#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 1.17 0.00 -1.46 2.00 -1.26 -5.19 119.66 114.92 2abd s GLN 2 Ca 0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 2abd s GLN 2 Cb 0.00 0.54 0.00 0.00 0.80 0.00 0.00 33.01 34.35 2abd s GLN 2 CO 0.00 -0.45 0.00 0.00 -0.50 0.00 0.00 175.29 174.34 2abd n ALA 3 N 0.24 0.00 0.87 1.58 0.00 -1.26 -5.01 120.51 116.92 2abd n ALA 3 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2abd n ALA 3 Cb 0.61 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.12 2.33 -0.27 0.00 0.28 -1.26 -4.60 120.64 116.99 2abd n GLU 4 Ca 0.00 -1.98 0.03 0.00 -0.16 0.00 0.00 57.16 55.05 2abd n GLU 4 Cb 0.00 -1.47 0.08 0.00 1.43 0.00 0.00 31.44 31.49 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2abd n PHE 5 N 1.36 0.20 -0.14 -1.84 7.35 -1.26 0.19 117.46 123.32 2abd n PHE 5 Ca 0.15 0.91 -0.01 0.00 -0.76 0.00 0.00 57.45 57.74 2abd n PHE 5 Cb 0.60 -0.89 0.23 0.00 0.35 0.00 0.00 39.48 39.77 2abd n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2abd h ASP 6 N 0.00 0.76 -0.24 -2.13 3.32 -1.98 0.42 116.42 116.58 2abd h ASP 6 Ca 0.33 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2abd h ASP 6 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2abd h ASP 6 CO -0.76 0.67 0.15 0.50 -1.72 0.00 0.00 179.24 178.09 2abd h LYS 7 N 0.83 0.30 0.20 3.56 1.63 0.17 0.19 116.57 123.45 2abd h LYS 7 Ca 0.20 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2abd h LYS 7 Cb 0.15 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 2abd h LYS 7 CO -0.02 0.20 -0.39 0.00 -3.45 0.00 0.00 179.45 175.79 2abd h ALA 8 N 1.09 -0.73 -0.89 5.00 0.00 0.58 0.11 119.26 124.42 2abd h ALA 8 Ca 0.09 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2abd h ALA 8 Cb -0.02 0.62 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 2abd h ALA 8 CO -0.03 -0.96 0.23 0.00 0.00 0.00 0.00 179.25 178.48 2abd h ALA 9 N -0.17 1.30 -0.01 0.00 0.00 0.52 0.29 119.26 121.19 2abd h ALA 9 Ca 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2abd h ALA 9 Cb 0.67 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2abd h ALA 9 CO -0.18 -0.50 -0.01 0.93 0.00 0.00 0.00 179.25 179.49 2abd h GLU 10 N 0.18 0.02 -0.77 0.00 4.39 0.65 -3.03 114.58 116.02 2abd h GLU 10 Ca 0.57 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.21 2abd h GLU 10 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 2abd h GLU 10 CO -0.69 0.58 0.32 0.93 -1.16 0.00 0.00 179.01 178.99 2abd h GLU 11 N -0.53 1.14 -0.55 2.33 5.08 0.36 -2.55 114.58 119.85 2abd h GLU 11 Ca 0.00 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2abd h GLU 11 Cb 0.58 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2abd h GLU 11 CO 0.00 0.91 0.28 -0.24 -1.00 0.00 0.00 179.01 178.97 2abd h VAL 12 N 1.11 0.95 0.00 3.13 3.04 -0.55 0.17 116.25 124.11 2abd h VAL 12 Ca 0.26 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 2abd h VAL 12 Cb 0.19 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2abd h VAL 12 CO -0.02 0.10 0.00 2.29 -1.01 0.00 0.00 177.57 178.93 2abd n LYS 13 N -4.86 0.81 0.00 4.17 2.85 -0.97 -3.09 118.16 117.06 2abd n LYS 13 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2abd n LYS 13 Cb 0.15 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 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 -0.34 0.00 -0.01 5.58 8.25 0.24 -5.08 115.22 123.85 2abd n HIS 14 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2abd n HIS 14 Cb 0.05 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.19 0.00 -0.24 2.41 4.77 0.35 -4.70 117.00 117.41 2abd n LEU 15 Ca 0.00 0.01 0.22 0.00 -0.03 0.00 0.00 56.01 56.21 2abd n LEU 15 Cb 0.46 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.93 2abd n LEU 15 CO 0.00 -0.01 0.70 0.29 -1.33 0.00 0.00 177.39 177.04 2abd n LYS 16 N 0.02 -0.03 -3.89 3.23 4.76 0.21 -4.43 118.16 118.04 2abd n LYS 16 Ca 0.00 0.83 -0.24 0.00 -2.87 0.00 0.00 58.31 56.04 2abd n LYS 16 Cb 0.00 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.60 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 -4.83 2.26 -1.02 -0.18 2.01 -1.18 -5.01 115.64 107.69 2abd s THR 17 Ca -0.05 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 2abd s THR 17 Cb 0.21 -2.79 0.25 0.00 0.01 0.00 0.00 72.50 70.18 2abd s THR 17 CO 0.50 0.00 1.01 -0.75 -0.69 0.00 0.00 174.62 174.69 2abd s LYS 18 N -4.07 4.00 0.21 4.92 2.20 -1.26 -4.94 119.74 120.79 2abd s LYS 18 Ca 0.41 -2.93 -0.09 0.00 -0.36 0.00 0.00 55.97 53.00 2abd s LYS 18 Cb -0.00 -4.54 -0.07 0.00 -1.51 0.00 0.00 37.83 31.71 2abd s LYS 18 CO 0.24 -1.29 -0.00 -2.30 -0.36 0.00 0.00 175.35 171.64 2abd n PRO 19 N 3.29 0.00 -1.69 4.03 -0.02 -1.26 -4.75 135.00 134.59 2abd n PRO 19 Ca 0.21 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 2abd n PRO 19 Cb 0.42 -0.47 -0.02 0.00 -0.02 0.00 0.00 33.50 33.41 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2abd n ALA 20 N -0.59 1.39 -0.33 3.55 0.00 -1.26 -4.67 120.51 118.60 2abd n ALA 20 Ca 0.05 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 2abd n ALA 20 Cb 0.21 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 2abd n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2abd h ASP 21 N 3.68 -1.75 -1.44 0.00 5.19 -1.99 0.69 116.42 120.80 2abd h ASP 21 Ca -0.46 0.29 0.45 0.00 -0.62 0.00 0.00 57.03 56.70 2abd h ASP 21 Cb 1.27 0.81 -0.11 0.00 0.18 0.00 0.00 39.33 41.48 2abd h ASP 21 CO 0.71 -0.29 0.96 -0.33 -3.12 0.00 0.00 179.24 177.17 2abd h GLU 22 N -0.10 0.06 0.03 3.56 5.08 -1.97 0.67 114.58 121.91 2abd h GLU 22 Ca 0.21 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2abd h GLU 22 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2abd h GLU 22 CO -0.86 0.04 -0.01 0.93 -1.00 0.00 0.00 179.01 178.11 2abd h GLU 23 N 0.07 -0.04 -0.89 2.33 5.08 -1.21 0.25 114.58 120.17 2abd h GLU 23 Ca 0.83 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 59.37 2abd h GLU 23 Cb 2.78 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.93 2abd h GLU 23 CO -0.31 0.65 0.45 0.52 -1.00 0.00 0.00 179.01 179.31 2abd h MET 24 N -0.79 0.55 0.24 2.33 2.86 0.18 0.29 114.93 120.59 2abd h MET 24 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2abd h MET 24 Cb 0.70 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2abd h MET 24 CO 0.01 0.36 -0.12 -0.07 1.06 0.00 0.00 176.91 178.15 2abd h LEU 25 N 0.56 -0.27 -0.30 1.22 3.38 0.21 0.21 115.31 120.32 2abd h LEU 25 Ca 0.52 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.51 2abd h LEU 25 Cb 0.85 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2abd h LEU 25 CO -0.43 -0.16 -0.56 0.15 0.09 0.00 0.00 178.44 177.54 2abd h PHE 26 N -0.36 -1.68 0.00 1.13 3.57 0.29 0.52 116.94 120.41 2abd h PHE 26 Ca -0.03 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2abd h PHE 26 Cb 0.27 0.77 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2abd h PHE 26 CO -0.05 -0.51 -0.16 0.82 -2.23 0.00 0.00 178.31 176.18 2abd h ILE 27 N -0.47 0.00 -0.41 1.41 5.03 -0.72 -1.03 117.51 121.32 2abd h ILE 27 Ca 0.06 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.84 2abd h ILE 27 Cb 0.63 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.35 2abd h ILE 27 CO -0.54 0.00 -0.42 0.22 -0.68 0.00 0.00 178.15 176.73 2abd h TYR 28 N -0.20 -1.30 -0.54 1.37 3.20 0.04 0.53 116.97 120.08 2abd h TYR 28 Ca 0.00 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.02 2abd h TYR 28 Cb 0.21 0.62 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 2abd h TYR 28 CO -0.40 -0.34 -0.49 0.66 -1.64 0.00 0.00 178.16 175.94 2abd h SER 29 N -0.22 -1.68 0.20 -2.11 4.64 0.09 0.20 113.55 114.67 2abd h SER 29 Ca 0.07 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 2abd h SER 29 Cb 0.41 0.73 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2abd h SER 29 CO -0.50 -0.36 -0.10 0.45 -0.87 0.00 0.00 176.83 175.45 2abd h HIS 30 N -0.28 -0.25 -0.78 4.77 3.86 -0.91 -1.73 115.15 119.83 2abd h HIS 30 Ca 0.14 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 2abd h HIS 30 Cb 0.57 0.08 -0.10 0.00 1.06 0.00 0.00 27.41 29.02 2abd h HIS 30 CO -0.74 -0.02 -0.49 -0.92 0.86 0.00 0.00 177.93 176.62 2abd h TYR 31 N -0.45 -1.56 -0.55 2.45 3.20 0.11 0.72 116.97 120.90 2abd h TYR 31 Ca -0.03 0.10 0.11 0.00 3.14 0.00 0.00 58.73 62.05 2abd h TYR 31 Cb 0.34 0.78 -0.09 0.00 1.54 0.00 0.00 36.73 39.31 2abd h TYR 31 CO -0.01 -0.32 0.04 0.87 -1.64 0.00 0.00 178.16 177.10 2abd h LYS 32 N -0.03 0.16 0.62 1.82 1.79 -0.59 0.22 116.57 120.56 2abd h LYS 32 Ca 0.13 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2abd h LYS 32 Cb 0.36 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2abd h LYS 32 CO -0.75 0.10 -0.44 1.96 -1.08 0.00 0.00 179.45 179.24 2abd h GLN 33 N 0.16 -0.98 -0.75 3.15 1.08 0.11 0.24 115.11 118.12 2abd h GLN 33 Ca 0.28 0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.62 2abd h GLN 33 Cb 0.43 0.22 -0.09 0.00 -0.05 0.00 0.00 27.48 27.98 2abd h GLN 33 CO -0.43 -0.65 -0.43 0.00 -0.95 0.00 0.00 178.83 176.37 2abd n ALA 34 N -2.69 -0.43 -0.02 3.87 0.00 0.13 0.58 120.51 121.95 2abd n ALA 34 Ca -0.12 0.65 -0.04 0.00 0.00 0.00 0.00 53.44 53.93 2abd n ALA 34 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2abd n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2abd h THR 35 N 0.00 0.40 0.00 0.00 1.35 -0.61 -3.43 112.91 110.62 2abd h THR 35 Ca 0.14 -1.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2abd h THR 35 Cb 0.33 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2abd h THR 35 CO -0.71 0.13 -0.45 0.58 -0.25 0.00 0.00 175.52 174.81 2abd h VAL 36 N -1.00 0.01 0.00 6.82 2.07 -0.81 -3.51 116.25 119.83 2abd h VAL 36 Ca -0.01 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2abd h VAL 36 Cb 0.26 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2abd h VAL 36 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2abd n GLY 37 N 1.63 0.17 3.44 2.17 0.00 0.20 -4.97 105.19 107.84 2abd n GLY 37 Ca -0.07 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.29 -4.56 1.61 9.92 -1.26 -3.36 116.55 117.61 2abd n ASP 38 Ca 0.00 0.79 -0.22 0.00 -0.53 0.00 0.00 54.79 54.83 2abd n ASP 38 Cb 0.00 -1.11 -0.06 0.00 -0.64 0.00 0.00 41.12 39.30 2abd n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2abd s ILE 39 N -1.67 3.29 -0.69 0.53 2.07 -1.26 -4.66 121.20 118.82 2abd s ILE 39 Ca 0.65 -0.29 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 2abd s ILE 39 Cb -0.51 -3.74 0.43 0.00 0.13 0.00 0.00 42.46 38.77 2abd s ILE 39 CO 0.57 -0.60 2.04 0.59 -1.91 0.00 0.00 174.94 175.63 2abd n ASN 40 N 15.87 7.67 0.00 4.50 3.02 -1.26 -4.79 115.26 140.27 2abd n ASN 40 Ca 0.43 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 2abd n ASN 40 Cb 0.46 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 -0.83 0.00 -4.17 3.41 -2.24 -1.26 -5.17 114.28 104.01 2abd n THR 41 Ca 0.61 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.22 2abd n THR 41 Cb 0.59 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.70 2abd n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2abd s GLU 42 N 1.27 0.73 -0.47 -0.78 2.02 -1.26 -5.11 118.70 115.10 2abd s GLU 42 Ca 0.00 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.91 2abd s GLU 42 Cb 0.00 -0.66 0.03 0.00 0.10 0.00 0.00 34.13 33.60 2abd s GLU 42 CO 0.00 0.15 1.00 0.50 0.02 0.00 0.00 175.26 176.92 2abd s ARG 43 N -1.48 3.58 0.65 1.61 3.52 -1.26 -4.96 118.95 120.61 2abd s ARG 43 Ca -0.04 0.27 -0.17 0.00 -0.13 0.00 0.00 55.73 55.67 2abd s ARG 43 Cb -0.09 -3.93 -0.10 0.00 -1.56 0.00 0.00 34.95 29.27 2abd s ARG 43 CO 0.01 -1.29 0.16 -2.30 -0.81 0.00 0.00 175.30 171.07 2abd n PRO 44 N 7.41 0.21 0.00 5.12 -0.02 -1.26 -4.99 135.00 141.47 2abd n PRO 44 Ca 0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2abd n PRO 44 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.17 0.11 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.03 2abd n GLY 45 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2abd n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2abd n MET 46 N -0.98 3.10 -1.61 1.61 0.00 -1.26 -4.94 117.12 113.05 2abd n MET 46 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 2abd n MET 46 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2abd n MET 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2abd n LEU 47 N 0.00 7.19 -0.11 3.17 0.00 -1.26 -4.16 117.00 121.83 2abd n LEU 47 Ca 0.00 -4.14 -0.21 0.00 0.00 0.00 0.00 56.01 51.66 2abd n LEU 47 Cb 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 43.42 41.72 2abd n LEU 47 CO 0.00 1.27 -1.23 -0.90 0.00 0.00 0.00 177.39 176.53 2abd n ASP 48 N 5.57 1.78 0.00 1.96 5.75 -1.26 -4.97 116.55 125.38 2abd n ASP 48 Ca 0.58 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2abd n ASP 48 Cb 0.35 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 2abd n ASP 48 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2abd n PHE 49 N -3.74 0.00 -1.83 2.11 3.72 -1.26 -2.67 117.46 113.79 2abd n PHE 49 Ca -0.41 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.61 2abd n PHE 49 Cb 0.83 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.41 2abd n PHE 49 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2abd n LYS 50 N 0.00 2.81 -0.02 -1.08 4.81 -1.26 -4.33 118.16 119.08 2abd n LYS 50 Ca 0.00 -3.56 -0.07 0.00 -0.87 0.00 0.00 58.31 53.81 2abd n LYS 50 Cb 0.00 -2.27 -0.02 0.00 0.02 0.00 0.00 35.03 32.75 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 51 N -0.63 -0.22 0.29 3.14 0.00 -1.09 -4.52 105.19 102.17 2abd n GLY 51 Ca 0.55 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.63 2abd n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2abd h LYS 52 N -0.40 0.00 -0.16 1.61 3.11 -1.86 -2.77 116.57 116.11 2abd h LYS 52 Ca -0.11 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.76 2abd h LYS 52 Cb 0.72 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.90 2abd h LYS 52 CO -0.06 0.05 -0.43 0.00 -2.81 0.00 0.00 179.45 176.19 2abd h ALA 53 N 1.95 -0.76 -0.90 5.00 0.00 -1.79 0.63 119.26 123.39 2abd h ALA 53 Ca -0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.10 2abd h ALA 53 Cb 0.17 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 2abd h ALA 53 CO 0.01 -0.93 0.03 0.87 0.00 0.00 0.00 179.25 179.23 2abd h LYS 54 N -0.41 0.06 0.23 0.00 1.79 -1.78 0.39 116.57 116.84 2abd h LYS 54 Ca 0.03 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2abd h LYS 54 Cb 0.51 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 2abd h LYS 54 CO -0.37 0.04 -0.38 2.35 -1.08 0.00 0.00 179.45 180.01 2abd h TRP 55 N 0.07 -1.08 0.01 -1.35 7.01 -0.09 0.30 115.95 120.82 2abd h TRP 55 Ca 0.52 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.56 2abd h TRP 55 Cb 1.02 0.44 -0.03 0.00 -2.10 0.00 0.00 29.16 28.49 2abd h TRP 55 CO -0.46 -0.46 -0.14 -0.44 -2.79 0.00 0.00 178.44 174.15 2abd h ASP 56 N -0.64 -0.41 -0.89 2.65 3.32 0.13 0.49 116.42 121.06 2abd h ASP 56 Ca -0.03 0.06 0.23 0.00 0.02 0.00 0.00 57.03 57.31 2abd h ASP 56 Cb 0.60 0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.19 2abd h ASP 56 CO -0.13 -0.20 0.35 0.00 -1.72 0.00 0.00 179.24 177.55 2abd h ALA 57 N 0.70 1.41 0.07 3.45 0.00 -0.07 0.27 119.26 125.09 2abd h ALA 57 Ca 0.05 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2abd h ALA 57 Cb 0.30 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2abd h ALA 57 CO -0.13 -0.40 -0.03 2.35 0.00 0.00 0.00 179.25 181.04 2abd h TRP 58 N 0.33 -0.09 -0.96 0.00 7.01 0.03 -3.28 115.95 119.00 2abd h TRP 58 Ca 0.57 -0.00 0.30 0.00 2.11 0.00 0.00 58.89 61.87 2abd h TRP 58 Cb 1.11 0.03 -0.16 0.00 -2.10 0.00 0.00 29.16 28.04 2abd h TRP 58 CO -0.17 0.50 0.35 -0.97 -2.79 0.00 0.00 178.44 175.36 2abd h ASN 59 N -0.83 0.12 -0.93 2.65 -1.24 0.12 0.64 115.58 116.11 2abd h ASN 59 Ca -0.01 0.22 0.19 0.00 0.71 0.00 0.00 56.30 57.42 2abd h ASN 59 Cb 0.62 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.86 2abd h ASN 59 CO 0.02 -0.24 0.60 -0.08 -1.29 0.00 0.00 177.43 176.44 2abd h GLU 60 N 0.16 0.51 0.00 6.67 4.81 -0.58 -2.36 114.58 123.80 2abd h GLU 60 Ca 0.67 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.83 2abd h GLU 60 Cb 1.51 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 2abd h GLU 60 CO -0.71 0.34 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.60 2abd h LEU 61 N 0.52 0.01 0.00 1.64 3.38 0.13 -3.47 115.31 117.52 2abd h LEU 61 Ca 0.49 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2abd h LEU 61 Cb 1.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2abd h LEU 61 CO -0.23 1.09 0.00 1.17 0.09 0.00 0.00 178.44 180.57 2abd n LYS 62 N -4.57 0.00 0.00 1.13 0.00 -0.35 0.54 118.16 114.91 2abd n LYS 62 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.17 2abd n LYS 62 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 1.28 3.67 3.14 0.00 -1.26 -4.95 105.19 107.07 2abd n GLY 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2abd n GLY 63 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2abd n THR 64 N 0.00 2.87 -1.77 2.61 5.66 0.19 -4.89 114.28 118.95 2abd n THR 64 Ca 0.00 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.17 2abd n THR 64 Cb 0.00 -1.41 0.05 0.00 -1.55 0.00 0.00 70.33 67.42 2abd n THR 64 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2abd s SER 65 N -0.75 5.13 0.48 1.09 0.15 -1.26 -4.77 113.70 113.77 2abd s SER 65 Ca 0.65 2.00 0.25 0.00 0.70 0.00 0.00 55.95 59.56 2abd s SER 65 Cb -0.49 -2.55 1.29 0.00 -1.71 0.00 0.00 66.02 62.56 2abd s SER 65 CO 0.55 -1.62 1.86 0.11 1.20 0.00 0.00 173.24 175.34 2abd h LYS 66 N 0.06 0.19 0.08 5.44 1.57 -1.82 0.16 116.57 122.26 2abd h LYS 66 Ca -0.47 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 2abd h LYS 66 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2abd h LYS 66 CO 0.54 0.13 -0.84 0.93 -0.57 0.00 0.00 179.45 179.64 2abd h GLU 67 N 0.20 0.17 -0.90 3.15 4.39 -1.88 -0.40 114.58 119.30 2abd h GLU 67 Ca 0.47 -0.29 0.17 0.00 0.34 0.00 0.00 59.36 60.05 2abd h GLU 67 Cb 1.50 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.16 2abd h GLU 67 CO -0.10 1.14 0.47 -0.44 -1.16 0.00 0.00 179.01 178.92 2abd h ASP 68 N -0.59 0.55 0.68 1.42 3.32 -1.27 0.62 116.42 121.16 2abd h ASP 68 Ca -0.18 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2abd h ASP 68 Cb 1.47 0.02 0.01 0.00 0.22 0.00 0.00 39.33 41.05 2abd h ASP 68 CO 0.04 0.19 -0.33 0.00 -1.72 0.00 0.00 179.24 177.42 2abd h ALA 69 N 1.61 -0.91 0.46 3.45 0.00 -0.85 0.14 119.26 123.16 2abd h ALA 69 Ca 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2abd h ALA 69 Cb 0.81 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2abd h ALA 69 CO -0.40 -0.93 -0.33 0.52 0.00 0.00 0.00 179.25 178.10 2abd h MET 70 N -1.09 -0.75 0.00 0.00 2.86 0.01 -0.20 114.93 115.75 2abd h MET 70 Ca -0.09 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2abd h MET 70 Cb 0.73 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2abd h MET 70 CO 0.15 -0.50 0.00 1.63 1.06 0.00 0.00 176.91 179.25 2abd n LYS 71 N -5.46 0.00 -0.24 1.72 4.76 0.21 -0.98 118.16 118.17 2abd n LYS 71 Ca -0.11 0.74 -0.06 0.00 -2.87 0.00 0.00 58.31 56.00 2abd n LYS 71 Cb 0.36 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 2abd n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2abd n ALA 72 N -2.43 -0.36 -0.02 7.82 0.00 0.48 -0.09 120.51 125.91 2abd n ALA 72 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 2abd n ALA 72 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 2abd n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2abd n TYR 73 N -4.39 -0.02 0.18 0.00 9.36 -0.09 0.63 117.16 122.83 2abd n TYR 73 Ca 0.01 0.06 -0.11 0.00 3.32 0.00 0.00 57.90 61.19 2abd n TYR 73 Cb 0.15 -0.49 -0.06 0.00 -0.63 0.00 0.00 39.34 38.31 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 -1.44 2.97 2.04 0.30 0.16 117.51 121.54 2abd h ILE 74 Ca 0.01 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.31 2abd h ILE 74 Cb 0.02 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 2abd h ILE 74 CO -0.05 0.00 1.00 0.47 0.00 0.00 0.00 178.15 179.57 2abd n ASP 75 N -4.11 0.07 -0.07 1.72 8.00 0.87 0.12 116.55 123.15 2abd n ASP 75 Ca -0.07 0.97 -0.11 0.00 0.71 0.00 0.00 54.79 56.28 2abd n ASP 75 Cb 0.27 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 40.74 2abd n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2abd n LYS 76 N -3.92 0.67 -0.25 -1.24 4.01 0.20 -4.33 118.16 113.30 2abd n LYS 76 Ca 0.36 0.12 -0.00 0.00 -0.51 0.00 0.00 58.31 58.28 2abd n LYS 76 Cb 1.53 -1.62 0.12 0.00 -0.51 0.00 0.00 35.03 34.55 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2abd h VAL 77 N 0.00 0.94 -0.28 -0.18 2.07 0.39 0.35 116.25 119.54 2abd h VAL 77 Ca -0.46 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2abd h VAL 77 Cb 2.13 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2abd h VAL 77 CO 0.04 0.13 0.30 -0.33 0.02 0.00 0.00 177.57 177.72 2abd h GLU 78 N 0.71 0.00 0.15 1.57 4.39 -1.68 0.57 114.58 120.29 2abd h GLU 78 Ca 0.33 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2abd h GLU 78 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2abd h GLU 78 CO -0.21 0.00 -0.07 0.93 -1.16 0.00 0.00 179.01 178.50 2abd h GLU 79 N 0.00 -0.20 -0.27 2.33 5.08 -0.60 -2.40 114.58 118.52 2abd h GLU 79 Ca 0.13 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2abd h GLU 79 Cb 0.72 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 2abd h GLU 79 CO -0.00 0.22 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.03 2abd h LEU 80 N -0.90 -0.44 -1.77 1.33 3.38 0.47 0.41 115.31 117.79 2abd h LEU 80 Ca -0.02 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2abd h LEU 80 Cb 0.51 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2abd h LEU 80 CO 0.03 -0.17 0.43 0.50 0.09 0.00 0.00 178.44 179.32 2abd h LYS 81 N -0.09 0.00 0.02 1.13 3.64 0.01 0.75 116.57 122.03 2abd h LYS 81 Ca 0.14 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.17 2abd h LYS 81 Cb 0.31 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2abd h LYS 81 CO -0.33 0.00 -1.97 1.17 -2.27 0.00 0.00 179.45 176.04 2abd n LYS 82 N -2.93 0.61 -0.20 1.90 4.81 0.11 -1.75 118.16 120.71 2abd n LYS 82 Ca -0.01 0.37 -0.09 0.00 -0.87 0.00 0.00 58.31 57.71 2abd n LYS 82 Cb 0.48 -1.62 0.02 0.00 0.02 0.00 0.00 35.03 33.92 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2abd h LYS 83 N -0.71 0.93 0.00 1.64 3.64 0.64 -3.38 116.57 119.32 2abd h LYS 83 Ca -0.51 -0.25 -0.40 0.00 -1.27 0.00 0.00 60.65 58.21 2abd h LYS 83 Cb 1.60 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.25 2abd h LYS 83 CO -0.23 0.89 -2.38 0.66 -2.27 0.00 0.00 179.45 176.13 2abd n TYR 84 N -4.34 0.00 0.00 1.91 4.01 0.25 -5.03 117.16 113.96 2abd n TYR 84 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2abd n TYR 84 Cb 0.27 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 1.69 2.72 0.86 2.72 0.00 -0.72 -3.07 105.19 109.38 2abd n GLY 85 Ca -0.47 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 43.85 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83