#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd s GLN 2 N 0.00 0.94 0.00 1.43 2.00 -1.26 -5.15 119.66 117.62 2abd s GLN 2 Ca 0.00 -1.40 0.00 0.00 -2.00 0.00 0.00 55.36 51.96 2abd s GLN 2 Cb 0.00 0.26 0.00 0.00 0.80 0.00 0.00 33.01 34.07 2abd s GLN 2 CO 0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 175.29 174.52 2abd n ALA 3 N -0.10 0.00 -0.23 1.58 0.00 -1.26 -4.96 120.51 115.54 2abd n ALA 3 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2abd n ALA 3 Cb 0.64 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.39 2abd n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2abd n GLU 4 N 0.00 2.73 -0.26 0.00 0.28 -1.26 -4.53 120.64 117.60 2abd n GLU 4 Ca 0.00 -2.51 -0.01 0.00 -0.16 0.00 0.00 57.16 54.48 2abd n GLU 4 Cb 0.00 -1.58 0.05 0.00 1.43 0.00 0.00 31.44 31.34 2abd n GLU 4 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2abd h PHE 5 N 4.00 -0.71 0.00 -1.84 3.57 -1.93 0.76 116.94 120.80 2abd h PHE 5 Ca 0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2abd h PHE 5 Cb 0.98 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 2abd h PHE 5 CO 0.50 -0.36 -0.13 -0.44 -2.23 0.00 0.00 178.31 175.64 2abd h ASP 6 N -0.07 0.00 -0.04 0.41 3.32 -1.98 0.37 116.42 118.43 2abd h ASP 6 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2abd h ASP 6 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2abd h ASP 6 CO -0.78 0.13 -0.05 0.50 -1.72 0.00 0.00 179.24 177.32 2abd h LYS 7 N 0.00 0.11 -0.33 3.56 3.64 -0.02 0.35 116.57 123.88 2abd h LYS 7 Ca -0.00 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2abd h LYS 7 Cb 0.26 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 2abd h LYS 7 CO 0.02 0.59 -0.30 0.00 -2.27 0.00 0.00 179.45 177.48 2abd h ALA 8 N 0.52 -0.18 0.31 5.00 0.00 0.12 0.32 119.26 125.34 2abd h ALA 8 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2abd h ALA 8 Cb 0.57 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2abd h ALA 8 CO 0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 179.25 178.12 2abd h ALA 9 N 0.74 -0.87 -0.81 0.00 0.00 -0.21 0.29 119.26 118.40 2abd h ALA 9 Ca 0.16 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.11 2abd h ALA 9 Cb 0.52 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2abd h ALA 9 CO -0.48 -1.04 0.34 1.49 0.00 0.00 0.00 179.25 179.55 2abd h GLU 10 N -0.79 0.43 0.28 0.00 4.81 0.54 -0.08 114.58 119.77 2abd h GLU 10 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2abd h GLU 10 Cb 0.73 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2abd h GLU 10 CO -0.13 0.28 -0.13 0.93 -0.73 0.00 0.00 179.01 179.23 2abd h GLU 11 N 0.44 -0.36 -0.98 1.92 5.08 0.02 -3.33 114.58 117.37 2abd h GLU 11 Ca 0.47 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.99 2abd h GLU 11 Cb 0.78 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 2abd h GLU 11 CO -0.45 -0.13 0.62 -0.24 -1.00 0.00 0.00 179.01 177.80 2abd h VAL 12 N -1.05 0.87 0.00 3.13 3.04 -0.25 -0.06 116.25 121.93 2abd h VAL 12 Ca -0.04 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2abd h VAL 12 Cb 0.40 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 2abd h VAL 12 CO 0.06 0.16 0.00 0.29 -1.01 0.00 0.00 177.57 177.07 2abd n LYS 13 N -4.62 0.48 -0.01 4.17 5.02 -0.06 -3.29 118.16 119.85 2abd n LYS 13 Ca 0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 2abd n LYS 13 Cb 0.42 -1.18 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2abd n HIS 14 N -0.68 0.00 0.00 2.13 8.25 -0.05 -5.07 115.22 119.80 2abd n HIS 14 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2abd n HIS 14 Cb 0.02 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2abd n LEU 15 N -2.37 0.00 -0.16 2.41 4.77 -1.11 -4.66 117.00 115.88 2abd n LEU 15 Ca -0.04 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2abd n LEU 15 Cb 0.55 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.87 2abd n LEU 15 CO 0.03 0.00 0.46 0.29 -1.33 0.00 0.00 177.39 176.84 2abd n LYS 16 N 0.00 -0.03 -4.33 3.23 4.76 0.16 -3.77 118.16 118.18 2abd n LYS 16 Ca 0.00 0.67 -0.28 0.00 -2.87 0.00 0.00 58.31 55.83 2abd n LYS 16 Cb 0.00 -1.16 -0.11 0.00 -1.84 0.00 0.00 35.03 31.93 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2abd s THR 17 N -4.92 2.86 -0.34 -0.18 2.01 -1.26 -5.08 115.64 108.73 2abd s THR 17 Ca -0.05 -1.69 -0.21 0.00 0.31 0.00 0.00 61.69 60.04 2abd s THR 17 Cb 0.15 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2abd s THR 17 CO 0.37 -0.04 0.68 -0.54 -0.69 0.00 0.00 174.62 174.41 2abd s LYS 18 N -2.54 3.78 0.33 4.92 1.02 -1.25 -4.88 119.74 121.13 2abd s LYS 18 Ca 0.21 0.23 -0.25 0.00 0.02 0.00 0.00 55.97 56.19 2abd s LYS 18 Cb -0.09 -3.78 -0.15 0.00 -0.52 0.00 0.00 37.83 33.29 2abd s LYS 18 CO 0.12 -0.71 0.54 -2.30 -0.92 0.00 0.00 175.35 172.07 2abd n PRO 19 N 6.10 0.44 -1.75 -1.68 -0.02 -1.26 -4.92 135.00 131.91 2abd n PRO 19 Ca 0.00 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 2abd n PRO 19 Cb 0.48 -1.33 0.05 0.00 -0.02 0.00 0.00 33.50 32.69 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2abd s ALA 20 N -1.30 2.42 0.07 3.55 0.00 -1.26 -4.68 121.76 120.56 2abd s ALA 20 Ca 0.62 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2abd s ALA 20 Cb -0.72 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2abd s ALA 20 CO 0.59 -1.35 1.21 -0.40 0.00 0.00 0.00 175.76 175.81 2abd n ASP 21 N -2.35 -0.49 0.12 0.00 5.68 -1.26 -0.88 116.55 117.38 2abd n ASP 21 Ca 0.11 1.32 -0.11 0.00 -0.50 0.00 0.00 54.79 55.61 2abd n ASP 21 Cb 0.51 -0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2abd h GLU 22 N 0.00 -0.52 -0.93 0.11 5.08 -1.99 0.11 114.58 116.43 2abd h GLU 22 Ca 0.07 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.67 2abd h GLU 22 Cb 0.19 0.12 -0.18 0.00 0.50 0.00 0.00 28.75 29.38 2abd h GLU 22 CO -0.43 -0.35 -0.18 0.93 -1.00 0.00 0.00 179.01 177.98 2abd h GLU 23 N -0.54 0.01 0.12 2.33 5.08 -1.81 0.25 114.58 120.02 2abd h GLU 23 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2abd h GLU 23 Cb 0.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2abd h GLU 23 CO -0.12 0.00 -0.08 0.52 -1.00 0.00 0.00 179.01 178.33 2abd h MET 24 N 0.01 -0.20 -0.56 2.33 2.86 -0.38 -3.07 114.93 115.91 2abd h MET 24 Ca 0.47 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.25 2abd h MET 24 Cb 0.77 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.37 2abd h MET 24 CO -0.94 -0.13 -0.09 1.28 1.06 0.00 0.00 176.91 178.09 2abd n LEU 25 N -5.19 -0.15 0.19 1.22 4.77 0.89 -0.09 117.00 118.63 2abd n LEU 25 Ca -0.08 0.97 -0.09 0.00 -0.03 0.00 0.00 56.01 56.78 2abd n LEU 25 Cb 0.12 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2abd n LEU 25 CO 0.33 -0.94 0.51 0.15 -1.33 0.00 0.00 177.39 176.11 2abd h PHE 26 N 0.00 -0.57 -0.53 -1.77 3.57 -1.49 0.28 116.94 116.43 2abd h PHE 26 Ca 0.30 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.86 2abd h PHE 26 Cb 0.51 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.36 2abd h PHE 26 CO -0.38 -0.32 -0.52 0.82 -2.23 0.00 0.00 178.31 175.68 2abd h ILE 27 N -0.53 0.03 -0.07 1.41 5.03 -1.04 -0.81 117.51 121.53 2abd h ILE 27 Ca -0.05 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.71 2abd h ILE 27 Cb 0.42 0.03 -0.05 0.00 -3.03 0.00 0.00 36.82 34.19 2abd h ILE 27 CO 0.05 0.00 -0.44 0.22 -0.68 0.00 0.00 178.15 177.30 2abd h TYR 28 N -0.30 -1.29 0.02 1.37 3.20 -0.40 0.83 116.97 120.40 2abd h TYR 28 Ca 0.12 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 28 Cb 0.57 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 2abd h TYR 28 CO -0.76 -0.45 -0.39 0.66 -1.64 0.00 0.00 178.16 175.58 2abd h SER 29 N -0.50 -1.17 0.12 -2.11 4.64 -0.11 0.27 113.55 114.69 2abd h SER 29 Ca 0.02 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2abd h SER 29 Cb 0.56 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2abd h SER 29 CO -0.33 -0.44 -0.06 0.45 -0.87 0.00 0.00 176.83 175.58 2abd h HIS 30 N -0.56 -0.15 -0.22 4.77 3.86 -1.09 0.57 115.15 122.33 2abd h HIS 30 Ca 0.05 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2abd h HIS 30 Cb 0.63 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 2abd h HIS 30 CO -0.39 0.06 -0.26 -0.92 0.86 0.00 0.00 177.93 177.28 2abd h TYR 31 N -0.34 -0.79 -0.55 2.45 3.20 0.10 0.49 116.97 121.53 2abd h TYR 31 Ca -0.02 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2abd h TYR 31 Cb 0.28 0.37 -0.11 0.00 1.54 0.00 0.00 36.73 38.81 2abd h TYR 31 CO -0.01 -0.22 -0.22 0.87 -1.64 0.00 0.00 178.16 176.94 2abd h LYS 32 N -0.16 -0.08 -0.77 1.82 1.79 -0.39 0.33 116.57 119.11 2abd h LYS 32 Ca 0.04 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.65 2abd h LYS 32 Cb 0.26 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.84 2abd h LYS 32 CO -0.29 -0.06 0.35 1.96 -1.08 0.00 0.00 179.45 180.33 2abd h GLN 33 N -0.09 0.51 -0.02 3.15 1.08 0.17 0.43 115.11 120.34 2abd h GLN 33 Ca 0.25 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.27 2abd h GLN 33 Cb 0.48 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2abd h GLN 33 CO -0.61 0.34 -0.69 0.00 -0.95 0.00 0.00 178.83 176.91 2abd h ALA 34 N 1.53 0.80 0.00 3.87 0.00 0.13 -3.26 119.26 122.33 2abd h ALA 34 Ca 0.42 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2abd h ALA 34 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2abd h ALA 34 CO -0.37 0.82 -1.29 0.25 0.00 0.00 0.00 179.25 178.67 2abd n THR 35 N -3.76 1.48 -0.07 0.00 -2.24 0.10 -4.80 114.28 104.99 2abd n THR 35 Ca -0.02 0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 2abd n THR 35 Cb 0.68 -2.22 -0.11 0.00 -2.10 0.00 0.00 70.33 66.58 2abd n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2abd h VAL 36 N -0.96 1.33 0.00 2.28 2.07 -0.63 -3.51 116.25 116.84 2abd h VAL 36 Ca -0.15 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2abd h VAL 36 Cb 1.10 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2abd h VAL 36 CO -0.09 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.56 2abd n GLY 37 N 1.60 0.13 3.78 2.17 0.00 0.11 -5.00 105.19 107.97 2abd n GLY 37 Ca -0.13 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 2abd n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2abd s ASP 38 N -4.00 6.42 -0.80 1.61 1.11 -1.26 -3.10 116.67 116.65 2abd s ASP 38 Ca 0.00 2.17 -0.23 0.00 0.18 0.00 0.00 52.55 54.67 2abd s ASP 38 Cb 0.00 -2.59 -0.17 0.00 1.07 0.00 0.00 42.92 41.22 2abd s ASP 38 CO 0.00 -0.73 2.38 0.00 1.18 0.00 0.00 175.17 178.00 2abd n ILE 39 N -0.34 -0.01 -1.42 0.77 3.06 -1.26 -4.69 119.36 115.47 2abd n ILE 39 Ca 0.06 -0.52 -0.29 0.00 -2.50 0.00 0.00 62.75 59.51 2abd n ILE 39 Cb 0.49 -1.67 0.10 0.00 0.54 0.00 0.00 39.64 39.10 2abd n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2abd n ASN 40 N 15.79 6.16 0.00 9.51 3.02 -1.26 -4.81 115.26 143.67 2abd n ASN 40 Ca 0.50 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 2abd n ASN 40 Cb 0.38 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2abd n THR 41 N -0.95 0.00 -3.59 3.41 -2.24 -1.26 -5.17 114.28 104.47 2abd n THR 41 Ca 0.57 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 62.21 2abd n THR 41 Cb 0.93 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 2abd n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2abd s GLU 42 N 4.60 0.99 -0.61 -0.78 -1.05 -1.26 -5.10 118.70 115.49 2abd s GLU 42 Ca 0.00 -0.11 -0.25 0.00 -0.15 0.00 0.00 54.97 54.46 2abd s GLU 42 Cb 0.00 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2abd s GLU 42 CO 0.00 -0.34 1.06 0.50 0.95 0.00 0.00 175.26 177.43 2abd s ARG 43 N -1.98 3.31 0.56 -4.83 3.52 -1.26 -4.89 118.95 113.38 2abd s ARG 43 Ca -0.08 -0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 2abd s ARG 43 Cb -0.01 -4.09 -0.10 0.00 -1.56 0.00 0.00 34.95 29.19 2abd s ARG 43 CO 0.02 -1.69 -0.63 -2.30 -0.81 0.00 0.00 175.30 169.88 2abd n PRO 44 N 8.04 0.00 0.00 5.12 -0.02 -1.26 -5.07 135.00 141.81 2abd n PRO 44 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2abd n PRO 44 Cb 0.48 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 2abd n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2abd n GLY 45 N 1.96 -0.00 0.00 -1.23 0.00 -1.26 -5.04 105.19 99.62 2abd n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2abd n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2abd n MET 46 N -2.79 0.00 0.20 1.61 2.81 -1.26 -4.77 117.12 112.91 2abd n MET 46 Ca 0.00 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.07 2abd n MET 46 Cb 0.27 0.00 0.83 0.00 -0.71 0.00 0.00 33.22 33.61 2abd n MET 46 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2abd h LEU 47 N 0.00 0.00 0.00 4.03 3.38 -2.07 -3.40 115.31 117.25 2abd h LEU 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2abd h LEU 47 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2abd h LEU 47 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2abd n ASP 48 N -3.73 0.00 0.00 -0.43 9.92 -1.26 -4.48 116.55 116.57 2abd n ASP 48 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2abd n ASP 48 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 2abd n ASP 48 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2abd n PHE 49 N 0.00 0.00 -1.02 1.24 1.16 -1.26 0.16 117.46 117.74 2abd n PHE 49 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.57 2abd n PHE 49 Cb 0.00 -0.45 0.33 0.00 -1.61 0.00 0.00 39.48 37.75 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2abd n LYS 50 N -3.62 3.94 -0.00 3.97 5.02 -1.26 -4.52 118.16 121.69 2abd n LYS 50 Ca 0.00 -3.10 -0.00 0.00 -2.02 0.00 0.00 58.31 53.19 2abd n LYS 50 Cb 0.00 -2.19 -0.00 0.00 -0.02 0.00 0.00 35.03 32.82 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2abd n GLY 51 N -0.01 -0.23 0.00 0.72 0.00 0.12 -4.76 105.19 101.03 2abd n GLY 51 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2abd n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2abd n LYS 52 N -2.50 0.00 -0.30 1.61 5.02 -1.12 -0.63 118.16 120.24 2abd n LYS 52 Ca -0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2abd n LYS 52 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd n ALA 53 N -3.10 -0.29 -0.15 7.82 0.00 -1.26 0.11 120.51 123.63 2abd n ALA 53 Ca 0.00 0.69 -0.06 0.00 0.00 0.00 0.00 53.44 54.07 2abd n ALA 53 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 19.45 19.24 2abd n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2abd h LYS 54 N 0.00 -0.17 0.04 0.00 6.56 -1.19 0.38 116.57 122.19 2abd h LYS 54 Ca 0.19 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.82 2abd h LYS 54 Cb 0.37 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.02 2abd h LYS 54 CO -0.72 -0.11 -0.39 2.35 -2.06 0.00 0.00 179.45 178.51 2abd h TRP 55 N -0.18 -1.09 0.20 -1.35 7.01 0.62 -0.51 115.95 120.65 2abd h TRP 55 Ca 0.21 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2abd h TRP 55 Cb 0.51 0.47 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2abd h TRP 55 CO -0.54 -0.48 -0.09 -0.44 -2.79 0.00 0.00 178.44 174.10 2abd h ASP 56 N -0.57 -0.22 -0.77 2.65 3.32 -0.14 0.53 116.42 121.21 2abd h ASP 56 Ca 0.04 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.24 2abd h ASP 56 Cb 0.64 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.14 2abd h ASP 56 CO -0.28 -0.15 0.29 0.00 -1.72 0.00 0.00 179.24 177.38 2abd h ALA 57 N 0.52 1.09 0.14 3.45 0.00 -0.04 0.15 119.26 124.57 2abd h ALA 57 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2abd h ALA 57 Cb 0.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2abd h ALA 57 CO 0.04 -0.25 -0.07 2.35 0.00 0.00 0.00 179.25 181.32 2abd h TRP 58 N 0.40 -0.17 -0.96 0.00 7.01 -0.80 -3.27 115.95 118.15 2abd h TRP 58 Ca 0.43 -0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.68 2abd h TRP 58 Cb 0.70 0.06 -0.18 0.00 -2.10 0.00 0.00 29.16 27.64 2abd h TRP 58 CO -0.18 0.29 -0.03 -0.97 -2.79 0.00 0.00 178.44 174.75 2abd h ASN 59 N -0.85 -0.56 -1.73 2.65 -1.24 0.93 0.23 115.58 115.01 2abd h ASN 59 Ca -0.02 0.28 0.53 0.00 0.71 0.00 0.00 56.30 57.80 2abd h ASN 59 Cb 0.54 0.50 -0.10 0.00 0.73 0.00 0.00 38.32 39.99 2abd h ASN 59 CO 0.03 -0.33 1.21 1.21 -1.29 0.00 0.00 177.43 178.26 2abd n GLU 60 N -5.50 -0.01 -0.00 6.67 2.13 0.44 0.32 120.64 124.68 2abd n GLU 60 Ca 0.21 1.13 0.13 0.00 0.66 0.00 0.00 57.16 59.28 2abd n GLU 60 Cb 0.68 -2.45 0.29 0.00 0.27 0.00 0.00 31.44 30.23 2abd n GLU 60 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2abd n LEU 61 N -4.19 2.32 -3.95 4.31 4.77 0.80 -4.91 117.00 116.15 2abd n LEU 61 Ca 0.42 -0.78 -0.15 0.00 -0.03 0.00 0.00 56.01 55.47 2abd n LEU 61 Cb 1.82 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.86 2abd n LEU 61 CO 0.34 0.39 0.98 1.17 -1.33 0.00 0.00 177.39 178.94 2abd n LYS 62 N 0.82 0.02 0.00 3.23 0.00 0.15 0.11 118.16 122.48 2abd n LYS 62 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 58.31 57.90 2abd n LYS 62 Cb 0.49 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.59 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 63 N 4.57 1.35 3.89 3.14 0.00 -1.26 -4.98 105.19 111.91 2abd n GLY 63 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2abd n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2abd s THR 64 N -1.35 3.76 -0.06 2.61 2.01 0.30 -4.97 115.64 117.94 2abd s THR 64 Ca 0.00 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 2abd s THR 64 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2abd s THR 64 CO 0.00 -0.65 1.62 -0.55 -0.69 0.00 0.00 174.62 174.36 2abd s SER 65 N -4.31 6.69 0.49 3.53 0.15 -1.26 -4.80 113.70 114.19 2abd s SER 65 Ca 0.56 2.20 0.35 0.00 0.70 0.00 0.00 55.95 59.76 2abd s SER 65 Cb -0.11 -2.53 1.48 0.00 -1.71 0.00 0.00 66.02 63.15 2abd s SER 65 CO 0.49 -0.91 1.69 0.11 1.20 0.00 0.00 173.24 175.83 2abd h LYS 66 N 9.39 0.09 0.45 5.44 6.56 -1.92 0.68 116.57 137.27 2abd h LYS 66 Ca -0.38 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.18 2abd h LYS 66 Cb 1.17 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2abd h LYS 66 CO 0.95 0.06 -0.22 1.49 -2.06 0.00 0.00 179.45 179.68 2abd h GLU 67 N 0.09 -0.59 -0.66 3.15 4.81 -1.92 -0.84 114.58 118.63 2abd h GLU 67 Ca 0.73 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 60.14 2abd h GLU 67 Cb 2.57 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 31.98 2abd h GLU 67 CO -0.18 -0.32 0.04 -0.44 -0.73 0.00 0.00 179.01 177.38 2abd h ASP 68 N -1.09 -0.22 -0.06 1.04 3.32 -0.16 0.53 116.42 119.78 2abd h ASP 68 Ca -0.06 0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2abd h ASP 68 Cb 0.54 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 2abd h ASP 68 CO 0.10 -0.11 -0.37 0.00 -1.72 0.00 0.00 179.24 177.14 2abd h ALA 69 N 1.59 -0.53 0.77 3.45 0.00 -0.60 0.28 119.26 124.21 2abd h ALA 69 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2abd h ALA 69 Cb 0.58 0.68 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2abd h ALA 69 CO -0.54 -0.88 -0.37 0.52 0.00 0.00 0.00 179.25 177.98 2abd h MET 70 N -0.49 -0.99 -0.10 0.00 2.86 0.40 0.12 114.93 116.73 2abd h MET 70 Ca 0.07 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2abd h MET 70 Cb 0.60 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 2abd h MET 70 CO -0.33 -0.64 -0.09 0.87 1.06 0.00 0.00 176.91 177.78 2abd h LYS 71 N -1.16 -0.03 -0.24 1.72 1.57 0.13 -0.67 116.57 117.89 2abd h LYS 71 Ca -0.11 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2abd h LYS 71 Cb 0.81 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.05 2abd h LYS 71 CO 0.17 -0.02 -0.41 0.00 -0.57 0.00 0.00 179.45 178.62 2abd h ALA 72 N -0.96 -0.50 -0.66 3.86 0.00 -0.53 -0.01 119.26 120.46 2abd h ALA 72 Ca 0.02 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 72 Cb 0.08 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2abd h ALA 72 CO -0.11 -0.88 -0.37 0.98 0.00 0.00 0.00 179.25 178.86 2abd n TYR 73 N -5.43 -0.24 0.23 0.00 9.36 0.41 0.93 117.16 122.42 2abd n TYR 73 Ca -0.03 0.83 -0.09 0.00 3.32 0.00 0.00 57.90 61.93 2abd n TYR 73 Cb 0.35 -0.58 -0.04 0.00 -0.63 0.00 0.00 39.34 38.44 2abd n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2abd h ILE 74 N 0.00 0.00 -1.00 2.97 2.04 -0.51 0.11 117.51 121.11 2abd h ILE 74 Ca 0.13 -0.26 0.29 0.00 1.00 0.00 0.00 64.86 66.01 2abd h ILE 74 Cb 0.29 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 2abd h ILE 74 CO -0.63 0.00 1.19 0.44 0.00 0.00 0.00 178.15 179.15 2abd h ASP 75 N -0.87 0.00 0.00 1.72 3.32 0.26 0.24 116.42 121.09 2abd h ASP 75 Ca -0.06 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.53 2abd h ASP 75 Cb 0.46 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 2abd h ASP 75 CO 0.10 0.00 -2.55 0.29 -1.72 0.00 0.00 179.24 175.37 2abd n LYS 76 N -3.25 0.60 -0.28 3.56 4.01 0.26 -4.54 118.16 118.52 2abd n LYS 76 Ca 0.22 0.24 0.17 0.00 -0.51 0.00 0.00 58.31 58.44 2abd n LYS 76 Cb 1.49 -1.49 0.33 0.00 -0.51 0.00 0.00 35.03 34.85 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2abd n VAL 77 N -4.12 -0.35 -0.28 -0.18 0.31 0.84 -0.64 118.33 113.91 2abd n VAL 77 Ca -0.54 1.79 -0.01 0.00 -0.01 0.00 0.00 64.34 65.57 2abd n VAL 77 Cb 0.90 -2.71 0.02 0.00 -0.91 0.00 0.00 33.84 31.15 2abd n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2abd n GLU 78 N -5.10 -0.18 -0.29 5.55 4.07 -1.11 0.18 120.64 123.76 2abd n GLU 78 Ca 0.24 1.12 0.06 0.00 -0.06 0.00 0.00 57.16 58.52 2abd n GLU 78 Cb 0.79 -1.66 0.16 0.00 -0.06 0.00 0.00 31.44 30.67 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2abd h GLU 79 N 0.00 0.04 -0.15 5.31 5.08 -1.19 0.21 114.58 123.89 2abd h GLU 79 Ca 0.24 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2abd h GLU 79 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2abd h GLU 79 CO -0.72 0.03 -0.37 -0.07 -1.00 0.00 0.00 179.01 176.88 2abd h LEU 80 N 0.04 0.58 -2.17 1.33 3.38 0.18 0.54 115.31 119.19 2abd h LEU 80 Ca 0.44 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2abd h LEU 80 Cb 0.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2abd h LEU 80 CO -0.80 1.05 0.29 0.50 0.09 0.00 0.00 178.44 179.57 2abd h LYS 81 N 0.13 0.00 0.00 1.13 3.64 0.14 0.92 116.57 122.53 2abd h LYS 81 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2abd h LYS 81 Cb 0.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2abd h LYS 81 CO 0.08 0.00 -1.15 1.63 -2.27 0.00 0.00 179.45 177.74 2abd n LYS 82 N -3.38 0.53 -0.26 1.90 4.76 0.53 -2.46 118.16 119.78 2abd n LYS 82 Ca 0.01 0.29 0.07 0.00 -2.87 0.00 0.00 58.31 55.81 2abd n LYS 82 Cb 0.39 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.28 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2abd h LYS 83 N -1.00 0.25 0.00 1.97 1.63 0.45 -3.27 116.57 116.60 2abd h LYS 83 Ca -0.12 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.56 2abd h LYS 83 Cb 1.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2abd h LYS 83 CO -0.07 0.16 -1.35 0.66 -3.45 0.00 0.00 179.45 175.40 2abd n TYR 84 N -5.17 0.00 0.00 1.91 4.01 0.25 -5.02 117.16 113.13 2abd n TYR 84 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2abd n TYR 84 Cb 0.49 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 2abd n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2abd n GLY 85 N 1.42 0.45 0.00 2.72 0.00 -0.76 -4.10 105.19 104.93 2abd n GLY 85 Ca -0.23 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.62 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71