#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 0.87 0.00 1.43 10.64 -1.26 -5.15 117.38 123.92 2abd n GLN 2 Ca 0.00 -0.34 0.00 0.00 -1.83 0.00 0.00 57.00 54.83 2abd n GLN 2 Cb 0.00 -0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.34 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 -2.94 0.00 -0.82 2.61 0.00 -1.26 -4.95 120.51 113.15 2abd n ALA 3 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2abd n ALA 3 Cb 0.07 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.91 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 4.74 -0.34 0.00 0.00 -1.26 -4.56 120.64 119.21 2abd n GLU 4 Ca 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 57.16 54.14 2abd n GLU 4 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 31.44 29.29 2abd n GLU 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2abd h PHE 5 N 3.86 -0.77 0.00 -1.84 3.57 -1.92 1.34 116.94 121.19 2abd h PHE 5 Ca 0.00 0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2abd h PHE 5 Cb 1.92 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 41.13 2abd h PHE 5 CO 1.05 -0.40 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.13 2abd h ASP 6 N -0.02 0.00 -0.16 0.41 3.32 -1.96 0.21 116.42 118.22 2abd h ASP 6 Ca 0.39 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.24 2abd h ASP 6 Cb 0.64 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.20 2abd h ASP 6 CO -0.95 0.15 -0.68 0.50 -1.72 0.00 0.00 179.24 176.54 2abd h LYS 7 N 0.00 0.75 0.33 3.56 3.64 0.12 0.30 116.57 125.26 2abd h LYS 7 Ca -0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2abd h LYS 7 Cb 0.29 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2abd h LYS 7 CO 0.02 1.20 -0.39 0.00 -2.27 0.00 0.00 179.45 178.02 2abd h ALA 8 N 0.55 -0.81 -0.45 5.00 0.00 0.16 0.32 119.26 124.02 2abd h ALA 8 Ca -0.04 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2abd h ALA 8 Cb 1.31 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.58 2abd h ALA 8 CO 0.14 -1.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.11 2abd h ALA 9 N -0.33 -0.05 -0.80 0.00 0.00 -0.51 0.28 119.26 117.85 2abd h ALA 9 Ca -0.02 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2abd h ALA 9 Cb 0.70 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 2abd h ALA 9 CO -0.10 -0.66 0.32 1.49 0.00 0.00 0.00 179.25 180.31 2abd h GLU 10 N -0.19 0.42 0.02 0.00 4.81 0.59 -0.05 114.58 120.17 2abd h GLU 10 Ca 0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2abd h GLU 10 Cb 0.51 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2abd h GLU 10 CO -0.56 0.28 -0.01 0.93 -0.73 0.00 0.00 179.01 178.92 2abd h GLU 11 N 0.43 -0.02 -0.88 1.92 5.08 0.12 -3.33 114.58 117.89 2abd h GLU 11 Ca 0.45 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 59.02 2abd h GLU 11 Cb 0.74 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 2abd h GLU 11 CO -0.44 0.67 0.40 -0.24 -1.00 0.00 0.00 179.01 178.40 2abd h VAL 12 N -0.97 0.52 0.00 3.13 3.04 -0.30 0.24 116.25 121.92 2abd h VAL 12 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2abd h VAL 12 Cb 0.70 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2abd h VAL 12 CO 0.00 0.08 0.00 0.29 -1.01 0.00 0.00 177.57 176.93 2abd n LYS 13 N -5.01 0.14 -0.02 4.17 4.76 -0.05 -3.16 118.16 118.99 2abd n LYS 13 Ca 0.21 0.59 -0.01 0.00 -2.87 0.00 0.00 58.31 56.23 2abd n LYS 13 Cb 0.61 -1.93 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2abd n HIS 14 N -2.23 0.00 0.00 2.13 8.25 0.76 -5.09 115.22 119.04 2abd n HIS 14 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2abd n HIS 14 Cb 0.07 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.09 0.00 -0.58 2.41 4.77 -0.59 -4.69 117.00 116.22 2abd n LEU 15 Ca -0.08 0.00 0.46 0.00 -0.03 0.00 0.00 56.01 56.36 2abd n LEU 15 Cb 0.55 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.41 2abd n LEU 15 CO 0.15 0.00 1.40 0.11 -1.33 0.00 0.00 177.39 177.72 2abd h LYS 16 N 0.00 0.02 -5.88 3.23 1.57 0.40 -3.40 116.57 112.52 2abd h LYS 16 Ca 0.00 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2abd h LYS 16 Cb 0.00 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 2abd h LYS 16 CO 0.00 0.01 -0.58 0.99 -0.57 0.00 0.00 179.45 179.31 2abd s THR 17 N -4.99 2.33 -0.43 -0.16 2.01 -1.25 -5.07 115.64 108.08 2abd s THR 17 Ca -0.06 -1.90 -0.16 0.00 0.31 0.00 0.00 61.69 59.88 2abd s THR 17 Cb 0.27 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.90 2abd s THR 17 CO 0.86 -0.08 0.40 -0.75 -0.69 0.00 0.00 174.62 174.37 2abd s LYS 18 N -3.77 3.04 1.03 4.92 2.20 -1.26 -4.94 119.74 120.96 2abd s LYS 18 Ca 0.37 -0.94 -0.13 0.00 -0.36 0.00 0.00 55.97 54.91 2abd s LYS 18 Cb 0.04 -4.01 0.15 0.00 -1.51 0.00 0.00 37.83 32.50 2abd s LYS 18 CO 0.20 -0.87 0.72 -2.30 -0.36 0.00 0.00 175.35 172.74 2abd n PRO 19 N 5.45 -1.12 -2.93 4.03 -0.02 -1.26 -4.99 135.00 134.16 2abd n PRO 19 Ca -0.09 -0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 60.82 2abd n PRO 19 Cb 0.47 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.45 3.45 0.06 3.55 0.00 -1.26 -4.88 121.76 120.24 2abd s ALA 20 Ca 0.63 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 2abd s ALA 20 Cb -0.21 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 2abd s ALA 20 CO 0.64 -0.07 1.27 -0.44 0.00 0.00 0.00 175.76 177.15 2abd h ASP 21 N 0.95 -0.93 -1.00 0.00 5.19 -1.97 -0.21 116.42 118.46 2abd h ASP 21 Ca -0.47 0.12 0.37 0.00 -0.62 0.00 0.00 57.03 56.43 2abd h ASP 21 Cb 1.20 0.38 -0.18 0.00 0.18 0.00 0.00 39.33 40.91 2abd h ASP 21 CO 0.63 -0.20 0.38 -0.62 -3.12 0.00 0.00 179.24 176.31 2abd n GLU 22 N -4.02 -0.07 0.09 3.56 4.71 -1.26 0.14 120.64 123.79 2abd n GLU 22 Ca -0.02 1.42 -0.11 0.00 -0.01 0.00 0.00 57.16 58.44 2abd n GLU 22 Cb 0.17 -2.45 -0.07 0.00 -1.01 0.00 0.00 31.44 28.08 2abd n GLU 22 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2abd h GLU 23 N 0.00 -0.28 -0.40 3.49 5.08 -1.83 -0.38 114.58 120.26 2abd h GLU 23 Ca 0.77 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 59.27 2abd h GLU 23 Cb 1.93 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 2abd h GLU 23 CO -0.82 0.09 0.30 0.52 -1.00 0.00 0.00 179.01 178.10 2abd h MET 24 N -0.90 0.00 0.41 2.33 2.86 0.11 0.20 114.93 119.94 2abd h MET 24 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2abd h MET 24 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2abd h MET 24 CO 0.05 0.00 -0.20 -0.07 1.06 0.00 0.00 176.91 177.75 2abd h LEU 25 N 0.00 -0.46 -0.06 1.22 3.38 0.14 0.36 115.31 119.89 2abd h LEU 25 Ca 0.19 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2abd h LEU 25 Cb 0.78 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2abd h LEU 25 CO -0.00 -0.17 -0.33 0.15 0.09 0.00 0.00 178.44 178.18 2abd h PHE 26 N -0.76 -0.97 -0.08 1.13 3.57 0.10 0.51 116.94 120.43 2abd h PHE 26 Ca -0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2abd h PHE 26 Cb 0.53 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2abd h PHE 26 CO -0.00 -0.33 -0.17 0.82 -2.23 0.00 0.00 178.31 176.39 2abd h ILE 27 N -0.37 0.00 -0.19 1.41 5.03 -0.86 -0.10 117.51 122.44 2abd h ILE 27 Ca 0.02 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.79 2abd h ILE 27 Cb 0.42 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.15 2abd h ILE 27 CO -0.25 0.00 -0.47 0.22 -0.68 0.00 0.00 178.15 176.97 2abd h TYR 28 N -0.16 -1.41 -0.42 1.37 3.20 -0.07 0.71 116.97 120.19 2abd h TYR 28 Ca 0.02 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2abd h TYR 28 Cb 0.20 0.64 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 2abd h TYR 28 CO -0.56 -0.45 -0.55 0.66 -1.64 0.00 0.00 178.16 175.61 2abd h SER 29 N -0.45 -1.85 0.14 -2.11 4.64 0.14 0.31 113.55 114.37 2abd h SER 29 Ca 0.04 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2abd h SER 29 Cb 0.56 0.76 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2abd h SER 29 CO -0.42 -0.40 -0.07 0.45 -0.87 0.00 0.00 176.83 175.52 2abd h HIS 30 N -0.39 -0.18 -0.20 4.77 3.86 -0.84 -1.68 115.15 120.50 2abd h HIS 30 Ca 0.08 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2abd h HIS 30 Cb 0.59 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 2abd h HIS 30 CO -0.73 0.11 -0.25 -0.92 0.86 0.00 0.00 177.93 177.00 2abd h TYR 31 N -0.47 -0.77 -0.90 2.45 3.20 0.94 0.41 116.97 121.84 2abd h TYR 31 Ca -0.02 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.12 2abd h TYR 31 Cb 0.37 0.36 -0.13 0.00 1.54 0.00 0.00 36.73 38.87 2abd h TYR 31 CO 0.02 -0.21 0.36 0.87 -1.64 0.00 0.00 178.16 177.55 2abd h LYS 32 N -0.16 0.33 0.45 1.82 1.79 -0.46 0.20 116.57 120.54 2abd h LYS 32 Ca 0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2abd h LYS 32 Cb 0.26 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2abd h LYS 32 CO -0.28 0.22 -0.21 1.96 -1.08 0.00 0.00 179.45 180.05 2abd h GLN 33 N 0.34 -0.58 -0.74 3.15 1.08 0.36 0.22 115.11 118.94 2abd h GLN 33 Ca 0.57 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.96 2abd h GLN 33 Cb 1.12 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.58 2abd h GLN 33 CO -0.57 -0.28 0.24 0.00 -0.95 0.00 0.00 178.83 177.27 2abd h ALA 34 N -0.42 1.01 0.00 3.87 0.00 0.11 -2.51 119.26 121.32 2abd h ALA 34 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2abd h ALA 34 Cb 0.56 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2abd h ALA 34 CO 0.10 -0.28 -0.09 1.79 0.00 0.00 0.00 179.25 180.77 2abd h THR 35 N 0.35 0.00 0.02 0.00 1.35 -0.71 -3.45 112.91 110.47 2abd h THR 35 Ca 0.42 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2abd h THR 35 Cb 0.68 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2abd h THR 35 CO -0.46 0.00 -0.01 0.58 -0.25 0.00 0.00 175.52 175.38 2abd h VAL 36 N -0.38 0.77 0.00 6.82 2.07 -1.40 -3.51 116.25 120.63 2abd h VAL 36 Ca 0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2abd h VAL 36 Cb 0.09 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2abd h VAL 36 CO 0.00 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2abd n GLY 37 N 1.60 0.06 3.68 2.17 0.00 0.68 -5.01 105.19 108.38 2abd n GLY 37 Ca -0.05 -1.71 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 2abd n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2abd n ASP 38 N 0.00 3.45 -1.69 1.61 9.92 -1.26 -3.64 116.55 124.93 2abd n ASP 38 Ca 0.00 1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 55.11 2abd n ASP 38 Cb 0.00 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 38.98 2abd n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2abd n ILE 39 N 4.28 0.00 -1.65 0.53 3.06 -1.26 -4.87 119.36 119.44 2abd n ILE 39 Ca 0.19 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.30 2abd n ILE 39 Cb 0.31 -0.19 0.13 0.00 0.54 0.00 0.00 39.64 40.43 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 3.68 3.82 0.00 9.51 3.02 -1.26 -4.73 115.26 129.30 2abd n ASN 40 Ca 0.24 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 2abd n ASN 40 Cb 0.00 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.96 0.00 0.00 3.41 -2.24 -1.26 -5.15 114.28 108.08 2abd n THR 41 Ca 0.39 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2abd n THR 41 Cb 0.92 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.52 0.00 -2.68 -0.78 0.28 -1.26 -5.08 120.64 110.60 2abd n GLU 42 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 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 -2.67 3.44 0.36 3.44 3.52 -1.26 -4.88 118.95 120.90 2abd s ARG 43 Ca 0.00 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.49 2abd s ARG 43 Cb 0.00 -4.03 -0.12 0.00 -1.56 0.00 0.00 34.95 29.23 2abd s ARG 43 CO 0.00 -1.62 -0.00 -2.30 -0.81 0.00 0.00 175.30 170.57 2abd n PRO 44 N 8.09 0.00 -0.66 5.12 -0.02 -1.26 -4.93 135.00 141.34 2abd n PRO 44 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2abd n PRO 44 Cb 0.48 -0.81 0.21 0.00 -0.02 0.00 0.00 33.50 33.37 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 1.94 4.67 4.01 -1.23 0.00 -1.26 -4.97 105.19 108.34 2abd n GLY 45 Ca 0.08 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 2abd n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2abd s MET 46 N -3.11 2.73 -1.22 1.61 -1.94 -1.26 -4.97 119.30 111.14 2abd s MET 46 Ca 0.43 -1.32 -0.05 0.00 -1.71 0.00 0.00 55.69 53.04 2abd s MET 46 Cb 0.38 -2.72 0.13 0.00 2.01 0.00 0.00 34.83 34.63 2abd s MET 46 CO 0.02 -0.36 2.39 -0.11 -0.01 0.00 0.00 175.02 176.95 2abd n LEU 47 N -1.89 7.86 -4.52 -0.03 0.00 -1.26 -4.85 117.00 112.30 2abd n LEU 47 Ca 0.09 -4.84 -0.24 0.00 0.00 0.00 0.00 56.01 51.02 2abd n LEU 47 Cb 0.60 -1.34 -0.09 0.00 0.00 0.00 0.00 43.42 42.59 2abd n LEU 47 CO 0.39 2.03 -0.43 -0.62 0.00 0.00 0.00 177.39 178.76 2abd s ASP 48 N 0.26 3.86 0.00 1.96 2.15 -1.26 -5.04 116.67 118.59 2abd s ASP 48 Ca 0.54 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2abd s ASP 48 Cb 0.21 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 2abd s ASP 48 CO -0.11 0.01 0.00 0.49 -0.17 0.00 0.00 175.17 175.39 2abd n PHE 49 N -0.71 0.00 0.01 -5.34 3.01 -1.26 -4.79 117.46 108.39 2abd n PHE 49 Ca -0.05 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.44 2abd n PHE 49 Cb 0.60 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.97 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2abd n LYS 50 N -0.76 0.64 0.00 -1.08 5.02 -1.26 -3.94 118.16 116.78 2abd n LYS 50 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2abd n LYS 50 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 1.38 -0.24 0.00 0.72 0.00 -1.26 -4.14 105.19 101.65 2abd n GLY 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.80 0.00 -0.38 1.61 4.76 -1.26 0.36 118.16 121.44 2abd n LYS 52 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2abd n LYS 52 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2abd n ALA 53 N -2.87 -0.51 -0.16 7.82 0.00 -1.25 -0.04 120.51 123.50 2abd n ALA 53 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 2abd n ALA 53 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 0.03 0.00 6.56 -0.29 0.30 116.57 123.00 2abd h LYS 54 Ca 0.18 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.80 2abd h LYS 54 Cb 0.41 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 2abd h LYS 54 CO -0.88 -0.11 -0.47 2.35 -2.06 0.00 0.00 179.45 178.28 2abd h TRP 55 N -0.17 -1.34 -0.11 -1.35 7.01 -0.52 -1.48 115.95 118.00 2abd h TRP 55 Ca 0.22 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.28 2abd h TRP 55 Cb 0.52 0.58 -0.02 0.00 -2.10 0.00 0.00 29.16 28.14 2abd h TRP 55 CO -0.56 -0.54 -0.03 -0.44 -2.79 0.00 0.00 178.44 174.09 2abd h ASP 56 N -0.64 -0.11 -1.00 2.65 3.32 0.16 0.36 116.42 121.16 2abd h ASP 56 Ca 0.03 0.03 0.20 0.00 0.02 0.00 0.00 57.03 57.31 2abd h ASP 56 Cb 0.70 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.21 2abd h ASP 56 CO -0.32 -0.04 0.61 0.00 -1.72 0.00 0.00 179.24 177.77 2abd h ALA 57 N 1.10 1.74 0.00 3.45 0.00 -0.08 0.29 119.26 125.76 2abd h ALA 57 Ca 0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2abd h ALA 57 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2abd h ALA 57 CO -0.11 -0.12 -0.00 2.35 0.00 0.00 0.00 179.25 181.37 2abd h TRP 58 N 0.71 -0.01 -0.77 0.00 7.01 -0.50 -3.30 115.95 119.10 2abd h TRP 58 Ca 0.58 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.76 2abd h TRP 58 Cb 0.97 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.91 2abd h TRP 58 CO -0.00 0.86 0.15 -0.97 -2.79 0.00 0.00 178.44 175.69 2abd h ASN 59 N -0.96 -0.08 -0.99 2.65 -1.24 0.32 0.33 115.58 115.61 2abd h ASN 59 Ca -0.00 0.17 0.35 0.00 0.71 0.00 0.00 56.30 57.53 2abd h ASN 59 Cb 0.87 0.25 -0.16 0.00 0.73 0.00 0.00 38.32 40.01 2abd h ASN 59 CO 0.00 -0.10 0.52 -0.08 -1.29 0.00 0.00 177.43 176.48 2abd h GLU 60 N 0.21 0.18 0.04 6.67 4.81 -0.53 -0.69 114.58 125.27 2abd h GLU 60 Ca 0.45 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 2abd h GLU 60 Cb 0.81 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.15 2abd h GLU 60 CO -0.58 0.12 -0.25 -0.07 -0.73 0.00 0.00 179.01 177.50 2abd h LEU 61 N 0.18 0.15 0.00 1.64 3.38 -0.49 -3.47 115.31 116.70 2abd h LEU 61 Ca 0.76 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2abd h LEU 61 Cb 1.84 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2abd h LEU 61 CO -0.68 1.11 0.00 1.17 0.09 0.00 0.00 178.44 180.12 2abd n LYS 62 N -4.47 0.00 0.00 1.13 4.81 -0.27 -0.38 118.16 118.99 2abd n LYS 62 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2abd n LYS 62 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 0.66 3.77 3.14 0.00 -1.26 -4.93 105.19 106.57 2abd n GLY 63 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.29 3.03 -0.87 2.61 2.01 0.49 -4.83 115.64 116.79 2abd s THR 64 Ca 0.00 0.77 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 2abd s THR 64 Cb 0.00 -3.39 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 2abd s THR 64 CO 0.00 -0.01 2.22 -0.94 -0.69 0.00 0.00 174.62 175.20 2abd s SER 65 N -1.33 4.28 0.00 3.53 1.04 -1.26 -4.75 113.70 115.21 2abd s SER 65 Ca 0.64 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2abd s SER 65 Cb -0.29 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2abd s SER 65 CO 0.36 -3.58 0.00 0.29 0.98 0.00 0.00 173.24 171.29 2abd n LYS 66 N 8.75 0.00 -0.10 4.02 5.02 -1.26 0.31 118.16 134.90 2abd n LYS 66 Ca 0.44 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 2abd n LYS 66 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.43 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2abd h GLU 67 N 0.00 0.44 0.09 1.97 4.39 -1.88 -2.38 114.58 117.22 2abd h GLU 67 Ca 0.00 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2abd h GLU 67 Cb 0.00 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2abd h GLU 67 CO 0.00 0.44 -0.31 -0.44 -1.16 0.00 0.00 179.01 177.54 2abd h ASP 68 N 0.34 -0.90 -0.88 1.42 3.32 -0.51 0.19 116.42 119.41 2abd h ASP 68 Ca 0.10 0.11 0.20 0.00 0.02 0.00 0.00 57.03 57.46 2abd h ASP 68 Cb 0.16 0.35 -0.16 0.00 0.22 0.00 0.00 39.33 39.89 2abd h ASP 68 CO -0.01 -0.39 -0.09 0.00 -1.72 0.00 0.00 179.24 177.02 2abd h ALA 69 N 0.16 0.80 0.57 3.45 0.00 -1.63 0.40 119.26 123.01 2abd h ALA 69 Ca 0.04 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2abd h ALA 69 Cb 0.56 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2abd h ALA 69 CO -0.20 -0.45 -0.28 0.52 0.00 0.00 0.00 179.25 178.85 2abd h MET 70 N 0.03 -0.74 -0.24 0.00 2.86 -0.75 -0.10 114.93 115.99 2abd h MET 70 Ca 0.47 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.19 2abd h MET 70 Cb 0.82 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.60 2abd h MET 70 CO -0.85 -0.45 -0.42 1.57 1.06 0.00 0.00 176.91 177.83 2abd h LYS 71 N -1.13 -0.33 -0.54 1.72 2.10 -0.30 -0.71 116.57 117.39 2abd h LYS 71 Ca -0.08 0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 2abd h LYS 71 Cb 0.64 0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.96 2abd h LYS 71 CO 0.13 -0.22 -0.45 0.00 -2.00 0.00 0.00 179.45 176.90 2abd h ALA 72 N -0.44 -0.57 -0.80 0.07 0.00 -0.30 0.18 119.26 117.39 2abd h ALA 72 Ca 0.04 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2abd h ALA 72 Cb 0.47 1.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.30 2abd h ALA 72 CO -0.41 -0.84 -0.35 0.98 0.00 0.00 0.00 179.25 178.64 2abd n TYR 73 N -4.80 -0.06 0.26 0.00 9.36 -0.05 0.50 117.16 122.37 2abd n TYR 73 Ca -0.01 0.99 -0.11 0.00 3.32 0.00 0.00 57.90 62.09 2abd n TYR 73 Cb 0.24 -0.75 -0.05 0.00 -0.63 0.00 0.00 39.34 38.15 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 -1.79 2.97 2.04 -0.18 0.51 117.51 121.06 2abd h ILE 74 Ca 0.25 -0.43 0.52 0.00 1.00 0.00 0.00 64.86 66.19 2abd h ILE 74 Cb 0.45 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 2abd h ILE 74 CO -0.79 0.00 1.32 0.47 0.00 0.00 0.00 178.15 179.16 2abd n ASP 75 N -5.12 0.00 -0.13 1.72 8.00 0.51 -0.09 116.55 121.44 2abd n ASP 75 Ca -0.09 0.91 -0.25 0.00 0.71 0.00 0.00 54.79 56.07 2abd n ASP 75 Cb 0.28 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.74 0.61 -0.28 -1.24 0.00 0.18 -4.51 118.16 109.18 2abd n LYS 76 Ca 0.40 0.22 0.21 0.00 0.00 0.00 0.00 58.31 59.15 2abd n LYS 76 Cb 1.86 -1.51 0.40 0.00 0.00 0.00 0.00 35.03 35.78 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd n VAL 77 N -3.87 -0.36 -0.32 3.15 0.31 0.87 -0.30 118.33 117.82 2abd n VAL 77 Ca -0.51 1.81 0.29 0.00 -0.01 0.00 0.00 64.34 65.92 2abd n VAL 77 Cb 0.93 -2.80 0.52 0.00 -0.91 0.00 0.00 33.84 31.58 2abd n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2abd n GLU 78 N -5.07 -0.04 0.24 5.55 -0.58 -1.06 0.15 120.64 119.83 2abd n GLU 78 Ca 0.27 1.11 -0.16 0.00 -0.42 0.00 0.00 57.16 57.96 2abd n GLU 78 Cb 0.91 -2.06 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2abd h GLU 79 N 0.00 -0.62 -0.46 3.49 4.39 -0.97 -1.98 114.58 118.42 2abd h GLU 79 Ca 0.72 0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.47 2abd h GLU 79 Cb 2.07 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.84 2abd h GLU 79 CO -0.54 -0.41 0.30 -0.07 -1.16 0.00 0.00 179.01 177.13 2abd h LEU 80 N -0.65 0.52 -2.17 1.33 3.38 0.12 0.36 115.31 118.20 2abd h LEU 80 Ca -0.04 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2abd h LEU 80 Cb 0.54 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2abd h LEU 80 CO 0.03 0.38 0.25 0.50 0.09 0.00 0.00 178.44 179.69 2abd h LYS 81 N 0.62 0.00 0.00 1.13 3.64 -0.56 0.29 116.57 121.69 2abd h LYS 81 Ca 0.17 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.12 2abd h LYS 81 Cb -0.06 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 2abd h LYS 81 CO -0.04 0.00 -2.45 1.63 -2.27 0.00 0.00 179.45 176.31 2abd n LYS 82 N -3.80 0.61 -0.18 1.90 5.02 -0.61 -2.64 118.16 118.47 2abd n LYS 82 Ca 0.03 0.24 -0.08 0.00 -2.02 0.00 0.00 58.31 56.48 2abd n LYS 82 Cb 0.38 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.67 0.73 0.00 1.97 3.64 -0.13 -3.36 116.57 118.76 2abd h LYS 83 Ca -0.64 -0.11 -0.27 0.00 -1.27 0.00 0.00 60.65 58.36 2abd h LYS 83 Cb 1.70 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.35 2abd h LYS 83 CO -0.30 0.61 -1.90 0.66 -2.27 0.00 0.00 179.45 176.25 2abd n TYR 84 N -4.60 0.02 0.00 1.91 4.01 0.92 -5.00 117.16 114.42 2abd n TYR 84 Ca 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2abd n TYR 84 Cb 0.12 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 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 1.34 -2.02 0.03 2.72 0.00 -0.55 -3.82 105.19 102.90 2abd n GLY 85 Ca -0.38 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83