#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s TRP 2 N 0.00 3.45 -0.04 0.66 1.48 -1.26 -5.08 118.94 118.15 1w2b s TRP 2 Ca 0.00 1.24 -0.00 0.00 -1.06 0.00 0.00 56.10 56.28 1w2b s TRP 2 Cb 0.00 -2.60 -0.04 0.00 -1.16 0.00 0.00 33.47 29.68 1w2b s TRP 2 CO 0.00 -0.18 0.02 -0.51 -4.06 0.00 0.00 176.95 172.22 1w2b s ASP 3 N -2.99 5.31 0.00 -2.66 1.01 -1.26 -5.08 116.67 111.00 1w2b s ASP 3 Ca 0.55 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.90 1w2b s ASP 3 Cb -0.10 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1w2b s ASP 3 CO 0.29 0.32 0.30 0.52 0.21 0.00 0.00 175.17 176.81 1w2b n VAL 4 N 1.66 0.00 -1.65 -1.27 0.31 -1.26 -4.49 118.33 111.63 1w2b n VAL 4 Ca -0.16 0.64 -0.45 0.00 -0.01 0.00 0.00 64.34 64.36 1w2b n VAL 4 Cb 0.53 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.09 1w2b n VAL 4 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1w2b n ILE 5 N -0.43 0.62 -0.05 2.52 5.41 -1.26 -2.75 119.36 123.42 1w2b n ILE 5 Ca 0.00 -0.17 -0.22 0.00 1.00 0.00 0.00 62.75 63.37 1w2b n ILE 5 Cb 0.00 -2.14 -0.13 0.00 -0.71 0.00 0.00 39.64 36.66 1w2b n ILE 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1w2b n LYS 6 N 7.35 0.69 0.00 0.38 5.02 0.03 -4.99 118.16 126.65 1w2b n LYS 6 Ca 0.23 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1w2b n LYS 6 Cb 0.36 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1w2b n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1w2b n HIS 7 N -3.70 0.00 -2.17 2.13 1.44 -1.17 -4.97 115.22 106.78 1w2b n HIS 7 Ca -0.36 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 54.94 1w2b n HIS 7 Cb 0.95 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.03 1w2b n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1w2b s PRO 8 N -2.00 4.37 -0.52 -1.40 0.02 -1.26 -0.26 135.00 133.95 1w2b s PRO 8 Ca 0.00 2.13 -0.17 0.00 0.02 0.00 0.00 61.00 62.97 1w2b s PRO 8 Cb 0.00 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.46 1w2b s PRO 8 CO 0.00 -0.23 0.55 -1.58 -0.33 0.00 0.00 177.00 175.41 1w2b s HIS 9 N -0.33 3.14 -0.41 6.54 2.46 0.36 -4.82 115.29 122.23 1w2b s HIS 9 Ca 0.54 -0.92 -0.11 0.00 0.47 0.00 0.00 55.06 55.05 1w2b s HIS 9 Cb -0.38 -3.61 0.06 0.00 -0.13 0.00 0.00 32.58 28.52 1w2b s HIS 9 CO 0.43 -1.03 0.26 0.54 -2.47 0.00 0.00 174.74 172.47 1w2b s VAL 10 N 2.13 4.48 0.17 0.89 0.11 -1.26 -4.63 120.40 122.28 1w2b s VAL 10 Ca 0.08 -1.17 -0.08 0.00 -2.93 0.00 0.00 61.98 57.89 1w2b s VAL 10 Cb -0.24 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 30.95 1w2b s VAL 10 CO 0.07 -0.42 0.26 0.42 -3.33 0.00 0.00 175.10 172.10 1w2b s THR 11 N 1.50 0.06 0.00 5.04 -4.23 -1.26 -5.01 115.64 111.73 1w2b s THR 11 Ca 0.03 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1w2b s THR 11 Cb -0.22 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1w2b s THR 11 CO 0.04 -0.27 0.96 1.21 -0.54 0.00 0.00 174.62 176.03 1w2b n GLU 12 N -0.22 0.00 -0.42 3.99 2.13 -1.26 -0.04 120.64 124.81 1w2b n GLU 12 Ca -0.06 0.93 0.35 0.00 0.66 0.00 0.00 57.16 59.04 1w2b n GLU 12 Cb 0.63 -1.46 0.63 0.00 0.27 0.00 0.00 31.44 31.51 1w2b n GLU 12 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1w2b h LYS 13 N 0.00 0.09 0.71 5.31 3.64 -1.99 0.76 116.57 125.10 1w2b h LYS 13 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1w2b h LYS 13 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1w2b h LYS 13 CO 0.00 0.06 -0.44 0.00 -2.27 0.00 0.00 179.45 176.81 1w2b h ALA 14 N 1.66 -1.24 -0.07 5.00 0.00 -0.77 -0.53 119.26 123.31 1w2b h ALA 14 Ca 0.82 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.53 1w2b h ALA 14 Cb 2.47 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 20.75 1w2b h ALA 14 CO -0.47 -1.20 -0.51 0.52 0.00 0.00 0.00 179.25 177.59 1w2b h MET 15 N -1.07 -0.58 -1.10 0.00 2.86 -0.12 -0.39 114.93 114.52 1w2b h MET 15 Ca -0.10 0.04 0.32 0.00 -2.06 0.00 0.00 59.70 57.91 1w2b h MET 15 Cb 0.86 0.13 -0.12 0.00 0.06 0.00 0.00 31.60 32.53 1w2b h MET 15 CO 0.10 -0.39 0.68 -0.91 1.06 0.00 0.00 176.91 177.45 1w2b h ASN 16 N -0.60 0.44 0.72 1.22 2.35 -1.31 2.09 115.58 120.48 1w2b h ASN 16 Ca 0.03 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1w2b h ASN 16 Cb 0.69 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1w2b h ASN 16 CO -0.39 -0.04 -0.27 0.44 -1.65 0.00 0.00 177.43 175.51 1w2b h ASP 17 N 0.31 0.00 0.00 5.81 5.19 0.54 -1.53 116.42 126.74 1w2b h ASP 17 Ca 0.70 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.11 1w2b h ASP 17 Cb 1.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1w2b h ASP 17 CO -0.43 0.27 -0.07 -0.03 -3.12 0.00 0.00 179.24 175.86 1w2b h MET 18 N 0.00 0.00 -0.16 3.56 1.85 0.41 -0.97 114.93 119.62 1w2b h MET 18 Ca -0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 1w2b h MET 18 Cb 0.70 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.66 1w2b h MET 18 CO 0.03 0.00 -0.50 -0.44 -0.40 0.00 0.00 176.91 175.60 1w2b h ASP 19 N -0.90 -1.59 0.94 1.39 3.32 -0.16 0.14 116.42 119.56 1w2b h ASP 19 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1w2b h ASP 19 Cb 0.07 0.63 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1w2b h ASP 19 CO 0.00 -0.46 -0.68 -0.26 -1.72 0.00 0.00 179.24 176.12 1w2b h PHE 20 N -0.54 0.00 0.00 4.55 0.05 -1.48 -3.40 116.94 116.12 1w2b h PHE 20 Ca 0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1w2b h PHE 20 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.61 1w2b h PHE 20 CO -0.56 0.00 0.00 1.04 -0.18 0.00 0.00 178.31 178.61 1w2b n GLN 21 N -2.27 2.88 -2.81 1.51 6.02 -1.01 -5.03 117.38 116.67 1w2b n GLN 21 Ca 0.03 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 56.79 1w2b n GLN 21 Cb 0.47 -0.45 0.03 0.00 1.02 0.00 0.00 30.24 31.31 1w2b n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1w2b n ASN 22 N -0.44 -4.39 -4.62 1.08 5.15 0.49 -4.85 115.26 107.68 1w2b n ASN 22 Ca 0.00 -0.20 -0.28 0.00 -0.60 0.00 0.00 54.58 53.49 1w2b n ASN 22 Cb 0.03 -3.21 -0.09 0.00 -0.53 0.00 0.00 39.78 35.98 1w2b n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1w2b s LYS 23 N -5.35 2.26 -0.09 1.20 1.02 -0.45 -2.06 119.74 116.28 1w2b s LYS 23 Ca 0.22 -1.07 0.03 0.00 0.02 0.00 0.00 55.97 55.17 1w2b s LYS 23 Cb -0.10 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1w2b s LYS 23 CO 0.27 0.48 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.48 1w2b s LEU 24 N -2.59 1.90 -0.23 3.17 1.43 0.24 -3.17 118.68 119.43 1w2b s LEU 24 Ca 0.25 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1w2b s LEU 24 Cb -0.10 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1w2b s LEU 24 CO 0.16 0.10 0.14 -1.10 0.23 0.00 0.00 176.35 175.89 1w2b s GLN 25 N 0.49 4.03 0.33 1.70 -0.21 -1.26 -0.96 119.66 123.77 1w2b s GLN 25 Ca -0.17 -0.30 0.06 0.00 0.02 0.00 0.00 55.36 54.97 1w2b s GLN 25 Cb -0.17 -3.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.29 1w2b s GLN 25 CO 0.07 0.06 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.24 1w2b s PHE 26 N 1.04 2.10 -0.24 0.91 0.40 -0.57 0.14 117.98 121.75 1w2b s PHE 26 Ca 0.07 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 1w2b s PHE 26 Cb -0.14 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 1w2b s PHE 26 CO 0.04 0.23 0.00 0.00 0.70 0.00 0.00 175.22 176.19 1w2b s ALA 27 N -3.04 2.93 0.42 5.36 0.00 0.64 -1.51 121.76 126.56 1w2b s ALA 27 Ca 0.34 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 51.12 1w2b s ALA 27 Cb 0.07 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 1w2b s ALA 27 CO 0.15 -0.58 0.14 0.14 0.00 0.00 0.00 175.76 175.61 1w2b s VAL 28 N 1.50 2.19 -0.26 0.00 -7.23 0.14 -0.79 120.40 115.95 1w2b s VAL 28 Ca 0.05 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1w2b s VAL 28 Cb -0.15 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1w2b s VAL 28 CO -0.01 0.00 1.19 -0.62 -0.31 0.00 0.00 175.10 175.36 1w2b s ASP 29 N -3.87 6.87 0.53 4.85 -1.08 -1.11 -2.42 116.67 120.45 1w2b s ASP 29 Ca 0.39 1.32 0.04 0.00 -0.52 0.00 0.00 52.55 53.77 1w2b s ASP 29 Cb 0.05 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.20 1w2b s ASP 29 CO 0.21 -0.88 1.04 -2.24 0.52 0.00 0.00 175.17 173.81 1w2b h ASP 30 N 8.42 0.00 0.23 -0.34 2.03 -1.90 0.44 116.42 125.30 1w2b h ASP 30 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1w2b h ASP 30 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1w2b h ASP 30 CO 1.01 0.00 -0.07 0.54 -1.03 0.00 0.00 179.24 179.69 1w2b n ARG 31 N -2.26 0.90 -2.71 4.15 1.74 -1.26 -4.82 116.66 112.40 1w2b n ARG 31 Ca -0.00 -0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.35 1w2b n ARG 31 Cb 0.80 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 1w2b n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2b s ALA 32 N -2.31 3.58 0.70 7.54 0.00 0.15 -5.05 121.76 126.38 1w2b s ALA 32 Ca 0.34 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1w2b s ALA 32 Cb 0.21 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1w2b s ALA 32 CO 0.43 -0.86 1.07 -1.54 0.00 0.00 0.00 175.76 174.87 1w2b s SER 33 N 1.17 5.43 0.20 0.00 1.04 -1.26 -4.81 113.70 115.48 1w2b s SER 33 Ca 0.44 1.32 -0.10 0.00 0.48 0.00 0.00 55.95 58.09 1w2b s SER 33 Cb -0.16 -2.18 0.26 0.00 0.10 0.00 0.00 66.02 64.04 1w2b s SER 33 CO 0.10 -1.37 1.73 0.11 0.98 0.00 0.00 173.24 174.79 1w2b h LYS 34 N -0.67 0.31 0.20 4.02 1.57 -1.96 0.21 116.57 120.24 1w2b h LYS 34 Ca -0.45 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1w2b h LYS 34 Cb 1.23 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1w2b h LYS 34 CO 0.61 0.21 -0.31 0.78 -0.57 0.00 0.00 179.45 180.17 1w2b h GLY 35 N 0.32 -0.64 0.46 3.86 0.00 -1.94 0.04 103.07 105.17 1w2b h GLY 35 Ca 0.29 0.36 0.15 0.00 0.00 0.00 0.00 47.33 48.13 1w2b h GLY 35 CO -0.34 -0.25 0.59 0.83 0.00 0.00 0.00 176.54 177.37 1w2b h GLU 36 N -0.58 0.71 -0.42 4.80 5.08 -1.74 0.22 114.58 122.65 1w2b h GLU 36 Ca 0.01 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1w2b h GLU 36 Cb 0.57 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1w2b h GLU 36 CO -0.13 0.47 0.19 0.28 -1.00 0.00 0.00 179.01 178.82 1w2b h VAL 37 N 0.73 0.94 0.00 3.13 2.07 0.71 -2.63 116.25 121.20 1w2b h VAL 37 Ca 0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1w2b h VAL 37 Cb 0.73 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1w2b h VAL 37 CO -0.23 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.43 1w2b n ALA 38 N -2.32 -0.15 -0.23 1.67 0.00 0.73 -2.19 120.51 118.03 1w2b n ALA 38 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1w2b n ALA 38 Cb 0.12 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.64 1w2b n ALA 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1w2b n ASP 39 N -0.96 -0.28 0.00 0.00 8.00 -0.88 0.14 116.55 122.57 1w2b n ASP 39 Ca 0.00 1.07 -0.09 0.00 0.71 0.00 0.00 54.79 56.48 1w2b n ASP 39 Cb 0.00 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1w2b n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w2b h ALA 40 N 1.12 -0.05 -0.36 2.24 0.00 -1.49 0.58 119.26 121.30 1w2b h ALA 40 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1w2b h ALA 40 Cb 0.43 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1w2b h ALA 40 CO -0.63 -0.58 0.20 0.28 0.00 0.00 0.00 179.25 178.51 1w2b h VAL 41 N -0.16 1.12 -0.22 0.00 2.07 0.17 -0.43 116.25 118.79 1w2b h VAL 41 Ca 0.08 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 1w2b h VAL 41 Cb 0.28 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1w2b h VAL 41 CO -0.21 0.13 -0.53 -0.33 0.02 0.00 0.00 177.57 176.65 1w2b h GLU 42 N 0.50 0.75 -0.20 1.57 5.08 -0.37 -2.67 114.58 119.24 1w2b h GLU 42 Ca 0.13 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 1w2b h GLU 42 Cb 0.02 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1w2b h GLU 42 CO -0.02 1.13 -0.52 0.93 -1.00 0.00 0.00 179.01 179.53 1w2b h GLU 43 N 0.48 0.57 0.01 2.33 5.08 -0.41 -0.24 114.58 122.39 1w2b h GLU 43 Ca -0.00 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.81 1w2b h GLU 43 Cb 1.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1w2b h GLU 43 CO 0.12 0.95 -0.91 1.96 -1.00 0.00 0.00 179.01 180.12 1w2b h GLN 44 N 0.44 0.22 -0.00 2.33 1.08 -1.15 -3.38 115.11 114.64 1w2b h GLN 44 Ca 0.01 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1w2b h GLN 44 Cb 1.06 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1w2b h GLN 44 CO 0.10 0.99 -0.16 0.66 -0.95 0.00 0.00 178.83 179.46 1w2b n TYR 45 N -3.65 0.00 -2.73 2.96 4.02 -1.01 -5.05 117.16 111.71 1w2b n TYR 45 Ca -0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 1w2b n TYR 45 Cb 0.83 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.18 1w2b n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1w2b n ASP 46 N -0.39 -5.82 -3.95 7.72 -0.08 -0.10 -5.06 116.55 108.87 1w2b n ASP 46 Ca 0.03 -0.32 -0.10 0.00 -1.51 0.00 0.00 54.79 52.89 1w2b n ASP 46 Cb 0.14 -4.08 -0.07 0.00 2.34 0.00 0.00 41.12 39.46 1w2b n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1w2b s VAL 47 N -3.16 0.06 -0.34 5.18 -7.23 -1.22 -5.09 120.40 108.60 1w2b s VAL 47 Ca 0.19 -1.36 -0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1w2b s VAL 47 Cb -0.02 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.11 1w2b s VAL 47 CO 0.55 -0.29 0.16 -0.89 -0.31 0.00 0.00 175.10 174.31 1w2b s THR 48 N -3.96 4.39 -0.31 5.32 2.01 -1.26 -4.56 115.64 117.27 1w2b s THR 48 Ca 0.17 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 1w2b s THR 48 Cb 0.03 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1w2b s THR 48 CO -0.00 -0.08 0.64 -0.69 -0.69 0.00 0.00 174.62 173.79 1w2b s VAL 49 N 1.55 4.92 -0.02 3.82 1.01 -1.26 -2.32 120.40 128.09 1w2b s VAL 49 Ca 0.02 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1w2b s VAL 49 Cb -0.18 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1w2b s VAL 49 CO 0.05 -0.17 0.11 -0.33 0.00 0.00 0.00 175.10 174.76 1w2b h GLU 50 N 8.22 -0.04 -6.05 2.72 4.39 -1.65 -3.48 114.58 118.69 1w2b h GLU 50 Ca -0.27 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.88 1w2b h GLU 50 Cb 1.12 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.53 1w2b h GLU 50 CO 0.81 -0.02 -0.83 -1.14 -1.16 0.00 0.00 179.01 176.66 1w2b s GLN 51 N -1.41 1.26 -0.09 2.33 0.74 -1.22 -5.01 119.66 116.26 1w2b s GLN 51 Ca -0.01 -1.00 -0.00 0.00 0.05 0.00 0.00 55.36 54.40 1w2b s GLN 51 Cb 0.00 -1.42 0.02 0.00 1.10 0.00 0.00 33.01 32.72 1w2b s GLN 51 CO 0.02 0.35 -0.05 0.08 -0.55 0.00 0.00 175.29 175.13 1w2b s VAL 52 N -0.93 0.81 -0.10 1.34 1.01 -1.26 -0.39 120.40 120.88 1w2b s VAL 52 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1w2b s VAL 52 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1w2b s VAL 52 CO 0.03 0.33 -0.07 0.20 0.00 0.00 0.00 175.10 175.58 1w2b s ASN 53 N 1.66 4.55 0.05 3.32 0.01 -0.22 -4.94 114.94 119.36 1w2b s ASN 53 Ca 0.03 -0.11 0.08 0.00 -0.71 0.00 0.00 52.86 52.14 1w2b s ASN 53 Cb -0.13 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.12 1w2b s ASN 53 CO -0.06 0.28 -0.22 0.42 -1.51 0.00 0.00 177.10 176.01 1w2b s THR 54 N -0.30 1.74 -0.02 1.60 -4.23 -1.26 0.55 115.64 113.72 1w2b s THR 54 Ca 0.04 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1w2b s THR 54 Cb -0.13 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.22 1w2b s THR 54 CO 0.02 0.21 0.03 -1.58 -0.54 0.00 0.00 174.62 172.77 1w2b s GLN 55 N -1.23 -0.01 -0.67 3.99 0.74 -0.04 -5.00 119.66 117.44 1w2b s GLN 55 Ca 0.08 0.13 -0.21 0.00 0.05 0.00 0.00 55.36 55.42 1w2b s GLN 55 Cb -0.09 -0.14 0.09 0.00 1.10 0.00 0.00 33.01 33.98 1w2b s GLN 55 CO 0.02 -0.10 0.90 -0.80 -0.55 0.00 0.00 175.29 174.76 1w2b s ASN 56 N 0.64 6.24 0.89 6.67 0.01 -1.26 0.58 114.94 128.71 1w2b s ASN 56 Ca -0.05 -1.31 -0.11 0.00 -0.71 0.00 0.00 52.86 50.68 1w2b s ASN 56 Cb -0.07 -2.37 0.12 0.00 0.41 0.00 0.00 41.25 39.33 1w2b s ASN 56 CO -0.02 -1.27 1.06 0.41 -1.51 0.00 0.00 177.10 175.77 1w2b n THR 57 N 5.71 0.54 1.17 1.60 -1.04 -0.78 -4.85 114.28 116.63 1w2b n THR 57 Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1w2b n THR 57 Cb 0.45 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1w2b n THR 57 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1w2b n MET 58 N -3.63 0.82 0.00 -2.82 2.81 -1.26 -2.58 117.12 110.45 1w2b n MET 58 Ca 0.12 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.09 1w2b n MET 58 Cb 0.52 -1.23 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 1w2b n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1w2b n ASP 59 N -0.17 1.27 0.00 7.83 10.43 -1.26 -4.97 116.55 129.68 1w2b n ASP 59 Ca 0.00 -1.13 0.00 0.00 2.57 0.00 0.00 54.79 56.23 1w2b n ASP 59 Cb 0.12 0.70 0.00 0.00 1.84 0.00 0.00 41.12 43.77 1w2b n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w2b n GLY 60 N 1.26 1.02 3.80 0.44 0.00 -1.07 -5.03 105.19 105.61 1w2b n GLY 60 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1w2b n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2b s GLU 61 N -0.64 2.54 -0.10 1.61 2.02 -1.26 -4.82 118.70 118.05 1w2b s GLU 61 Ca 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 54.97 53.52 1w2b s GLU 61 Cb 0.00 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 1w2b s GLU 61 CO 0.00 0.06 0.01 0.21 0.02 0.00 0.00 175.26 175.56 1w2b s LYS 62 N -3.94 3.09 0.04 1.61 2.20 -1.02 -1.87 119.74 119.86 1w2b s LYS 62 Ca 0.40 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1w2b s LYS 62 Cb -0.04 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 1w2b s LYS 62 CO 0.25 0.65 0.03 0.21 -0.36 0.00 0.00 175.35 176.13 1w2b s LYS 63 N -0.74 2.78 -0.04 4.03 2.20 0.20 0.23 119.74 128.39 1w2b s LYS 63 Ca 0.12 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1w2b s LYS 63 Cb -0.12 -2.67 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 1w2b s LYS 63 CO 0.02 0.59 -0.02 0.00 -0.36 0.00 0.00 175.35 175.58 1w2b s ALA 64 N -1.23 0.57 -0.46 3.13 0.00 -0.57 -0.86 121.76 122.34 1w2b s ALA 64 Ca 0.24 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 1w2b s ALA 64 Cb -0.12 -0.44 0.11 0.00 0.00 0.00 0.00 23.12 22.68 1w2b s ALA 64 CO 0.16 -0.10 0.32 0.08 0.00 0.00 0.00 175.76 176.22 1w2b s VAL 65 N 1.10 4.15 -0.30 0.00 1.01 0.19 -1.52 120.40 125.03 1w2b s VAL 65 Ca -0.08 -1.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 1w2b s VAL 65 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1w2b s VAL 65 CO -0.01 -0.73 0.16 -0.69 0.00 0.00 0.00 175.10 173.82 1w2b s VAL 66 N 1.35 4.85 0.02 2.92 1.01 -0.13 -1.06 120.40 129.37 1w2b s VAL 66 Ca 0.05 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1w2b s VAL 66 Cb -0.26 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1w2b s VAL 66 CO -0.01 0.16 0.50 -0.60 0.00 0.00 0.00 175.10 175.15 1w2b s ARG 67 N 1.67 4.12 0.35 2.72 3.52 0.48 0.83 118.95 132.64 1w2b s ARG 67 Ca 0.06 0.59 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 1w2b s ARG 67 Cb -0.16 -3.26 0.06 0.00 -1.56 0.00 0.00 34.95 30.03 1w2b s ARG 67 CO 0.08 0.59 0.48 1.28 -0.81 0.00 0.00 175.30 176.92 1w2b n LEU 68 N 2.03 0.00 -4.89 -0.88 4.77 -0.88 -2.09 117.00 115.06 1w2b n LEU 68 Ca -0.11 -1.29 -0.32 0.00 -0.03 0.00 0.00 56.01 54.25 1w2b n LEU 68 Cb 0.51 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1w2b n LEU 68 CO 0.40 -0.67 0.02 -0.94 -1.33 0.00 0.00 177.39 174.86 1w2b s SER 69 N -3.07 6.50 0.11 -1.43 1.04 -0.98 -4.52 113.70 111.36 1w2b s SER 69 Ca 0.35 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1w2b s SER 69 Cb -0.02 -2.09 0.18 0.00 0.10 0.00 0.00 66.02 64.18 1w2b s SER 69 CO 0.22 0.09 0.87 -0.62 0.98 0.00 0.00 173.24 174.78 1w2b n GLU 70 N 0.29 0.02 0.10 4.02 1.02 -1.26 0.11 120.64 124.95 1w2b n GLU 70 Ca -0.04 0.33 -0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1w2b n GLU 70 Cb 0.52 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1w2b n GLU 70 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1w2b h ASP 71 N 0.00 0.00 -2.05 1.62 1.82 -1.97 -3.46 116.42 112.39 1w2b h ASP 71 Ca 0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 1w2b h ASP 71 Cb 0.67 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 1w2b h ASP 71 CO 0.00 0.63 -0.49 -1.81 -1.61 0.00 0.00 179.24 175.96 1w2b s ASP 72 N -6.40 5.46 -0.21 2.28 1.01 0.31 -5.12 116.67 113.99 1w2b s ASP 72 Ca 0.02 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 52.93 1w2b s ASP 72 Cb 0.08 -1.24 0.06 0.00 1.01 0.00 0.00 42.92 42.84 1w2b s ASP 72 CO 0.77 -0.17 0.01 -0.62 0.21 0.00 0.00 175.17 175.37 1w2b s ASP 73 N -3.91 3.29 0.17 0.27 -1.08 -1.26 -4.68 116.67 109.47 1w2b s ASP 73 Ca 0.36 -0.99 -0.22 0.00 -0.52 0.00 0.00 52.55 51.18 1w2b s ASP 73 Cb -0.07 -0.81 0.08 0.00 -1.46 0.00 0.00 42.92 40.66 1w2b s ASP 73 CO 0.26 -0.29 1.60 0.00 0.52 0.00 0.00 175.17 177.26 1w2b h ALA 74 N 8.14 -0.11 -0.88 3.66 0.00 -1.88 0.34 119.26 128.53 1w2b h ALA 74 Ca -0.16 0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1w2b h ALA 74 Cb 1.10 0.68 -0.15 0.00 0.00 0.00 0.00 17.79 19.42 1w2b h ALA 74 CO 0.37 -0.69 0.11 1.96 0.00 0.00 0.00 179.25 181.01 1w2b h GLN 75 N -0.22 0.11 0.10 0.00 4.20 -1.94 1.32 115.11 118.69 1w2b h GLN 75 Ca 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1w2b h GLN 75 Cb 0.53 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1w2b h GLN 75 CO -0.56 0.07 -0.05 0.93 -0.67 0.00 0.00 178.83 178.56 1w2b h GLU 76 N 0.11 -0.13 -0.60 1.46 5.08 -1.29 -2.87 114.58 116.35 1w2b h GLU 76 Ca 0.54 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.01 1w2b h GLU 76 Cb 1.07 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1w2b h GLU 76 CO -0.74 0.35 0.15 0.28 -1.00 0.00 0.00 179.01 178.06 1w2b h VAL 77 N -0.71 0.68 -0.26 3.13 2.07 0.14 0.17 116.25 121.46 1w2b h VAL 77 Ca -0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1w2b h VAL 77 Cb 0.54 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1w2b h VAL 77 CO 0.02 0.05 0.27 0.00 0.02 0.00 0.00 177.57 177.94 1w2b h ALA 78 N 1.46 1.94 -0.45 1.67 0.00 0.17 0.36 119.26 124.41 1w2b h ALA 78 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1w2b h ALA 78 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1w2b h ALA 78 CO -0.37 -0.41 -0.20 0.66 0.00 0.00 0.00 179.25 178.93 1w2b h SER 79 N 0.00 0.95 1.18 0.00 4.64 -0.43 -2.92 113.55 116.96 1w2b h SER 79 Ca 0.12 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1w2b h SER 79 Cb 0.67 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1w2b h SER 79 CO -0.00 1.13 -0.28 0.03 -0.87 0.00 0.00 176.83 176.84 1w2b h ARG 80 N 0.76 0.00 -3.02 4.77 3.08 -0.88 -3.34 114.38 115.75 1w2b h ARG 80 Ca 0.10 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.38 1w2b h ARG 80 Cb 0.77 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.62 1w2b h ARG 80 CO 0.06 0.28 1.69 -0.89 -1.07 0.00 0.00 179.97 180.05 1w2b n ILE 81 N -3.32 4.99 0.00 2.04 5.41 -0.79 -4.96 119.36 122.74 1w2b n ILE 81 Ca 0.01 -4.95 0.00 0.00 1.00 0.00 0.00 62.75 58.81 1w2b n ILE 81 Cb 0.52 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1w2b n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1w2b n GLY 82 N 1.87 1.09 4.18 7.39 0.00 -1.26 -4.64 105.19 113.83 1w2b n GLY 82 Ca 0.42 0.60 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1w2b n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1w2b n VAL 83 N 0.00 0.00 0.29 1.61 0.31 -1.26 -4.68 118.33 114.60 1w2b n VAL 83 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1w2b n VAL 83 Cb 0.00 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.07 1w2b n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00