0.02 0.85 -0.01 4.02 1.57 -1.96 -0.89 116.57 120.14 1q7y h LYS 34 Ca -0.44 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1q7y h LYS 34 Cb 1.29 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1q7y h LYS 34 CO 0.55 0.56 -0.25 0.78 -0.57 0.00 0.00 179.45 180.52 1q7y h GLY 35 N 0.87 -0.38 1.06 3.86 0.00 -1.94 0.20 103.07 106.74 1q7y h GLY 35 Ca 0.46 0.30 0.01 0.00 0.00 0.00 0.00 47.33 48.10 1q7y h GLY 35 CO -0.27 -0.21 0.62 0.83 0.00 0.00 0.00 176.54 177.51 1q7y h GLU 36 N -0.39 1.26 0.04 4.80 5.08 -1.67 -1.25 114.58 122.46 1q7y h GLU 36 Ca 0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1q7y h GLU 36 Cb 0.47 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1q7y h GLU 36 CO -0.23 0.84 -0.02 0.28 -1.00 0.00 0.00 179.01 178.89 1q7y h VAL 37 N 1.30 1.12 -0.17 3.13 2.07 -0.83 -2.03 116.25 120.83 1q7y h VAL 37 Ca 0.35 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1q7y h VAL 37 Cb -0.13 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1q7y h VAL 37 CO -0.07 0.13 -0.31 0.00 0.02 0.00 0.00 177.57 177.34 1q7y h ALA 38 N 0.65 -0.32 0.36 1.67 0.00 0.16 0.90 119.26 122.68 1q7y h ALA 38 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q7y h ALA 38 Cb 0.26 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1q7y h ALA 38 CO 0.01 -0.77 -0.30 -0.44 0.00 0.00 0.00 179.25 177.75 1q7y h ASP 39 N -0.36 -0.81 -0.40 0.00 3.32 -1.26 -0.76 116.42 116.16 1q7y h ASP 39 Ca 0.11 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1q7y h ASP 39 Cb 0.53 0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.25 1q7y h ASP 39 CO -0.37 -0.45 -0.27 0.00 -1.72 0.00 0.00 179.24 176.43 1q7y h ALA 40 N -0.15 -0.04 -0.80 3.45 0.00 -1.21 0.74 119.26 121.25 1q7y h ALA 40 Ca -0.03 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1q7y h ALA 40 Cb 0.59 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1q7y h ALA 40 CO -0.03 -0.65 0.45 0.28 0.00 0.00 0.00 179.25 179.31 1q7y h VAL 41 N -0.19 0.90 -0.34 0.00 2.07 -0.39 -1.70 116.25 116.60 1q7y h VAL 41 Ca 0.19 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1q7y h VAL 41 Cb 0.49 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1q7y h VAL 41 CO -0.52 0.14 0.07 -0.33 0.02 0.00 0.00 177.57 176.95 1q7y h GLU 42 N 0.76 0.56 0.00 1.57 5.08 0.57 -2.69 114.58 120.43 1q7y h GLU 42 Ca 0.39 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1q7y h GLU 42 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1q7y h GLU 42 CO -0.25 0.62 -0.14 0.93 -1.00 0.00 0.00 179.01 179.17 1q7y h GLU 43 N 0.40 0.00 0.00 2.33 5.08 -0.59 0.67 114.58 122.47 1q7y h GLU 43 Ca 0.10 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1q7y h GLU 43 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1q7y h GLU 43 CO 0.00 0.14 -1.30 1.96 -1.00 0.00 0.00 179.01 178.82 1q7y h GLN 44 N 0.00 0.00 0.00 2.33 1.08 -1.24 -3.38 115.11 113.89 1q7y h GLN 44 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1q7y h GLN 44 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1q7y h GLN 44 CO 0.02 0.29 0.00 0.66 -0.95 0.00 0.00 178.83 178.85 1q7y n TYR 45 N -2.91 0.00 -3.53 2.96 4.02 -1.02 -5.03 117.16 111.64 1q7y n TYR 45 Ca -0.08 -0.08 -0.25 0.00 -0.01 0.00 0.00 57.90 57.48 1q7y n TYR 45 Cb 0.81 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.18 1q7y n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1q7y n ASP 46 N -0.08 -5.63 -3.92 7.72 -0.08 0.23 -5.00 116.55 109.79 1q7y n ASP 46 Ca 0.00 -0.90 -0.18 0.00 -1.51 0.00 0.00 54.79 52.20 1q7y n ASP 46 Cb 0.11 -4.06 -0.09 0.00 2.34 0.00 0.00 41.12 39.43 1q7y n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1q7y s VAL 47 N -3.45 0.23 -0.31 5.18 -7.23 -1.20 -5.07 120.40 108.55 1q7y s VAL 47 Ca 0.45 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1q7y s VAL 47 Cb -0.12 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1q7y s VAL 47 CO 0.82 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 174.77 1q7y s THR 48 N -3.66 3.48 -0.56 5.32 2.01 -1.26 -4.55 115.64 116.43 1q7y s THR 48 Ca 0.37 -1.12 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 1q7y s THR 48 Cb 0.05 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.67 1q7y s THR 48 CO 0.18 -0.07 1.05 -0.69 -0.69 0.00 0.00 174.62 174.41 1q7y s VAL 49 N 1.37 4.22 0.09 3.82 1.01 -1.26 -1.49 120.40 128.16 1q7y s VAL 49 Ca -0.02 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 1q7y s VAL 49 Cb -0.19 -4.62 -0.18 0.00 0.00 0.00 0.00 36.38 31.39 1q7y s VAL 49 CO 0.01 -1.20 1.27 -0.33 0.00 0.00 0.00 175.10 174.84 1q7y h GLU 50 N 9.41 0.77 -2.84 2.72 4.39 -1.52 -3.48 114.58 124.03 1q7y h GLU 50 Ca -0.25 -0.68 -0.07 0.00 0.34 0.00 0.00 59.36 58.69 1q7y h GLU 50 Cb 1.07 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.71 1q7y h GLU 50 CO 1.13 1.28 -0.03 -1.14 -1.16 0.00 0.00 179.01 179.09 1q7y s GLN 51 N -3.62 0.97 -0.10 2.33 0.74 -1.19 -5.01 119.66 113.77 1q7y s GLN 51 Ca -0.10 -0.25 -0.03 0.00 0.05 0.00 0.00 55.36 55.03 1q7y s GLN 51 Cb 0.08 0.44 0.04 0.00 1.10 0.00 0.00 33.01 34.67 1q7y s GLN 51 CO 0.91 -0.34 0.05 0.08 -0.55 0.00 0.00 175.29 175.44 1q7y s VAL 52 N -2.30 0.10 -0.09 1.34 1.01 -1.26 -0.94 120.40 118.25 1q7y s VAL 52 Ca -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1q7y s VAL 52 Cb -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1q7y s VAL 52 CO -0.01 0.03 -0.02 0.20 0.00 0.00 0.00 175.10 175.30 1q7y s ASN 53 N 2.07 5.05 0.36 3.32 0.01 0.27 -4.91 114.94 121.12 1q7y s ASN 53 Ca 0.03 0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.34 1q7y s ASN 53 Cb -0.14 -1.46 -0.07 0.00 0.41 0.00 0.00 41.25 39.99 1q7y s ASN 53 CO -0.06 0.34 -0.06 0.42 -1.51 0.00 0.00 177.10 176.23 1q7y s THR 54 N -0.64 2.19 -0.28 1.60 -4.23 -1.26 -0.70 115.64 112.32 1q7y s THR 54 Ca 0.10 -2.13 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 1q7y s THR 54 Cb -0.12 -2.76 0.09 0.00 1.34 0.00 0.00 72.50 71.05 1q7y s THR 54 CO 0.02 -0.14 0.75 -1.58 -0.54 0.00 0.00 174.62 173.13 1q7y s GLN 55 N -3.65 0.68 -0.59 3.99 0.74 -0.09 -4.97 119.66 115.78 1q7y s GLN 55 Ca 0.33 1.09 -0.19 0.00 0.05 0.00 0.00 55.36 56.65 1q7y s GLN 55 Cb 0.05 0.18 0.10 0.00 1.10 0.00 0.00 33.01 34.43 1q7y s GLN 55 CO 0.17 -0.13 0.71 -0.80 -0.55 0.00 0.00 175.29 174.69 1q7y s ASN 56 N 1.33 6.19 0.45 6.67 0.01 -1.26 0.32 114.94 128.65 1q7y s ASN 56 Ca -0.08 -1.35 -0.23 0.00 -0.71 0.00 0.00 52.86 50.49 1q7y s ASN 56 Cb -0.05 -2.31 -0.08 0.00 0.41 0.00 0.00 41.25 39.23 1q7y s ASN 56 CO -0.15 -1.10 1.11 -0.89 -1.51 0.00 0.00 177.10 174.55 1q7y s THR 57 N 2.74 3.38 -0.93 1.60 2.01 0.20 -4.92 115.64 119.73 1q7y s THR 57 Ca 0.12 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1q7y s THR 57 Cb -0.23 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1q7y s THR 57 CO 0.07 -0.05 0.22 0.23 -0.69 0.00 0.00 174.62 174.41 1q7y n MET 58 N -0.49 0.42 -0.00 4.92 2.81 -1.26 -0.10 117.12 123.42 1q7y n MET 58 Ca 0.07 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 1q7y n MET 58 Cb 0.49 -1.22 -0.06 0.00 -0.71 0.00 0.00 33.22 31.73 1q7y n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1q7y n ASP 59 N 0.32 1.77 0.00 7.83 10.43 -1.26 -4.99 116.55 130.65 1q7y n ASP 59 Ca 0.00 -0.33 0.00 0.00 2.57 0.00 0.00 54.79 57.03 1q7y n ASP 59 Cb 0.11 1.22 0.00 0.00 1.84 0.00 0.00 41.12 44.29 1q7y n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q7y n GLY 60 N 1.63 0.91 3.54 0.44 0.00 0.86 -5.06 105.19 107.49 1q7y n GLY 60 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1q7y n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q7y s GLU 61 N -0.78 1.82 0.06 1.61 2.02 -1.25 -4.93 118.70 117.25 1q7y s GLU 61 Ca 0.00 -2.04 0.02 0.00 0.02 0.00 0.00 54.97 52.97 1q7y s GLU 61 Cb 0.00 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 1q7y s GLU 61 CO 0.00 -0.17 0.11 0.21 0.02 0.00 0.00 175.26 175.42 1q7y s LYS 62 N -3.82 3.02 0.04 1.61 2.20 -1.19 -0.63 119.74 120.98 1q7y s LYS 62 Ca 0.33 -0.60 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1q7y s LYS 62 Cb 0.08 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1q7y s LYS 62 CO 0.15 0.59 -0.17 0.21 -0.36 0.00 0.00 175.35 175.77 1q7y s LYS 63 N -2.30 2.12 -0.03 4.03 2.20 0.97 -1.99 119.74 124.73 1q7y s LYS 63 Ca 0.29 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1q7y s LYS 63 Cb -0.12 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 1q7y s LYS 63 CO 0.22 0.55 -0.05 0.00 -0.36 0.00 0.00 175.35 175.70 1q7y s ALA 64 N -0.93 0.66 -0.31 3.13 0.00 -0.28 -0.92 121.76 123.11 1q7y s ALA 64 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 1q7y s ALA 64 Cb -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1q7y s ALA 64 CO 0.06 0.05 0.08 0.08 0.00 0.00 0.00 175.76 176.03 1q7y s VAL 65 N 0.57 3.89 -0.16 0.00 1.01 0.12 -0.83 120.40 125.00 1q7y s VAL 65 Ca -0.08 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1q7y s VAL 65 Cb -0.11 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1q7y s VAL 65 CO 0.00 0.01 -0.19 -0.69 0.00 0.00 0.00 175.10 174.23 1q7y s VAL 66 N 1.47 2.24 -0.09 2.92 1.01 -0.45 -0.57 120.40 126.93 1q7y s VAL 66 Ca 0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1q7y s VAL 66 Cb -0.18 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1q7y s VAL 66 CO 0.02 0.53 0.28 -0.60 0.00 0.00 0.00 175.10 175.33 1q7y s ARG 67 N 1.07 3.84 0.32 2.72 3.52 -0.12 0.18 118.95 130.48 1q7y s ARG 67 Ca -0.01 0.12 0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1q7y s ARG 67 Cb -0.14 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1q7y s ARG 67 CO -0.07 0.60 0.43 -0.51 -0.81 0.00 0.00 175.30 174.95 1q7y s LEU 68 N -0.64 3.97 0.44 -0.88 1.43 -0.37 -1.42 118.68 121.20 1q7y s LEU 68 Ca 0.18 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 1q7y s LEU 68 Cb -0.14 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 1q7y s LEU 68 CO 0.07 -0.38 1.05 -0.94 0.23 0.00 0.00 176.35 176.38 1q7y s SER 69 N -4.13 6.53 0.64 2.29 1.04 -0.55 -4.69 113.70 114.83 1q7y s SER 69 Ca 0.43 1.99 0.19 0.00 0.48 0.00 0.00 55.95 59.04 1q7y s SER 69 Cb -0.09 -2.57 0.91 0.00 0.10 0.00 0.00 66.02 64.37 1q7y s SER 69 CO 0.30 -0.65 1.49 -0.33 0.98 0.00 0.00 173.24 175.03 1q7y h GLU 70 N 2.01 0.00 0.00 4.02 5.08 -1.97 0.77 114.58 124.49 1q7y h GLU 70 Ca -0.49 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1q7y h GLU 70 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1q7y h GLU 70 CO 0.61 0.00 -0.20 0.22 -1.00 0.00 0.00 179.01 178.63 1q7y h ASP 71 N 0.00 0.00 -2.01 1.42 1.82 -1.97 -3.44 116.42 112.25 1q7y h ASP 71 Ca 0.11 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.23 1q7y h ASP 71 Cb 1.58 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.53 1q7y h ASP 71 CO -0.00 0.20 -0.52 -1.81 -1.61 0.00 0.00 179.24 175.50 1q7y s ASP 72 N -6.19 5.09 -0.14 2.28 1.01 0.27 -5.09 116.67 113.90 1q7y s ASP 72 Ca -0.00 -0.52 -0.01 0.00 0.71 0.00 0.00 52.55 52.73 1q7y s ASP 72 Cb 0.11 -1.01 0.04 0.00 1.01 0.00 0.00 42.92 43.07 1q7y s ASP 72 CO 0.62 -0.20 -0.04 -0.62 0.21 0.00 0.00 175.17 175.14 1q7y s ASP 73 N -3.87 2.47 0.14 0.27 -1.08 -1.26 -4.74 116.67 108.59 1q7y s ASP 73 Ca 0.36 -0.49 -0.18 0.00 -0.52 0.00 0.00 52.55 51.72 1q7y s ASP 73 Cb -0.06 -0.78 0.00 0.00 -1.46 0.00 0.00 42.92 40.62 1q7y s ASP 73 CO 0.24 -0.18 1.74 0.00 0.52 0.00 0.00 175.17 177.49 1q7y h ALA 74 N 8.18 0.28 -1.00 3.66 0.00 -1.86 -1.18 119.26 127.35 1q7y h ALA 74 Ca -0.24 0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.91 1q7y h ALA 74 Cb 1.12 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1q7y h ALA 74 CO 0.37 -0.35 0.61 1.96 0.00 0.00 0.00 179.25 181.85 1q7y h GLN 75 N 0.18 0.68 0.02 0.00 4.20 -1.93 0.14 115.11 118.39 1q7y h GLN 75 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1q7y h GLN 75 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1q7y h GLN 75 CO -0.14 0.45 -0.01 0.93 -0.67 0.00 0.00 178.83 179.39 1q7y h GLU 76 N 0.70 -0.02 -0.91 1.46 5.08 -1.91 -2.41 114.58 116.57 1q7y h GLU 76 Ca 0.57 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 59.02 1q7y h GLU 76 Cb 0.97 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1q7y h GLU 76 CO -0.36 0.70 0.59 0.28 -1.00 0.00 0.00 179.01 179.22 1q7y h VAL 77 N -0.81 1.00 0.00 3.13 2.07 -0.67 -1.37 116.25 119.60 1q7y h VAL 77 Ca -0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1q7y h VAL 77 Cb 0.74 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1q7y h VAL 77 CO 0.00 0.17 -0.67 0.00 0.02 0.00 0.00 177.57 177.10 1q7y h ALA 78 N 1.54 0.62 0.00 1.67 0.00 -1.07 -3.33 119.26 118.69 1q7y h ALA 78 Ca 0.41 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q7y h ALA 78 Cb 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1q7y h ALA 78 CO -0.17 0.75 -0.05 0.66 0.00 0.00 0.00 179.25 180.44 1q7y h SER 79 N 0.00 0.00 0.22 0.00 4.64 -0.71 -2.72 113.55 114.98 1q7y h SER 79 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1q7y h SER 79 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1q7y h SER 79 CO 0.07 0.05 -0.04 -2.11 -0.87 0.00 0.00 176.83 173.93 1q7y n ARG 80 N -3.36 0.88 0.00 4.77 1.85 -1.18 -5.09 116.66 114.53 1q7y n ARG 80 Ca -0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 1q7y n ARG 80 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1q7y n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06