#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 0.00 0.00 4.33 -0.06 -1.26 -5.06 117.38 115.33 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2abd n ALA 3 N 0.00 0.00 -0.52 1.69 0.00 -1.26 -0.25 120.51 120.17 2abd n ALA 3 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2abd n ALA 3 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 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 3.59 -0.05 0.00 0.28 -1.26 -4.20 120.64 119.00 2abd n GLU 4 Ca 0.00 -2.78 -0.01 0.00 -0.16 0.00 0.00 57.16 54.21 2abd n GLU 4 Cb 0.00 -1.86 -0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 4.03 0.00 0.00 -1.84 3.57 -1.52 0.43 116.94 121.62 2abd h PHE 5 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2abd h PHE 5 Cb 1.39 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 2abd h PHE 5 CO 0.74 0.00 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.36 2abd h ASP 6 N -0.91 0.00 0.11 0.41 5.19 -0.80 0.30 116.42 120.71 2abd h ASP 6 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2abd h ASP 6 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2abd h ASP 6 CO 0.00 0.01 -0.05 0.50 -3.12 0.00 0.00 179.24 176.58 2abd h LYS 7 N 0.00 -0.14 -0.41 3.56 3.11 -1.72 0.17 116.57 121.14 2abd h LYS 7 Ca -0.00 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 2abd h LYS 7 Cb 0.03 0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 31.20 2abd h LYS 7 CO 0.00 0.19 -0.25 0.00 -2.81 0.00 0.00 179.45 176.59 2abd h ALA 8 N 0.36 0.01 0.08 5.00 0.00 0.26 0.21 119.26 125.17 2abd h ALA 8 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2abd h ALA 8 Cb 0.39 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2abd h ALA 8 CO 0.02 -0.62 -0.37 0.00 0.00 0.00 0.00 179.25 178.28 2abd h ALA 9 N 1.02 -0.62 -0.64 0.00 0.00 -0.37 0.14 119.26 118.79 2abd h ALA 9 Ca 0.19 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.19 2abd h ALA 9 Cb 0.48 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 2abd h ALA 9 CO -0.51 -0.92 -0.06 1.49 0.00 0.00 0.00 179.25 179.25 2abd h GLU 10 N -0.58 0.07 0.04 0.00 4.57 0.89 0.14 114.58 119.72 2abd h GLU 10 Ca 0.04 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2abd h GLU 10 Cb 0.62 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2abd h GLU 10 CO -0.24 0.04 -0.02 0.93 -1.18 0.00 0.00 179.01 178.54 2abd h GLU 11 N 0.07 -0.06 -0.18 1.92 5.08 -0.40 -3.36 114.58 117.65 2abd h GLU 11 Ca 0.33 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2abd h GLU 11 Cb 0.53 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2abd h GLU 11 CO -0.59 0.57 -0.15 -0.24 -1.00 0.00 0.00 179.01 177.61 2abd h VAL 12 N -0.91 0.58 0.00 3.13 3.04 -0.59 -1.95 116.25 119.55 2abd h VAL 12 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2abd h VAL 12 Cb 0.65 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2abd h VAL 12 CO 0.01 0.00 0.12 2.29 -1.01 0.00 0.00 177.57 178.98 2abd n LYS 13 N -5.30 0.00 -0.05 4.17 2.85 0.02 -1.76 118.16 118.09 2abd n LYS 13 Ca -0.02 0.15 -0.05 0.00 -1.05 0.00 0.00 58.31 57.34 2abd n LYS 13 Cb 0.22 -1.62 -0.08 0.00 -0.65 0.00 0.00 35.03 32.90 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2abd n HIS 14 N -1.05 0.00 0.00 5.58 8.25 -0.74 -5.09 115.22 122.17 2abd n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2abd n HIS 14 Cb 0.12 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.42 0.00 0.29 2.41 4.77 -0.72 -4.83 117.00 116.51 2abd n LEU 15 Ca -0.18 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.94 2abd n LEU 15 Cb 0.84 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.81 2abd n LEU 15 CO 0.22 0.00 1.12 0.50 -1.33 0.00 0.00 177.39 177.90 2abd h LYS 16 N 0.00 0.00 -5.85 3.23 3.64 -0.91 -3.43 116.57 113.25 2abd h LYS 16 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 2abd h LYS 16 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 2abd h LYS 16 CO 0.00 0.00 -0.47 0.99 -2.27 0.00 0.00 179.45 177.70 2abd s THR 17 N -4.69 2.14 -0.44 1.00 2.01 -1.25 -5.08 115.64 109.34 2abd s THR 17 Ca -0.05 -1.69 -0.16 0.00 0.31 0.00 0.00 61.69 60.10 2abd s THR 17 Cb 0.15 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.87 2abd s THR 17 CO 0.56 0.00 0.38 -0.54 -0.69 0.00 0.00 174.62 174.34 2abd s LYS 18 N -3.96 3.01 0.67 4.92 1.02 -1.26 -4.96 119.74 119.19 2abd s LYS 18 Ca 0.38 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 2abd s LYS 18 Cb 0.03 -4.03 -0.00 0.00 -0.52 0.00 0.00 37.83 33.31 2abd s LYS 18 CO 0.21 -0.88 1.18 -2.30 -0.92 0.00 0.00 175.35 172.64 2abd n PRO 19 N 5.36 0.86 -1.88 -1.68 -0.02 -1.26 -4.91 135.00 131.47 2abd n PRO 19 Ca -0.10 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 2abd n PRO 19 Cb 0.46 -2.42 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.56 2.46 0.11 3.55 0.00 -1.26 -4.60 121.76 120.47 2abd s ALA 20 Ca 0.79 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 53.63 2abd s ALA 20 Cb -0.37 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 2abd s ALA 20 CO 0.44 -1.37 1.41 0.22 0.00 0.00 0.00 175.76 176.45 2abd h ASP 21 N 0.72 -1.57 -1.15 0.00 1.82 -1.99 0.29 116.42 114.55 2abd h ASP 21 Ca -0.51 0.23 0.36 0.00 -0.39 0.00 0.00 57.03 56.72 2abd h ASP 21 Cb 1.32 0.68 -0.13 0.00 0.68 0.00 0.00 39.33 41.88 2abd h ASP 21 CO 0.54 -0.21 0.72 -0.33 -1.61 0.00 0.00 179.24 178.35 2abd h GLU 22 N -0.09 0.22 0.10 0.28 5.08 -1.97 0.59 114.58 118.80 2abd h GLU 22 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2abd h GLU 22 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2abd h GLU 22 CO -0.63 0.14 -0.05 0.93 -1.00 0.00 0.00 179.01 178.41 2abd h GLU 23 N 0.22 -0.13 -0.79 2.33 5.08 -0.81 0.65 114.58 121.13 2abd h GLU 23 Ca 0.74 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 59.28 2abd h GLU 23 Cb 2.05 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 31.22 2abd h GLU 23 CO -0.44 0.37 0.26 0.52 -1.00 0.00 0.00 179.01 178.72 2abd h MET 24 N -0.86 0.33 0.01 2.33 2.86 0.29 0.17 114.93 120.06 2abd h MET 24 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2abd h MET 24 Cb 0.57 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2abd h MET 24 CO 0.02 0.22 -0.03 -0.07 1.06 0.00 0.00 176.91 178.11 2abd h LEU 25 N 0.34 -0.08 -0.15 1.22 3.38 0.22 0.28 115.31 120.52 2abd h LEU 25 Ca 0.46 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.49 2abd h LEU 25 Cb 0.81 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2abd h LEU 25 CO -0.50 -0.05 -0.38 0.15 0.09 0.00 0.00 178.44 177.75 2abd h PHE 26 N -0.06 -1.08 0.00 1.13 3.57 0.30 0.46 116.94 121.27 2abd h PHE 26 Ca 0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2abd h PHE 26 Cb 0.07 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2abd h PHE 26 CO -0.10 -0.44 0.00 -0.89 -2.23 0.00 0.00 178.31 174.64 2abd n ILE 27 N -5.43 0.00 -0.36 1.41 -0.00 0.27 -1.37 119.36 113.88 2abd n ILE 27 Ca -0.03 1.49 -0.09 0.00 -0.00 0.00 0.00 62.75 64.11 2abd n ILE 27 Cb 0.35 -2.43 -0.08 0.00 -0.00 0.00 0.00 39.64 37.48 2abd n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2abd n TYR 28 N -2.06 -0.35 -0.00 1.39 9.36 0.97 0.72 117.16 127.19 2abd n TYR 28 Ca 0.00 1.08 -0.12 0.00 3.32 0.00 0.00 57.90 62.18 2abd n TYR 28 Cb 0.00 -0.58 -0.05 0.00 -0.63 0.00 0.00 39.34 38.07 2abd n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2abd h SER 29 N 0.00 -1.21 0.17 2.98 4.64 -0.09 0.32 113.55 120.35 2abd h SER 29 Ca 0.15 0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 2abd h SER 29 Cb 0.36 0.50 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2abd h SER 29 CO -0.81 -0.41 -0.46 0.45 -0.87 0.00 0.00 176.83 174.74 2abd h HIS 30 N -0.46 0.42 0.68 4.77 3.86 -0.26 -0.64 115.15 123.52 2abd h HIS 30 Ca 0.08 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2abd h HIS 30 Cb 0.60 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.99 2abd h HIS 30 CO -0.46 0.74 -0.33 -0.92 0.86 0.00 0.00 177.93 177.82 2abd h TYR 31 N 0.28 -0.85 -0.52 2.45 3.20 0.12 0.22 116.97 121.86 2abd h TYR 31 Ca 0.02 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2abd h TYR 31 Cb 0.92 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 39.36 2abd h TYR 31 CO 0.02 -0.50 -0.27 0.87 -1.64 0.00 0.00 178.16 176.65 2abd h LYS 32 N -1.10 -0.14 0.47 1.82 1.79 -0.34 0.36 116.57 119.44 2abd h LYS 32 Ca -0.09 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2abd h LYS 32 Cb 0.74 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2abd h LYS 32 CO 0.15 -0.09 -0.35 1.96 -1.08 0.00 0.00 179.45 180.04 2abd h GLN 33 N -0.14 -0.78 -0.95 3.15 1.08 -0.92 0.38 115.11 116.93 2abd h GLN 33 Ca 0.23 0.05 0.28 0.00 -1.45 0.00 0.00 58.65 57.76 2abd h GLN 33 Cb 0.51 0.18 -0.17 0.00 -0.05 0.00 0.00 27.48 27.95 2abd h GLN 33 CO -0.61 -0.52 0.18 0.00 -0.95 0.00 0.00 178.83 176.93 2abd h ALA 34 N -0.40 1.35 0.00 3.87 0.00 0.89 -2.42 119.26 122.55 2abd h ALA 34 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2abd h ALA 34 Cb 0.68 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2abd h ALA 34 CO 0.01 -0.59 -0.90 0.25 0.00 0.00 0.00 179.25 178.01 2abd n THR 35 N -5.36 1.39 -0.04 0.00 -2.24 0.11 -4.75 114.28 103.39 2abd n THR 35 Ca 0.25 0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 62.07 2abd n THR 35 Cb 0.81 -2.29 -0.11 0.00 -2.10 0.00 0.00 70.33 66.64 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 -0.93 1.45 0.00 2.28 2.07 -0.54 -3.51 116.25 117.08 2abd h VAL 36 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2abd h VAL 36 Cb 0.90 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2abd h VAL 36 CO 0.00 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.64 2abd n GLY 37 N 1.19 0.02 3.58 2.17 0.00 0.74 -4.98 105.19 107.91 2abd n GLY 37 Ca -0.09 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 5.63 0.00 1.61 1.11 -1.26 -3.45 116.67 116.30 2abd s ASP 38 Ca 0.00 0.81 0.00 0.00 0.18 0.00 0.00 52.55 53.54 2abd s ASP 38 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 2abd s ASP 38 CO 0.00 -2.01 0.00 0.00 1.18 0.00 0.00 175.17 174.34 2abd n ILE 39 N 7.30 0.00 -2.00 0.77 3.06 -1.26 -4.83 119.36 122.39 2abd n ILE 39 Ca 0.21 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.43 2abd n ILE 39 Cb 0.49 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.78 2abd n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2abd n ASN 40 N 0.00 2.41 -0.12 9.51 0.23 -1.26 -4.66 115.26 121.37 2abd n ASN 40 Ca 0.00 -3.33 -0.21 0.00 -0.53 0.00 0.00 54.58 50.50 2abd n ASN 40 Cb 0.00 -0.43 -0.10 0.00 -2.08 0.00 0.00 39.78 37.17 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2abd n THR 41 N -0.67 1.37 0.00 5.53 -2.24 -1.26 -5.11 114.28 111.89 2abd n THR 41 Ca 0.22 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2abd n THR 41 Cb 0.86 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2abd n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2abd n GLU 42 N -3.62 0.00 -2.90 -0.78 1.02 -1.26 -5.08 120.64 108.02 2abd n GLU 42 Ca -0.45 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.28 2abd n GLU 42 Cb 0.90 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.28 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2abd s ARG 43 N -3.11 4.51 0.60 3.49 3.52 -1.26 -4.98 118.95 121.71 2abd s ARG 43 Ca 0.00 1.14 -0.18 0.00 -0.13 0.00 0.00 55.73 56.56 2abd s ARG 43 Cb 0.00 -3.44 -0.11 0.00 -1.56 0.00 0.00 34.95 29.84 2abd s ARG 43 CO 0.00 0.06 0.13 -2.30 -0.81 0.00 0.00 175.30 172.38 2abd n PRO 44 N 3.62 0.21 -0.24 5.12 -0.02 -1.26 -5.00 135.00 137.44 2abd n PRO 44 Ca 0.01 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2abd n PRO 44 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 2.22 0.01 0.00 -1.23 0.00 -1.26 -4.88 105.19 100.06 2abd n GLY 45 Ca 0.09 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2abd n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2abd n MET 46 N -0.68 0.00 -0.52 1.61 0.00 -1.26 -1.56 117.12 114.71 2abd n MET 46 Ca 0.00 0.13 0.09 0.00 -0.00 0.00 0.00 57.70 57.92 2abd n MET 46 Cb 0.00 -0.21 0.32 0.00 0.00 0.00 0.00 33.22 33.34 2abd n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2abd n LEU 47 N -1.81 4.22 -4.67 -0.89 4.77 -1.26 -4.95 117.00 112.41 2abd n LEU 47 Ca 0.00 -2.12 -0.42 0.00 -0.03 0.00 0.00 56.01 53.43 2abd n LEU 47 Cb 0.00 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2abd n LEU 47 CO 0.00 0.78 1.33 -1.81 -1.33 0.00 0.00 177.39 176.36 2abd s ASP 48 N -0.89 6.68 -0.00 -1.43 1.11 -0.60 -4.87 116.67 116.68 2abd s ASP 48 Ca 0.46 2.24 -0.00 0.00 0.18 0.00 0.00 52.55 55.44 2abd s ASP 48 Cb 0.29 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.74 2abd s ASP 48 CO 0.24 -0.90 -0.00 0.49 1.18 0.00 0.00 175.17 176.18 2abd n PHE 49 N 6.74 0.00 -0.44 4.23 3.72 -1.26 -4.73 117.46 125.72 2abd n PHE 49 Ca 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.54 2abd n PHE 49 Cb 0.43 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 2abd n PHE 49 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2abd n LYS 50 N -2.54 0.87 0.00 -1.08 -0.00 -1.26 -3.95 118.16 110.21 2abd n LYS 50 Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 2abd n LYS 50 Cb 0.01 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 51 N 1.95 -0.12 0.00 2.58 0.00 -1.26 -4.94 105.19 103.39 2abd n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.27 0.00 -0.06 1.61 5.02 -1.25 -1.40 118.16 119.80 2abd n LYS 52 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 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 -2.37 -0.10 0.19 7.82 0.00 -1.26 0.96 120.51 125.74 2abd n ALA 53 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 2abd n ALA 53 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.63 -0.35 0.00 6.56 -1.62 0.36 116.57 120.89 2abd h LYS 54 Ca 0.02 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2abd h LYS 54 Cb 0.06 0.14 -0.09 0.00 -0.57 0.00 0.00 32.23 31.78 2abd h LYS 54 CO -0.14 -0.42 -0.43 2.35 -2.06 0.00 0.00 179.45 178.75 2abd h TRP 55 N -0.65 -1.26 0.36 -1.35 7.01 0.44 -1.42 115.95 119.08 2abd h TRP 55 Ca -0.01 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2abd h TRP 55 Cb 0.61 0.60 -0.03 0.00 -2.10 0.00 0.00 29.16 28.24 2abd h TRP 55 CO -0.21 -0.45 -0.42 -0.44 -2.79 0.00 0.00 178.44 174.13 2abd h ASP 56 N -0.36 -1.16 -0.63 2.65 3.32 -0.15 0.39 116.42 120.48 2abd h ASP 56 Ca 0.12 0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.41 2abd h ASP 56 Cb 0.59 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 2abd h ASP 56 CO -0.54 -0.56 0.02 0.00 -1.72 0.00 0.00 179.24 176.44 2abd h ALA 57 N -0.46 0.64 0.12 3.45 0.00 0.07 0.34 119.26 123.42 2abd h ALA 57 Ca -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2abd h ALA 57 Cb 0.74 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2abd h ALA 57 CO -0.10 -0.39 -0.06 2.35 0.00 0.00 0.00 179.25 181.06 2abd h TRP 58 N 0.13 -0.15 -0.79 0.00 7.01 -0.74 -2.87 115.95 118.53 2abd h TRP 58 Ca 0.33 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.50 2abd h TRP 58 Cb 0.54 0.05 -0.11 0.00 -2.10 0.00 0.00 29.16 27.53 2abd h TRP 58 CO -0.36 0.08 0.25 -0.97 -2.79 0.00 0.00 178.44 174.66 2abd h ASN 59 N -0.37 0.12 -1.18 2.65 -1.24 0.12 0.32 115.58 116.00 2abd h ASN 59 Ca -0.02 0.15 0.34 0.00 0.71 0.00 0.00 56.30 57.48 2abd h ASN 59 Cb 0.30 0.17 -0.09 0.00 0.73 0.00 0.00 38.32 39.44 2abd h ASN 59 CO 0.03 -0.02 0.79 -0.08 -1.29 0.00 0.00 177.43 176.86 2abd h GLU 60 N 0.32 0.19 0.00 6.67 4.81 -0.15 -1.66 114.58 124.76 2abd h GLU 60 Ca 0.46 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2abd h GLU 60 Cb 0.81 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2abd h GLU 60 CO -0.51 0.13 -0.00 -0.07 -0.73 0.00 0.00 179.01 177.82 2abd h LEU 61 N 0.20 -0.00 0.00 1.64 3.38 -0.37 -3.47 115.31 116.69 2abd h LEU 61 Ca 0.64 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2abd h LEU 61 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2abd h LEU 61 CO -0.22 0.77 0.00 1.17 0.09 0.00 0.00 178.44 180.25 2abd n LYS 62 N -4.69 0.00 0.00 1.13 0.00 -0.63 0.41 118.16 114.39 2abd n LYS 62 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.25 2abd n LYS 62 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 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 0.00 1.56 3.77 3.14 0.00 -1.26 -4.99 105.19 107.41 2abd n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2abd n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2abd s THR 64 N -0.92 2.89 0.69 2.61 -1.32 0.17 -4.95 115.64 114.81 2abd s THR 64 Ca 0.00 0.78 -0.14 0.00 -1.21 0.00 0.00 61.69 61.12 2abd s THR 64 Cb 0.00 -3.45 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 2abd s THR 64 CO 0.00 0.10 1.11 -0.94 -2.21 0.00 0.00 174.62 172.68 2abd s SER 65 N -0.92 4.93 0.50 8.08 1.04 -1.26 -4.72 113.70 121.34 2abd s SER 65 Ca 0.56 1.98 0.29 0.00 0.48 0.00 0.00 55.95 59.26 2abd s SER 65 Cb -0.34 -2.55 1.38 0.00 0.10 0.00 0.00 66.02 64.61 2abd s SER 65 CO 0.44 -1.75 1.84 0.11 0.98 0.00 0.00 173.24 174.86 2abd h LYS 66 N -0.24 0.13 0.38 4.02 1.57 -1.85 0.14 116.57 120.71 2abd h LYS 66 Ca -0.46 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2abd h LYS 66 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2abd h LYS 66 CO 0.53 0.08 -0.18 0.93 -0.57 0.00 0.00 179.45 180.24 2abd h GLU 67 N 0.13 -0.49 -0.89 3.15 4.39 -1.88 0.17 114.58 119.17 2abd h GLU 67 Ca 0.50 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.41 2abd h GLU 67 Cb 1.75 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 30.40 2abd h GLU 67 CO -0.09 -0.20 0.46 -0.44 -1.16 0.00 0.00 179.01 177.59 2abd h ASP 68 N -1.01 0.52 0.80 1.42 3.32 -1.27 0.88 116.42 121.08 2abd h ASP 68 Ca -0.05 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2abd h ASP 68 Cb 0.52 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2abd h ASP 68 CO 0.09 0.17 -0.39 0.00 -1.72 0.00 0.00 179.24 177.39 2abd h ALA 69 N 1.62 -1.23 0.44 3.45 0.00 -0.79 0.23 119.26 122.98 2abd h ALA 69 Ca 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2abd h ALA 69 Cb 0.82 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2abd h ALA 69 CO -0.41 -1.15 -0.44 0.52 0.00 0.00 0.00 179.25 177.76 2abd h MET 70 N -1.13 -0.85 0.00 0.00 2.86 0.40 0.78 114.93 117.00 2abd h MET 70 Ca -0.11 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2abd h MET 70 Cb 0.83 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2abd h MET 70 CO 0.18 -0.57 0.00 1.63 1.06 0.00 0.00 176.91 179.22 2abd n LYS 71 N -5.08 0.00 -0.26 1.72 5.02 0.30 -0.55 118.16 119.31 2abd n LYS 71 Ca -0.10 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 2abd n LYS 71 Cb 0.40 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 2abd n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd h ALA 72 N -1.04 -0.37 -1.04 7.82 0.00 -0.42 0.60 119.26 124.81 2abd h ALA 72 Ca 0.00 0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.34 2abd h ALA 72 Cb 0.00 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2abd h ALA 72 CO 0.00 -0.86 0.62 -0.92 0.00 0.00 0.00 179.25 178.09 2abd h TYR 73 N -0.18 0.87 0.00 0.00 3.20 0.14 0.26 116.97 121.26 2abd h TYR 73 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2abd h TYR 73 Cb 0.55 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2abd h TYR 73 CO -0.79 -0.10 -0.33 0.82 -1.64 0.00 0.00 178.16 176.12 2abd h ILE 74 N 0.36 0.00 -1.67 1.81 1.08 0.14 -2.63 117.51 116.59 2abd h ILE 74 Ca 0.71 -0.67 0.50 0.00 -0.39 0.00 0.00 64.86 65.01 2abd h ILE 74 Cb 1.66 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.33 2abd h ILE 74 CO -0.52 0.00 1.18 0.47 -0.69 0.00 0.00 178.15 178.59 2abd n ASP 75 N -3.84 0.05 -0.10 1.72 8.00 0.19 0.77 116.55 123.33 2abd n ASP 75 Ca -0.05 0.99 -0.13 0.00 0.71 0.00 0.00 54.79 56.31 2abd n ASP 75 Cb 0.17 -0.49 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.92 0.68 -0.27 -1.24 0.00 0.90 -4.43 118.16 109.86 2abd n LYS 76 Ca 0.40 0.07 0.08 0.00 0.00 0.00 0.00 58.31 58.86 2abd n LYS 76 Cb 1.74 -1.54 0.22 0.00 0.00 0.00 0.00 35.03 35.45 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 0.42 -0.92 3.15 2.07 0.75 0.44 116.25 122.17 2abd h VAL 77 Ca -0.54 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.14 2abd h VAL 77 Cb 2.11 0.17 -0.17 0.00 -1.52 0.00 0.00 31.29 31.87 2abd h VAL 77 CO -0.00 0.04 -0.02 1.21 0.02 0.00 0.00 177.57 178.82 2abd n GLU 78 N -5.20 -0.07 -0.04 1.57 4.07 -1.06 0.13 120.64 120.04 2abd n GLU 78 Ca 0.17 1.38 -0.10 0.00 -0.06 0.00 0.00 57.16 58.55 2abd n GLU 78 Cb 0.54 -2.18 -0.04 0.00 -0.06 0.00 0.00 31.44 29.71 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 -0.36 -0.93 5.31 4.39 -0.39 0.19 114.58 122.79 2abd h GLU 79 Ca 0.54 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.30 2abd h GLU 79 Cb 1.08 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 2abd h GLU 79 CO -0.87 -0.24 0.61 -0.07 -1.16 0.00 0.00 179.01 177.27 2abd h LEU 80 N -0.38 1.00 -2.11 1.33 3.38 0.11 0.42 115.31 119.05 2abd h LEU 80 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2abd h LEU 80 Cb 0.57 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2abd h LEU 80 CO -0.43 0.68 -0.07 0.50 0.09 0.00 0.00 178.44 179.21 2abd h LYS 81 N 1.15 0.00 0.00 1.13 3.64 0.12 0.48 116.57 123.08 2abd h LYS 81 Ca 0.37 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.45 2abd h LYS 81 Cb 0.04 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2abd h LYS 81 CO -0.12 0.07 -1.67 1.63 -2.27 0.00 0.00 179.45 177.10 2abd n LYS 82 N -3.56 0.57 -0.09 1.90 5.02 0.49 -3.21 118.16 119.29 2abd n LYS 82 Ca -0.02 0.48 -0.11 0.00 -2.02 0.00 0.00 58.31 56.63 2abd n LYS 82 Cb 0.19 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.00 0.48 0.00 1.97 1.63 -0.21 -3.40 116.57 116.03 2abd h LYS 83 Ca -0.46 -0.17 -0.27 0.00 -0.85 0.00 0.00 60.65 58.90 2abd h LYS 83 Cb 1.40 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.95 2abd h LYS 83 CO -0.28 0.67 -1.87 0.66 -3.45 0.00 0.00 179.45 175.18 2abd n TYR 84 N -4.58 0.00 -1.44 1.91 4.01 0.14 -4.99 117.16 112.21 2abd n TYR 84 Ca -0.04 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.90 2abd n TYR 84 Cb 0.28 -0.61 -0.06 0.00 -0.31 0.00 0.00 39.34 38.64 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 1.91 -2.25 0.00 2.72 0.00 0.16 -3.78 105.19 103.94 2abd n GLY 85 Ca -0.33 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 44.71 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71