#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s TRP 2 N 0.00 3.22 -0.02 0.66 1.48 -1.26 -5.06 118.94 117.97 3g4s s TRP 2 Ca 0.00 1.62 -0.04 0.00 -1.06 0.00 0.00 56.10 56.62 3g4s s TRP 2 Cb 0.00 -3.24 -0.04 0.00 -1.16 0.00 0.00 33.47 29.03 3g4s s TRP 2 CO 0.00 -0.87 0.18 -0.51 -4.06 0.00 0.00 176.95 171.69 3g4s s ASP 3 N -1.33 6.38 -0.01 -2.66 1.01 -1.26 -5.06 116.67 113.73 3g4s s ASP 3 Ca 0.56 0.38 -0.07 0.00 0.71 0.00 0.00 52.55 54.13 3g4s s ASP 3 Cb -0.26 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3g4s s ASP 3 CO 0.33 0.28 0.53 0.58 0.21 0.00 0.00 175.17 177.10 3g4s h VAL 4 N 2.98 0.00 -3.10 -1.27 2.07 -1.96 -3.41 116.25 111.56 3g4s h VAL 4 Ca -0.50 -0.24 -0.55 0.00 0.82 0.00 0.00 66.70 66.23 3g4s h VAL 4 Cb 1.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3g4s h VAL 4 CO 0.67 0.00 0.69 -0.63 0.02 0.00 0.00 177.57 178.32 3g4s s ILE 5 N -2.53 4.31 -0.09 4.57 1.01 -1.26 -2.00 121.20 125.20 3g4s s ILE 5 Ca -0.04 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.16 3g4s s ILE 5 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3g4s s ILE 5 CO 0.11 0.00 -0.16 0.29 0.00 0.00 0.00 174.94 175.18 3g4s n LYS 6 N 5.17 0.26 -3.52 2.79 5.02 -1.21 -4.97 118.16 121.69 3g4s n LYS 6 Ca 0.11 0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 56.42 3g4s n LYS 6 Cb 0.46 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 3g4s n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3g4s s HIS 7 N -1.89 -0.54 0.34 2.13 -3.43 -1.23 -5.06 115.29 105.61 3g4s s HIS 7 Ca -0.13 0.68 -0.27 0.00 -0.80 0.00 0.00 55.06 54.54 3g4s s HIS 7 Cb 0.02 0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 3g4s s HIS 7 CO 0.19 -0.68 1.04 -2.14 -2.00 0.00 0.00 174.74 171.15 3g4s s PRO 8 N -2.29 4.43 -0.51 -0.38 0.02 -1.26 -1.45 135.00 133.56 3g4s s PRO 8 Ca -0.06 1.57 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 3g4s s PRO 8 Cb -0.01 -2.85 0.04 0.00 0.02 0.00 0.00 34.50 31.71 3g4s s PRO 8 CO -0.00 0.09 0.82 -1.58 -0.33 0.00 0.00 177.00 176.00 3g4s s HIS 9 N -1.46 2.92 -0.70 6.54 2.46 -0.37 -4.80 115.29 119.88 3g4s s HIS 9 Ca 0.51 -0.06 0.01 0.00 0.47 0.00 0.00 55.06 55.99 3g4s s HIS 9 Cb -0.25 -3.81 0.17 0.00 -0.13 0.00 0.00 32.58 28.56 3g4s s HIS 9 CO 0.32 -1.16 0.50 0.54 -2.47 0.00 0.00 174.74 172.47 3g4s s VAL 10 N 3.44 3.38 0.47 0.89 0.11 -1.26 -4.61 120.40 122.81 3g4s s VAL 10 Ca 0.27 -3.69 0.04 0.00 -2.93 0.00 0.00 61.98 55.67 3g4s s VAL 10 Cb -0.14 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3g4s s VAL 10 CO 0.19 -0.95 0.01 0.42 -3.33 0.00 0.00 175.10 171.43 3g4s s THR 11 N -0.88 1.54 0.45 5.04 -4.23 -1.26 -5.00 115.64 111.29 3g4s s THR 11 Ca 0.22 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 3g4s s THR 11 Cb -0.13 -2.53 0.20 0.00 1.34 0.00 0.00 72.50 71.38 3g4s s THR 11 CO -0.09 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 175.68 3g4s h GLU 12 N 1.53 0.09 0.00 3.99 5.08 -2.00 -0.88 114.58 122.38 3g4s h GLU 12 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3g4s h GLU 12 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3g4s h GLU 12 CO 0.77 0.19 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.43 3g4s h LYS 13 N 0.09 0.00 -0.00 2.33 3.64 -1.98 -2.93 116.57 117.71 3g4s h LYS 13 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3g4s h LYS 13 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3g4s h LYS 13 CO 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.16 3g4s n ALA 14 N -2.01 2.49 -0.10 5.00 0.00 -0.36 -2.95 120.51 122.58 3g4s n ALA 14 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3g4s n ALA 14 Cb 0.50 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3g4s n ALA 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3g4s n MET 15 N -1.36 0.67 0.06 0.00 2.81 -1.07 -3.49 117.12 114.75 3g4s n MET 15 Ca 0.11 0.12 0.07 0.00 -1.81 0.00 0.00 57.70 56.18 3g4s n MET 15 Cb 0.29 -1.55 0.32 0.00 -0.71 0.00 0.00 33.22 31.56 3g4s n MET 15 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3g4s n ASN 16 N -3.10 0.27 -0.03 7.83 3.02 -1.12 -0.59 115.26 121.54 3g4s n ASN 16 Ca -0.39 0.60 -0.00 0.00 -0.03 0.00 0.00 54.58 54.76 3g4s n ASN 16 Cb 1.05 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 3g4s n ASN 16 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g4s n ASP 17 N -1.83 2.04 -0.03 6.41 9.92 -1.18 -4.03 116.55 127.86 3g4s n ASP 17 Ca 0.01 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.12 3g4s n ASP 17 Cb 0.10 1.17 -0.12 0.00 -0.64 0.00 0.00 41.12 41.63 3g4s n ASP 17 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 3g4s h MET 18 N 0.00 0.12 0.31 -1.24 4.05 -1.11 0.25 114.93 117.31 3g4s h MET 18 Ca -0.17 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 3g4s h MET 18 Cb 1.20 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3g4s h MET 18 CO 0.01 0.91 -0.15 -0.44 0.23 0.00 0.00 176.91 177.47 3g4s h ASP 19 N -0.62 -0.35 0.11 1.39 3.32 -1.11 -3.16 116.42 116.01 3g4s h ASP 19 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3g4s h ASP 19 Cb 0.98 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3g4s h ASP 19 CO 0.04 0.10 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.34 3g4s h PHE 20 N -1.11 -0.14 -0.19 4.55 0.05 -1.75 -3.38 116.94 114.96 3g4s h PHE 20 Ca -0.04 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.74 3g4s h PHE 20 Cb 0.33 0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.32 3g4s h PHE 20 CO 0.00 0.32 0.00 1.04 -0.18 0.00 0.00 178.31 179.49 3g4s n GLN 21 N -4.92 1.98 -3.38 1.51 6.02 -1.11 -5.02 117.38 112.46 3g4s n GLN 21 Ca -0.08 -1.88 -0.19 0.00 -0.01 0.00 0.00 57.00 54.84 3g4s n GLN 21 Cb 0.27 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.20 3g4s n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3g4s n ASN 22 N 1.12 -5.35 -4.03 1.08 5.15 -0.10 -4.88 115.26 108.25 3g4s n ASN 22 Ca 0.14 -0.76 -0.23 0.00 -0.60 0.00 0.00 54.58 53.13 3g4s n ASN 22 Cb 0.50 -4.80 -0.16 0.00 -0.53 0.00 0.00 39.78 34.79 3g4s n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3g4s s LYS 23 N -4.92 1.38 -0.20 1.20 1.02 0.68 -2.59 119.74 116.31 3g4s s LYS 23 Ca 0.36 -0.40 -0.07 0.00 0.02 0.00 0.00 55.97 55.88 3g4s s LYS 23 Cb -0.07 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 3g4s s LYS 23 CO 0.76 0.11 0.05 -0.51 -0.92 0.00 0.00 175.35 174.84 3g4s s LEU 24 N 0.34 3.63 -0.18 3.17 1.43 0.81 -3.22 118.68 124.66 3g4s s LEU 24 Ca -0.07 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3g4s s LEU 24 Cb -0.12 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3g4s s LEU 24 CO 0.02 0.12 0.07 -1.10 0.23 0.00 0.00 176.35 175.69 3g4s s GLN 25 N 0.69 4.00 0.13 1.70 -0.21 -1.26 -1.00 119.66 123.70 3g4s s GLN 25 Ca 0.02 -0.32 0.06 0.00 0.02 0.00 0.00 55.36 55.14 3g4s s GLN 25 Cb -0.13 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 3g4s s GLN 25 CO 0.02 0.29 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.29 3g4s s PHE 26 N 0.33 1.37 -0.45 0.91 0.40 -0.43 -1.24 117.98 118.88 3g4s s PHE 26 Ca 0.04 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3g4s s PHE 26 Cb -0.12 -0.71 0.12 0.00 0.51 0.00 0.00 43.02 42.81 3g4s s PHE 26 CO -0.00 0.14 0.27 0.00 0.70 0.00 0.00 175.22 176.32 3g4s s ALA 27 N -2.30 3.26 0.62 5.36 0.00 -0.53 -0.28 121.76 127.89 3g4s s ALA 27 Ca 0.10 -2.60 0.03 0.00 0.00 0.00 0.00 51.96 49.49 3g4s s ALA 27 Cb -0.04 -2.56 0.09 0.00 0.00 0.00 0.00 23.12 20.60 3g4s s ALA 27 CO 0.03 -1.86 0.86 0.14 0.00 0.00 0.00 175.76 174.93 3g4s s VAL 28 N 1.11 2.33 -0.00 0.00 -7.23 0.84 -3.32 120.40 114.13 3g4s s VAL 28 Ca 0.08 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 3g4s s VAL 28 Cb -0.24 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 3g4s s VAL 28 CO -0.03 0.00 1.09 -0.62 -0.31 0.00 0.00 175.10 175.22 3g4s s ASP 29 N -4.62 7.21 0.12 4.85 2.15 -0.85 -2.59 116.67 122.95 3g4s s ASP 29 Ca 0.62 1.78 0.06 0.00 0.43 0.00 0.00 52.55 55.44 3g4s s ASP 29 Cb -0.07 -2.57 0.32 0.00 -0.30 0.00 0.00 42.92 40.30 3g4s s ASP 29 CO 0.41 -0.40 1.06 -0.90 -0.17 0.00 0.00 175.17 175.17 3g4s n ASP 30 N 4.24 0.15 -0.68 -0.34 5.75 -1.26 -1.22 116.55 123.19 3g4s n ASP 30 Ca 0.08 0.45 0.13 0.00 -0.01 0.00 0.00 54.79 55.44 3g4s n ASP 30 Cb 0.49 -0.45 0.36 0.00 -1.03 0.00 0.00 41.12 40.49 3g4s n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3g4s n ARG 31 N -1.64 1.93 -3.34 0.11 1.74 -1.26 -4.92 116.66 109.27 3g4s n ARG 31 Ca -0.00 -1.36 -0.38 0.00 -0.77 0.00 0.00 57.85 55.33 3g4s n ARG 31 Cb 0.18 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3g4s n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g4s s ALA 32 N -1.92 3.62 0.47 7.54 0.00 -0.36 -5.10 121.76 126.01 3g4s s ALA 32 Ca 0.34 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3g4s s ALA 32 Cb 0.20 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3g4s s ALA 32 CO 0.31 0.42 0.67 -1.54 0.00 0.00 0.00 175.76 175.63 3g4s s SER 33 N -1.10 5.62 0.46 0.00 1.04 -1.26 -4.91 113.70 113.56 3g4s s SER 33 Ca 0.27 0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.87 3g4s s SER 33 Cb -0.19 -1.16 1.05 0.00 0.10 0.00 0.00 66.02 65.83 3g4s s SER 33 CO 0.17 -0.84 2.07 0.11 0.98 0.00 0.00 173.24 175.73 3g4s h LYS 34 N 0.36 0.31 0.00 4.02 1.57 -1.99 0.11 116.57 120.96 3g4s h LYS 34 Ca -0.44 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3g4s h LYS 34 Cb 1.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3g4s h LYS 34 CO 0.53 0.21 -0.48 0.78 -0.57 0.00 0.00 179.45 179.92 3g4s h GLY 35 N 0.32 0.00 1.50 3.86 0.00 -1.97 -2.22 103.07 104.57 3g4s h GLY 35 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.21 3g4s h GLY 35 CO -0.03 0.00 -1.34 0.83 0.00 0.00 0.00 176.54 176.00 3g4s h GLU 36 N 0.00 0.01 -0.12 4.80 5.08 -1.54 -3.03 114.58 119.78 3g4s h GLU 36 Ca -0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 3g4s h GLU 36 Cb 1.29 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.56 3g4s h GLU 36 CO 0.06 0.78 -0.80 0.28 -1.00 0.00 0.00 179.01 178.34 3g4s h VAL 37 N 0.00 1.30 0.77 3.13 2.07 -0.88 -2.82 116.25 119.84 3g4s h VAL 37 Ca -0.15 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.29 3g4s h VAL 37 Cb 1.89 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.72 3g4s h VAL 37 CO 0.11 0.64 -0.45 0.00 0.02 0.00 0.00 177.57 177.89 3g4s h ALA 38 N 0.64 -1.18 -0.99 1.67 0.00 -1.47 -1.97 119.26 115.95 3g4s h ALA 38 Ca -0.06 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3g4s h ALA 38 Cb 1.42 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 3g4s h ALA 38 CO 0.16 -1.17 0.64 -0.44 0.00 0.00 0.00 179.25 178.43 3g4s h ASP 39 N -1.14 1.03 -0.78 0.00 3.32 -1.63 -2.47 116.42 114.75 3g4s h ASP 39 Ca -0.10 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3g4s h ASP 39 Cb 0.91 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3g4s h ASP 39 CO 0.12 0.67 0.33 0.00 -1.72 0.00 0.00 179.24 178.64 3g4s h ALA 40 N 1.44 1.02 -0.24 3.45 0.00 -1.36 -1.73 119.26 121.84 3g4s h ALA 40 Ca 0.42 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3g4s h ALA 40 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3g4s h ALA 40 CO -0.16 0.63 -0.36 0.28 0.00 0.00 0.00 179.25 179.63 3g4s h VAL 41 N 1.13 1.29 -0.27 0.00 2.07 -0.90 -3.08 116.25 116.49 3g4s h VAL 41 Ca 0.26 -1.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.14 3g4s h VAL 41 Cb 0.19 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3g4s h VAL 41 CO -0.02 0.47 -0.43 -0.33 0.02 0.00 0.00 177.57 177.27 3g4s h GLU 42 N 0.45 0.76 0.00 1.57 5.08 -1.22 -2.50 114.58 118.72 3g4s h GLU 42 Ca 0.05 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3g4s h GLU 42 Cb 0.84 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3g4s h GLU 42 CO 0.07 1.09 0.00 0.39 -1.00 0.00 0.00 179.01 179.56 3g4s n GLU 43 N -4.15 0.82 0.00 2.33 1.02 -0.68 -1.35 120.64 118.63 3g4s n GLU 43 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3g4s n GLU 43 Cb 0.56 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 3g4s n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3g4s n GLN 44 N -0.91 2.03 0.00 3.49 1.13 -1.17 -4.84 117.38 117.11 3g4s n GLN 44 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 3g4s n GLN 44 Cb 0.07 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3g4s n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3g4s n TYR 45 N -1.75 0.00 -3.60 1.08 4.02 -0.95 -5.04 117.16 110.91 3g4s n TYR 45 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 3g4s n TYR 45 Cb 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 3g4s n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3g4s n ASP 46 N -0.25 -2.85 -4.62 7.72 -0.08 -0.46 -5.02 116.55 111.00 3g4s n ASP 46 Ca 0.00 -0.69 -0.29 0.00 -1.51 0.00 0.00 54.79 52.31 3g4s n ASP 46 Cb 0.02 -4.63 -0.04 0.00 2.34 0.00 0.00 41.12 38.81 3g4s n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3g4s n VAL 47 N -4.40 0.00 -3.86 5.18 0.24 -1.25 -5.09 118.33 109.15 3g4s n VAL 47 Ca -0.20 -2.20 -0.30 0.00 -2.04 0.00 0.00 64.34 59.60 3g4s n VAL 47 Cb 0.64 0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 33.10 3g4s n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3g4s s THR 48 N -2.69 1.23 -0.08 3.34 2.01 -1.26 -4.71 115.64 113.49 3g4s s THR 48 Ca 0.12 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 3g4s s THR 48 Cb -0.01 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3g4s s THR 48 CO 0.08 -0.25 0.67 -0.69 -0.69 0.00 0.00 174.62 173.74 3g4s s VAL 49 N 1.51 5.07 -0.25 3.82 1.01 -1.26 -1.82 120.40 128.48 3g4s s VAL 49 Ca -0.01 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 3g4s s VAL 49 Cb -0.18 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 3g4s s VAL 49 CO -0.10 0.26 -0.25 -0.62 0.00 0.00 0.00 175.10 174.39 3g4s n GLU 50 N 3.79 0.60 -3.96 2.72 -0.58 -0.51 -4.97 120.64 117.74 3g4s n GLU 50 Ca -0.02 0.17 -0.09 0.00 -0.42 0.00 0.00 57.16 56.80 3g4s n GLU 50 Cb 0.51 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.80 3g4s n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3g4s s GLN 51 N -2.49 0.31 -0.06 3.49 0.74 -1.20 -5.03 119.66 115.42 3g4s s GLN 51 Ca -0.34 -0.55 -0.00 0.00 0.05 0.00 0.00 55.36 54.51 3g4s s GLN 51 Cb 0.10 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.35 3g4s s GLN 51 CO 0.54 -0.05 -0.02 0.08 -0.55 0.00 0.00 175.29 175.28 3g4s s VAL 52 N -1.37 0.43 -0.15 1.34 1.01 -1.26 -0.51 120.40 119.89 3g4s s VAL 52 Ca -0.15 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3g4s s VAL 52 Cb -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3g4s s VAL 52 CO -0.01 0.23 -0.19 0.20 0.00 0.00 0.00 175.10 175.34 3g4s s ASN 53 N 1.40 2.95 0.24 3.32 0.02 0.24 -4.96 114.94 118.16 3g4s s ASN 53 Ca -0.04 -0.57 0.07 0.00 -1.02 0.00 0.00 52.86 51.30 3g4s s ASN 53 Cb -0.13 -1.36 -0.04 0.00 0.02 0.00 0.00 41.25 39.74 3g4s s ASN 53 CO -0.03 0.01 0.17 0.42 0.02 0.00 0.00 177.10 177.70 3g4s s THR 54 N 1.15 4.36 -0.18 1.60 -4.23 -1.26 -0.50 115.64 116.57 3g4s s THR 54 Ca -0.00 -1.42 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 3g4s s THR 54 Cb -0.14 -3.34 0.05 0.00 1.34 0.00 0.00 72.50 70.41 3g4s s THR 54 CO -0.08 -0.33 0.53 -1.58 -0.54 0.00 0.00 174.62 172.62 3g4s s GLN 55 N -3.75 0.65 -0.69 3.99 0.74 -0.73 -5.02 119.66 114.85 3g4s s GLN 55 Ca 0.32 0.67 -0.16 0.00 0.05 0.00 0.00 55.36 56.25 3g4s s GLN 55 Cb -0.08 0.31 0.16 0.00 1.10 0.00 0.00 33.01 34.51 3g4s s GLN 55 CO 0.24 -0.09 0.68 -0.80 -0.55 0.00 0.00 175.29 174.77 3g4s s ASN 56 N 0.13 6.46 1.01 6.67 0.01 -1.26 -0.26 114.94 127.70 3g4s s ASN 56 Ca -0.01 -2.13 -0.14 0.00 -0.71 0.00 0.00 52.86 49.87 3g4s s ASN 56 Cb -0.04 -2.24 0.10 0.00 0.41 0.00 0.00 41.25 39.49 3g4s s ASN 56 CO 0.01 -0.79 0.50 0.41 -1.51 0.00 0.00 177.10 175.73 3g4s n THR 57 N 4.78 0.00 0.70 1.60 -1.04 -0.59 -4.88 114.28 114.84 3g4s n THR 57 Ca 0.01 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 3g4s n THR 57 Cb 0.44 -0.72 0.05 0.00 -1.82 0.00 0.00 70.33 68.27 3g4s n THR 57 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3g4s n MET 58 N -2.60 1.45 -0.00 -2.82 2.81 -1.26 -2.61 117.12 112.09 3g4s n MET 58 Ca 0.06 -0.47 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 3g4s n MET 58 Cb 0.55 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3g4s n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3g4s n ASP 59 N 0.15 1.43 0.00 7.83 8.00 -1.26 -4.99 116.55 127.71 3g4s n ASP 59 Ca 0.06 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3g4s n ASP 59 Cb 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3g4s n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g4s n GLY 60 N -0.15 2.75 3.92 0.44 0.00 -1.07 -5.01 105.19 106.07 3g4s n GLY 60 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3g4s n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 61 N -0.19 3.03 -0.19 1.61 2.02 -1.26 -4.78 118.70 118.94 3g4s s GLU 61 Ca 0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 3g4s s GLU 61 Cb 0.00 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 3g4s s GLU 61 CO 0.00 -0.53 0.01 0.21 0.02 0.00 0.00 175.26 174.96 3g4s s LYS 62 N -4.85 3.68 -0.23 1.61 2.20 -1.07 -1.54 119.74 119.54 3g4s s LYS 62 Ca 0.52 -0.49 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 3g4s s LYS 62 Cb -0.10 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3g4s s LYS 62 CO 0.43 0.08 0.38 0.21 -0.36 0.00 0.00 175.35 176.09 3g4s s LYS 63 N 0.84 4.11 -0.19 4.03 2.20 0.64 -0.11 119.74 131.27 3g4s s LYS 63 Ca 0.01 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 3g4s s LYS 63 Cb -0.14 -3.58 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3g4s s LYS 63 CO 0.02 -0.12 -0.10 0.00 -0.36 0.00 0.00 175.35 174.79 3g4s s ALA 64 N 1.58 2.66 -0.44 3.13 0.00 0.62 -1.77 121.76 127.54 3g4s s ALA 64 Ca 0.17 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3g4s s ALA 64 Cb -0.15 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.58 3g4s s ALA 64 CO 0.08 -0.23 0.33 0.08 0.00 0.00 0.00 175.76 176.02 3g4s s VAL 65 N 1.13 4.87 -0.28 0.00 1.01 0.34 -1.31 120.40 126.16 3g4s s VAL 65 Ca 0.01 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 3g4s s VAL 65 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3g4s s VAL 65 CO -0.03 -0.51 0.15 -0.69 0.00 0.00 0.00 175.10 174.03 3g4s s VAL 66 N 1.57 4.87 -0.15 2.92 1.01 -0.17 -0.59 120.40 129.87 3g4s s VAL 66 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 3g4s s VAL 66 Cb -0.23 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3g4s s VAL 66 CO 0.05 0.22 0.40 -0.60 0.00 0.00 0.00 175.10 175.18 3g4s s ARG 67 N 1.69 4.28 0.65 2.72 3.52 0.33 -0.13 118.95 132.00 3g4s s ARG 67 Ca 0.06 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 3g4s s ARG 67 Cb -0.16 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3g4s s ARG 67 CO 0.08 0.15 0.90 -0.51 -0.81 0.00 0.00 175.30 175.10 3g4s s LEU 68 N 0.71 3.09 0.46 -0.88 1.43 -1.07 -1.42 118.68 121.00 3g4s s LEU 68 Ca 0.22 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3g4s s LEU 68 Cb -0.14 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3g4s s LEU 68 CO 0.08 -1.56 0.66 -0.94 0.23 0.00 0.00 176.35 174.82 3g4s s SER 69 N -4.62 5.66 0.53 2.29 1.04 -0.75 -4.63 113.70 113.21 3g4s s SER 69 Ca 0.63 0.05 0.21 0.00 0.48 0.00 0.00 55.95 57.32 3g4s s SER 69 Cb -0.07 -1.20 1.35 0.00 0.10 0.00 0.00 66.02 66.21 3g4s s SER 69 CO 0.42 -0.80 2.08 -0.33 0.98 0.00 0.00 173.24 175.59 3g4s h GLU 70 N 0.40 0.00 0.00 4.02 5.08 -1.99 -2.48 114.58 119.61 3g4s h GLU 70 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3g4s h GLU 70 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3g4s h GLU 70 CO 0.54 0.00 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.96 3g4s h ASP 71 N 0.00 0.00 -3.71 1.42 3.32 -1.97 -3.42 116.42 112.06 3g4s h ASP 71 Ca 0.12 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.49 3g4s h ASP 71 Cb 0.48 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.85 3g4s h ASP 71 CO -0.00 0.15 -0.74 -1.81 -1.72 0.00 0.00 179.24 175.11 3g4s s ASP 72 N -6.13 4.31 -0.13 6.45 1.01 -0.93 -5.11 116.67 116.13 3g4s s ASP 72 Ca -0.02 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.98 3g4s s ASP 72 Cb 0.12 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.18 3g4s s ASP 72 CO 0.60 0.25 -0.21 -0.62 0.21 0.00 0.00 175.17 175.40 3g4s s ASP 73 N -1.62 3.25 0.23 0.27 3.68 -1.26 -4.61 116.67 116.61 3g4s s ASP 73 Ca 0.17 -0.56 -0.07 0.00 2.13 0.00 0.00 52.55 54.23 3g4s s ASP 73 Cb -0.11 -1.47 0.21 0.00 -1.45 0.00 0.00 42.92 40.11 3g4s s ASP 73 CO 0.08 0.10 1.86 0.00 0.13 0.00 0.00 175.17 177.35 3g4s h ALA 74 N 7.17 1.17 -0.21 3.66 0.00 -1.89 -2.52 119.26 126.64 3g4s h ALA 74 Ca -0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3g4s h ALA 74 Cb 1.20 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g4s h ALA 74 CO 0.54 0.66 -0.08 1.96 0.00 0.00 0.00 179.25 182.33 3g4s h GLN 75 N 1.27 0.33 0.00 0.00 4.20 -1.96 -2.43 115.11 116.52 3g4s h GLN 75 Ca 0.32 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 3g4s h GLN 75 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3g4s h GLN 75 CO -0.05 0.42 -0.20 0.93 -0.67 0.00 0.00 178.83 179.26 3g4s h GLU 76 N 0.32 0.00 0.22 1.46 5.08 -1.88 -3.29 114.58 116.48 3g4s h GLU 76 Ca 0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.10 3g4s h GLU 76 Cb 0.34 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.62 3g4s h GLU 76 CO 0.02 0.20 -1.54 0.28 -1.00 0.00 0.00 179.01 176.97 3g4s h VAL 77 N 0.00 1.15 0.00 3.13 2.07 -1.08 -3.33 116.25 118.20 3g4s h VAL 77 Ca -0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 3g4s h VAL 77 Cb 1.07 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 3g4s h VAL 77 CO 0.03 0.82 0.00 0.00 0.02 0.00 0.00 177.57 178.43 3g4s n ALA 78 N -2.78 1.82 -0.05 1.67 0.00 -1.01 -3.47 120.51 116.69 3g4s n ALA 78 Ca -0.20 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 3g4s n ALA 78 Cb 1.07 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 3g4s n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g4s h SER 79 N 0.00 -0.02 -0.21 0.00 4.64 -1.67 -3.36 113.55 112.94 3g4s h SER 79 Ca 0.00 -0.69 -0.03 0.00 -0.47 0.00 0.00 61.79 60.60 3g4s h SER 79 Cb 0.13 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3g4s h SER 79 CO 0.00 0.79 0.05 0.08 -0.87 0.00 0.00 176.83 176.88 3g4s h ARG 80 N -0.95 0.42 -0.03 4.77 0.11 -1.76 -3.53 114.38 113.41 3g4s h ARG 80 Ca -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3g4s h ARG 80 Cb 0.71 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.72 3g4s h ARG 80 CO 0.00 0.40 0.00 0.44 0.10 0.00 0.00 179.97 180.92