#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd n GLN 2 N 0.00 1.51 -0.35 1.43 10.64 -1.26 -4.45 117.38 124.91 2abd n GLN 2 Ca 0.00 -1.08 -0.09 0.00 -1.83 0.00 0.00 57.00 54.00 2abd n GLN 2 Cb 0.00 -1.27 -0.08 0.00 -0.86 0.00 0.00 30.24 28.02 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2abd n ALA 3 N 0.32 -0.53 -0.15 2.61 0.00 -1.26 -0.06 120.51 121.45 2abd n ALA 3 Ca 0.08 0.70 0.08 0.00 0.00 0.00 0.00 53.44 54.29 2abd n ALA 3 Cb 0.36 -0.03 0.29 0.00 0.00 0.00 0.00 19.45 20.06 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 -4.86 3.15 -0.09 0.00 0.28 -1.26 -1.42 120.64 116.44 2abd n GLU 4 Ca 0.02 -2.28 -0.17 0.00 -0.16 0.00 0.00 57.16 54.57 2abd n GLU 4 Cb 0.21 -1.76 -0.10 0.00 1.43 0.00 0.00 31.44 31.23 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 3.29 0.00 -0.41 -1.84 3.57 -1.17 0.44 116.94 120.81 2abd h PHE 5 Ca 0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2abd h PHE 5 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2abd h PHE 5 CO 0.61 1.12 -0.25 -0.44 -2.23 0.00 0.00 178.31 177.12 2abd h ASP 6 N -1.00 0.93 -0.46 0.41 3.32 -0.41 0.25 116.42 119.46 2abd h ASP 6 Ca -0.21 -0.42 0.08 0.00 0.02 0.00 0.00 57.03 56.50 2abd h ASP 6 Cb 1.07 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 2abd h ASP 6 CO -0.12 1.15 0.09 0.50 -1.72 0.00 0.00 179.24 179.13 2abd h LYS 7 N 0.71 0.22 -0.14 3.56 3.64 -1.30 0.30 116.57 123.56 2abd h LYS 7 Ca 0.09 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2abd h LYS 7 Cb 0.82 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2abd h LYS 7 CO 0.07 0.15 -0.26 0.00 -2.27 0.00 0.00 179.45 177.14 2abd h ALA 8 N 1.35 -0.25 -0.10 5.00 0.00 0.61 0.29 119.26 126.17 2abd h ALA 8 Ca 0.23 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2abd h ALA 8 Cb 0.29 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2abd h ALA 8 CO -0.30 -0.72 -0.35 0.00 0.00 0.00 0.00 179.25 177.88 2abd h ALA 9 N 0.61 -0.47 -0.62 0.00 0.00 0.73 0.37 119.26 119.87 2abd h ALA 9 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2abd h ALA 9 Cb 0.48 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2abd h ALA 9 CO -0.32 -0.85 0.25 1.49 0.00 0.00 0.00 179.25 179.82 2abd h GLU 10 N -0.45 0.43 0.34 0.00 4.81 0.23 -0.78 114.58 119.16 2abd h GLU 10 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2abd h GLU 10 Cb 0.58 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2abd h GLU 10 CO -0.35 0.28 -0.16 0.93 -0.73 0.00 0.00 179.01 178.99 2abd h GLU 11 N 0.44 -0.44 -0.48 1.92 5.08 -0.01 -3.33 114.58 117.77 2abd h GLU 11 Ca 0.31 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.77 2abd h GLU 11 Cb 0.37 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2abd h GLU 11 CO -0.30 -0.17 0.16 -0.24 -1.00 0.00 0.00 179.01 177.46 2abd h VAL 12 N -1.04 0.82 0.00 3.13 3.04 -0.27 -1.74 116.25 120.20 2abd h VAL 12 Ca -0.05 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 2abd h VAL 12 Cb 0.46 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 2abd h VAL 12 CO 0.08 0.06 0.00 0.29 -1.01 0.00 0.00 177.57 176.99 2abd n LYS 13 N -5.02 0.10 0.00 4.17 4.76 -0.30 -2.79 118.16 119.08 2abd n LYS 13 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2abd n LYS 13 Cb 0.20 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2abd n LYS 13 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2abd n HIS 14 N -0.05 0.00 0.00 2.13 1.44 -0.67 -5.06 115.22 113.01 2abd n HIS 14 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2abd n HIS 14 Cb 0.01 0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2abd n LEU 15 N -2.43 0.00 0.00 2.39 4.77 -1.09 -4.60 117.00 116.04 2abd n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2abd n LEU 15 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2abd n LEU 15 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 2abd n LYS 16 N 0.00 0.00 -0.52 3.23 4.81 -0.57 -4.39 118.16 120.72 2abd n LYS 16 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2abd n LYS 16 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 2abd n LYS 16 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2abd n THR 17 N -2.01 0.00 -2.70 3.15 -1.04 -1.24 -5.03 114.28 105.41 2abd n THR 17 Ca 0.00 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 2abd n THR 17 Cb 0.00 -1.85 0.02 0.00 -1.82 0.00 0.00 70.33 66.68 2abd n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2abd n LYS 18 N -1.73 5.28 -1.27 -2.82 2.85 -1.26 -5.06 118.16 114.15 2abd n LYS 18 Ca 0.04 -4.66 -0.50 0.00 -1.05 0.00 0.00 58.31 52.15 2abd n LYS 18 Cb 0.15 -2.47 -0.07 0.00 -0.65 0.00 0.00 35.03 31.99 2abd n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2abd n PRO 19 N 0.12 0.00 -2.23 -1.58 -0.02 -1.26 -4.87 135.00 125.16 2abd n PRO 19 Ca 0.44 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 2abd n PRO 19 Cb 0.27 -1.15 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.49 2.68 0.13 3.55 0.00 -1.26 -4.77 121.76 123.58 2abd s ALA 20 Ca 0.77 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 2abd s ALA 20 Cb -1.09 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 18.58 2abd s ALA 20 CO 0.56 -0.81 1.49 0.22 0.00 0.00 0.00 175.76 177.23 2abd h ASP 21 N 1.16 -1.78 -0.98 0.00 1.82 -1.97 -1.37 116.42 113.30 2abd h ASP 21 Ca -0.50 0.25 0.12 0.00 -0.39 0.00 0.00 57.03 56.51 2abd h ASP 21 Cb 1.27 0.75 -0.14 0.00 0.68 0.00 0.00 39.33 41.89 2abd h ASP 21 CO 0.57 -0.32 -0.49 -0.33 -1.61 0.00 0.00 179.24 177.06 2abd h GLU 22 N -0.25 -0.01 0.07 0.28 5.08 -1.97 1.00 114.58 118.78 2abd h GLU 22 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2abd h GLU 22 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2abd h GLU 22 CO -0.64 -0.01 -0.07 0.93 -1.00 0.00 0.00 179.01 178.22 2abd h GLU 23 N -0.01 -0.16 -0.09 2.33 5.08 -1.79 0.23 114.58 120.16 2abd h GLU 23 Ca 0.25 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2abd h GLU 23 Cb 0.51 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2abd h GLU 23 CO -0.95 -0.11 0.15 0.52 -1.00 0.00 0.00 179.01 177.62 2abd h MET 24 N -0.17 0.00 -0.02 2.33 2.86 0.30 -0.25 114.93 119.98 2abd h MET 24 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2abd h MET 24 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2abd h MET 24 CO -0.02 0.00 -0.12 -0.07 1.06 0.00 0.00 176.91 177.76 2abd h LEU 25 N 0.00 0.14 0.25 1.22 3.38 0.35 0.47 115.31 121.13 2abd h LEU 25 Ca 0.04 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 2abd h LEU 25 Cb 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2abd h LEU 25 CO -0.00 0.81 -0.35 0.15 0.09 0.00 0.00 178.44 179.13 2abd h PHE 26 N -0.52 -1.00 -0.06 1.13 3.04 0.95 0.52 116.94 121.01 2abd h PHE 26 Ca -0.01 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.97 2abd h PHE 26 Cb 0.81 0.40 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 2abd h PHE 26 CO 0.16 -0.45 -0.23 0.82 -2.02 0.00 0.00 178.31 176.59 2abd h ILE 27 N -0.63 0.00 -0.32 1.41 5.03 -1.25 -1.02 117.51 120.73 2abd h ILE 27 Ca -0.03 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.75 2abd h ILE 27 Cb 0.57 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.30 2abd h ILE 27 CO -0.10 0.00 -0.47 0.22 -0.68 0.00 0.00 178.15 177.13 2abd h TYR 28 N -0.25 -1.42 -0.53 1.37 3.20 -0.70 0.47 116.97 119.11 2abd h TYR 28 Ca 0.01 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.01 2abd h TYR 28 Cb 0.29 0.66 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 2abd h TYR 28 CO -0.50 -0.42 -0.56 0.66 -1.64 0.00 0.00 178.16 175.70 2abd h SER 29 N -0.35 -1.93 -0.32 -2.11 4.64 0.21 0.30 113.55 114.00 2abd h SER 29 Ca 0.06 0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 2abd h SER 29 Cb 0.51 0.80 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2abd h SER 29 CO -0.49 -0.37 0.06 0.45 -0.87 0.00 0.00 176.83 175.61 2abd h HIS 30 N -0.32 0.55 0.14 4.77 3.86 -0.96 -0.46 115.15 122.73 2abd h HIS 30 Ca 0.09 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2abd h HIS 30 Cb 0.56 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 2abd h HIS 30 CO -0.79 0.59 -0.53 -0.92 0.86 0.00 0.00 177.93 177.15 2abd h TYR 31 N 0.35 -1.52 -0.57 2.45 3.20 0.11 0.67 116.97 121.65 2abd h TYR 31 Ca 0.10 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.12 2abd h TYR 31 Cb 0.34 0.65 -0.09 0.00 1.54 0.00 0.00 36.73 39.16 2abd h TYR 31 CO 0.02 -0.60 0.03 0.87 -1.64 0.00 0.00 178.16 176.84 2abd h LYS 32 N -0.77 0.15 0.72 1.82 1.79 -0.43 0.44 116.57 120.29 2abd h LYS 32 Ca -0.01 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2abd h LYS 32 Cb 0.77 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2abd h LYS 32 CO -0.28 0.10 -0.37 1.96 -1.08 0.00 0.00 179.45 179.78 2abd h GLN 33 N 0.15 -0.96 -0.99 3.15 1.08 0.38 0.20 115.11 118.12 2abd h GLN 33 Ca 0.30 0.07 0.34 0.00 -1.45 0.00 0.00 58.65 57.90 2abd h GLN 33 Cb 0.46 0.22 -0.16 0.00 -0.05 0.00 0.00 27.48 27.95 2abd h GLN 33 CO -0.46 -0.64 0.49 0.00 -0.95 0.00 0.00 178.83 177.27 2abd h ALA 34 N -1.48 1.89 0.00 3.87 0.00 0.10 -1.80 119.26 121.84 2abd h ALA 34 Ca -0.10 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2abd h ALA 34 Cb 0.77 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2abd h ALA 34 CO 0.15 -0.67 -1.37 0.25 0.00 0.00 0.00 179.25 177.61 2abd n THR 35 N -5.16 1.51 -0.05 0.00 -2.24 0.15 -4.81 114.28 103.66 2abd n THR 35 Ca 0.32 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 62.02 2abd n THR 35 Cb 1.02 -2.24 -0.08 0.00 -2.10 0.00 0.00 70.33 66.93 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 -1.00 1.14 0.00 2.28 2.07 -0.89 -3.51 116.25 116.34 2abd h VAL 36 Ca -0.17 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2abd h VAL 36 Cb 1.14 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2abd h VAL 36 CO -0.10 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.47 2abd n GLY 37 N 1.58 0.07 3.66 2.17 0.00 0.43 -5.00 105.19 108.11 2abd n GLY 37 Ca -0.07 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 6.49 0.00 1.61 1.11 -1.26 -3.46 116.67 117.16 2abd s ASP 38 Ca 0.00 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.34 2abd s ASP 38 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 2abd s ASP 38 CO 0.00 -1.02 0.00 0.00 1.18 0.00 0.00 175.17 175.33 2abd n ILE 39 N 5.42 0.00 -1.67 0.77 3.06 -1.26 -4.86 119.36 120.83 2abd n ILE 39 Ca 0.19 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 60.25 2abd n ILE 39 Cb 0.41 0.00 0.10 0.00 0.54 0.00 0.00 39.64 40.69 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 0.00 4.56 0.00 9.51 3.02 -1.26 -4.70 115.26 126.39 2abd n ASN 40 Ca 0.00 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 2abd n ASN 40 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 -0.91 0.00 0.00 3.41 -2.24 -1.26 -5.15 114.28 108.12 2abd n THR 41 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2abd n THR 41 Cb 0.93 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2abd n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2abd n GLU 42 N -0.08 0.00 -2.27 -0.78 0.28 -1.26 -5.14 120.64 111.39 2abd n GLU 42 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2abd n GLU 42 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2abd s ARG 43 N -2.46 4.43 0.00 3.44 3.52 -1.26 -4.88 118.95 121.74 2abd s ARG 43 Ca 0.00 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 2abd s ARG 43 Cb 0.00 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2abd s ARG 43 CO 0.00 -0.18 0.00 -2.30 -0.81 0.00 0.00 175.30 172.01 2abd n PRO 44 N 2.42 0.00 0.00 5.12 -0.02 -1.26 -5.00 135.00 136.25 2abd n PRO 44 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2abd n PRO 44 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 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 0.00 0.03 0.13 -1.23 0.00 0.18 -4.92 105.19 99.37 2abd n GLY 45 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.41 0.57 -0.66 1.61 2.81 -0.73 -4.91 117.12 115.40 2abd n MET 46 Ca 0.00 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2abd n MET 46 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 2abd n MET 46 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2abd n LEU 47 N -4.31 0.00 0.00 4.03 -0.00 -1.24 -4.90 117.00 110.58 2abd n LEU 47 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 2abd n LEU 47 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.21 2abd n LEU 47 CO 0.08 -0.41 0.00 -0.67 -0.00 0.00 0.00 177.39 176.39 2abd n ASP 48 N -2.45 0.00 -4.36 1.45 -0.08 -1.26 -1.45 116.55 108.40 2abd n ASP 48 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 2abd n ASP 48 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 2abd n ASP 48 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2abd s PHE 49 N -0.04 2.81 0.00 -0.67 -0.12 -1.26 -4.96 117.98 113.74 2abd s PHE 49 Ca 0.00 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 2abd s PHE 49 Cb 0.00 -1.85 0.00 0.00 -0.63 0.00 0.00 43.02 40.54 2abd s PHE 49 CO 0.00 -0.23 0.13 1.63 -0.05 0.00 0.00 175.22 176.69 2abd n LYS 50 N 3.58 0.00 0.00 1.99 4.76 -0.53 -3.84 118.16 124.12 2abd n LYS 50 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2abd n LYS 50 Cb 0.53 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2abd n GLY 51 N -0.26 1.88 0.00 0.72 0.00 -1.26 0.48 105.19 106.75 2abd n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 0.00 0.00 1.61 5.02 -1.25 -1.12 118.16 122.15 2abd n LYS 52 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2abd n LYS 52 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.80 0.00 -0.18 7.82 0.00 -1.26 0.48 120.51 126.56 2abd n ALA 53 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2abd n ALA 53 Cb 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 2abd n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2abd h LYS 54 N 0.00 -0.32 0.45 0.00 1.63 -1.94 0.38 116.57 116.76 2abd h LYS 54 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2abd h LYS 54 Cb 0.00 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2abd h LYS 54 CO 0.00 -0.22 -0.51 2.35 -3.45 0.00 0.00 179.45 177.62 2abd h TRP 55 N -0.34 -1.44 -0.12 1.91 7.01 0.61 -2.80 115.95 120.79 2abd h TRP 55 Ca 0.09 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.15 2abd h TRP 55 Cb 0.57 0.57 -0.06 0.00 -2.10 0.00 0.00 29.16 28.13 2abd h TRP 55 CO -0.78 -0.67 -0.32 -0.44 -2.79 0.00 0.00 178.44 173.44 2abd h ASP 56 N -0.98 -1.00 -0.90 2.65 3.32 0.30 0.25 116.42 120.06 2abd h ASP 56 Ca -0.06 0.14 0.21 0.00 0.02 0.00 0.00 57.03 57.35 2abd h ASP 56 Cb 0.86 0.42 -0.17 0.00 0.22 0.00 0.00 39.33 40.67 2abd h ASP 56 CO -0.10 -0.36 -0.08 0.00 -1.72 0.00 0.00 179.24 176.98 2abd h ALA 57 N 0.40 0.84 0.07 3.45 0.00 -0.15 0.18 119.26 124.05 2abd h ALA 57 Ca 0.09 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2abd h ALA 57 Cb 0.55 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2abd h ALA 57 CO -0.34 -0.46 -0.03 2.35 0.00 0.00 0.00 179.25 180.76 2abd h TRP 58 N 0.03 -0.09 -0.82 0.00 7.01 -1.06 -3.26 115.95 117.76 2abd h TRP 58 Ca 0.49 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.68 2abd h TRP 58 Cb 0.87 0.03 -0.15 0.00 -2.10 0.00 0.00 29.16 27.81 2abd h TRP 58 CO -0.56 0.47 -0.04 -0.97 -2.79 0.00 0.00 178.44 174.55 2abd h ASN 59 N -0.74 -0.47 -1.45 2.65 -1.24 0.11 0.26 115.58 114.69 2abd h ASN 59 Ca -0.01 0.23 0.43 0.00 0.71 0.00 0.00 56.30 57.66 2abd h ASN 59 Cb 0.59 0.41 -0.08 0.00 0.73 0.00 0.00 38.32 39.97 2abd h ASN 59 CO 0.02 -0.24 1.01 -0.33 -1.29 0.00 0.00 177.43 176.60 2abd h GLU 60 N 0.06 0.06 0.11 6.67 4.39 -0.76 0.40 114.58 125.52 2abd h GLU 60 Ca 0.45 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.97 2abd h GLU 60 Cb 0.80 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2abd h GLU 60 CO -0.76 0.04 -0.78 -0.07 -1.16 0.00 0.00 179.01 176.28 2abd h LEU 61 N 0.06 0.37 0.00 1.33 3.38 -0.62 -3.47 115.31 116.37 2abd h LEU 61 Ca 0.75 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2abd h LEU 61 Cb 2.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.37 2abd h LEU 61 CO -0.15 1.37 0.00 1.17 0.09 0.00 0.00 178.44 180.92 2abd n LYS 62 N -4.18 0.00 0.00 1.13 4.81 0.13 -0.91 118.16 119.14 2abd n LYS 62 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2abd n LYS 62 Cb 0.78 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.83 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 63 N 0.00 0.32 3.81 3.14 0.00 -1.26 -4.97 105.19 106.23 2abd n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.75 4.35 0.05 2.61 2.01 -0.09 -4.96 115.64 118.88 2abd s THR 64 Ca 0.00 1.57 -0.32 0.00 0.31 0.00 0.00 61.69 63.25 2abd s THR 64 Cb 0.00 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 2abd s THR 64 CO 0.00 -0.12 1.87 -0.24 -0.69 0.00 0.00 174.62 175.44 2abd n SER 65 N -0.12 3.88 -0.38 3.53 2.88 -1.26 -4.80 113.62 117.35 2abd n SER 65 Ca 0.05 0.97 0.32 0.00 -1.33 0.00 0.00 58.87 58.88 2abd n SER 65 Cb 0.52 -1.49 0.55 0.00 -0.75 0.00 0.00 64.21 63.04 2abd n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2abd n LYS 66 N 6.24 -0.03 -0.04 -1.46 4.76 -1.26 -0.07 118.16 126.29 2abd n LYS 66 Ca 0.20 1.03 -0.15 0.00 -2.87 0.00 0.00 58.31 56.52 2abd n LYS 66 Cb 0.36 -2.02 -0.13 0.00 -1.84 0.00 0.00 35.03 31.40 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2abd h GLU 67 N 0.00 0.07 -0.80 1.97 4.39 -1.90 -0.25 114.58 118.06 2abd h GLU 67 Ca 0.72 -0.09 0.17 0.00 0.34 0.00 0.00 59.36 60.49 2abd h GLU 67 Cb 2.29 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.86 2abd h GLU 67 CO -0.40 0.97 0.30 -0.44 -1.16 0.00 0.00 179.01 178.28 2abd h ASP 68 N -0.79 0.23 0.60 1.42 5.19 -0.84 0.65 116.42 122.88 2abd h ASP 68 Ca -0.02 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2abd h ASP 68 Cb 1.03 0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.67 2abd h ASP 68 CO 0.03 0.04 -0.29 0.00 -3.12 0.00 0.00 179.24 175.90 2abd h ALA 69 N 1.61 -0.94 -0.40 3.45 0.00 -1.20 0.25 119.26 122.03 2abd h ALA 69 Ca 0.46 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2abd h ALA 69 Cb 0.77 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2abd h ALA 69 CO -0.47 -0.88 -0.51 0.52 0.00 0.00 0.00 179.25 177.91 2abd h MET 70 N -1.03 -0.37 0.00 0.00 2.86 0.07 0.45 114.93 116.92 2abd h MET 70 Ca -0.08 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2abd h MET 70 Cb 0.62 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2abd h MET 70 CO 0.13 -0.25 0.00 1.63 1.06 0.00 0.00 176.91 179.49 2abd n LYS 71 N -5.40 0.00 -0.33 1.72 5.02 0.22 -2.36 118.16 117.04 2abd n LYS 71 Ca -0.03 0.72 -0.03 0.00 -2.02 0.00 0.00 58.31 56.95 2abd n LYS 71 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2abd n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd n ALA 72 N -2.43 -0.21 -0.34 7.82 0.00 0.86 0.13 120.51 126.35 2abd n ALA 72 Ca 0.00 0.80 0.11 0.00 0.00 0.00 0.00 53.44 54.35 2abd n ALA 72 Cb 0.00 -0.31 0.23 0.00 0.00 0.00 0.00 19.45 19.37 2abd n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2abd h TYR 73 N 0.00 -0.20 0.08 0.00 3.20 -0.55 0.83 116.97 120.34 2abd h TYR 73 Ca 0.25 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 2abd h TYR 73 Cb 0.46 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2abd h TYR 73 CO -0.77 -0.41 -0.04 0.82 -1.64 0.00 0.00 178.16 176.12 2abd h ILE 74 N 0.01 0.00 -1.45 1.81 2.04 0.08 -0.73 117.51 119.27 2abd h ILE 74 Ca 0.54 -0.72 0.44 0.00 1.00 0.00 0.00 64.86 66.12 2abd h ILE 74 Cb 1.02 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 2abd h ILE 74 CO -0.93 0.00 1.02 0.47 0.00 0.00 0.00 178.15 178.71 2abd n ASP 75 N -4.30 0.06 -0.13 1.72 8.00 0.47 0.71 116.55 123.09 2abd n ASP 75 Ca -0.01 0.92 -0.18 0.00 0.71 0.00 0.00 54.79 56.22 2abd n ASP 75 Cb 0.04 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 2abd n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2abd n LYS 76 N -3.82 0.65 -0.32 -1.24 0.00 0.28 -4.54 118.16 109.18 2abd n LYS 76 Ca 0.35 0.15 0.13 0.00 0.00 0.00 0.00 58.31 58.94 2abd n LYS 76 Cb 1.52 -1.52 0.28 0.00 0.00 0.00 0.00 35.03 35.31 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd h VAL 77 N 0.00 0.13 -0.74 3.15 2.07 0.19 0.15 116.25 121.19 2abd h VAL 77 Ca -0.58 -0.02 0.29 0.00 0.82 0.00 0.00 66.70 67.21 2abd h VAL 77 Cb 1.91 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 31.60 2abd h VAL 77 CO -0.08 0.01 0.33 1.21 0.02 0.00 0.00 177.57 179.06 2abd n GLU 78 N -5.41 -0.05 0.07 1.57 4.07 -1.09 0.24 120.64 120.04 2abd n GLU 78 Ca 0.22 1.04 -0.12 0.00 -0.06 0.00 0.00 57.16 58.24 2abd n GLU 78 Cb 0.72 -1.83 -0.06 0.00 -0.06 0.00 0.00 31.44 30.20 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 -0.14 -0.71 5.31 5.08 -1.00 0.11 114.58 123.22 2abd h GLU 79 Ca 0.60 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.98 2abd h GLU 79 Cb 1.53 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 2abd h GLU 79 CO -0.60 -0.10 0.47 -0.07 -1.00 0.00 0.00 179.01 177.72 2abd h LEU 80 N -0.15 0.81 -2.50 1.33 3.38 0.30 0.42 115.31 118.90 2abd h LEU 80 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2abd h LEU 80 Cb 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2abd h LEU 80 CO -0.04 0.59 0.00 0.50 0.09 0.00 0.00 178.44 179.58 2abd h LYS 81 N 0.96 0.00 0.07 1.13 3.11 -0.06 0.36 116.57 122.14 2abd h LYS 81 Ca 0.26 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.78 2abd h LYS 81 Cb -0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.10 2abd h LYS 81 CO -0.06 0.00 -1.79 1.63 -2.81 0.00 0.00 179.45 176.42 2abd n LYS 82 N -3.79 0.68 0.00 1.90 5.02 0.32 -3.33 118.16 118.96 2abd n LYS 82 Ca -0.03 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.50 2abd n LYS 82 Cb 0.08 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2abd h LYS 83 N -0.36 -0.03 0.00 1.97 3.11 0.05 -3.41 116.57 117.90 2abd h LYS 83 Ca -0.42 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.14 2abd h LYS 83 Cb 1.75 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.95 2abd h LYS 83 CO -0.05 0.39 -1.87 0.66 -2.81 0.00 0.00 179.45 175.77 2abd n TYR 84 N -4.90 0.00 0.00 1.91 4.01 0.11 -5.00 117.16 113.29 2abd n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2abd n TYR 84 Cb 0.22 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 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 1.66 0.10 0.00 2.72 0.00 -0.13 -3.70 105.19 105.84 2abd n GLY 85 Ca -0.36 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.64 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71