#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 2.93 0.00 -1.46 10.64 -1.26 -5.11 117.38 123.12 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 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 -3.00 0.00 0.50 2.61 0.00 -1.26 -4.97 120.51 114.39 2abd n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2abd n ALA 3 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2abd n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2abd n GLU 4 N 0.00 0.33 -0.12 0.00 -0.58 -1.26 -4.68 120.64 114.34 2abd n GLU 4 Ca 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 2abd n GLU 4 Cb 0.00 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2abd n PHE 5 N -1.92 -0.12 0.26 -0.32 -0.00 -1.26 0.30 117.46 114.40 2abd n PHE 5 Ca 0.00 0.34 0.12 0.00 -0.00 0.00 0.00 57.45 57.92 2abd n PHE 5 Cb 0.45 -0.44 0.72 0.00 -0.00 0.00 0.00 39.48 40.21 2abd n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2abd h ASP 6 N 0.00 0.00 0.09 -2.13 3.32 -1.98 0.13 116.42 115.85 2abd h ASP 6 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2abd h ASP 6 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2abd h ASP 6 CO -0.26 0.11 -0.04 0.50 -1.72 0.00 0.00 179.24 177.83 2abd h LYS 7 N 0.00 -0.11 -0.50 3.56 3.64 0.42 0.29 116.57 123.87 2abd h LYS 7 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2abd h LYS 7 Cb 0.28 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 2abd h LYS 7 CO 0.01 0.32 -0.06 0.00 -2.27 0.00 0.00 179.45 177.46 2abd h ALA 8 N 0.25 0.41 0.42 5.00 0.00 0.20 0.15 119.26 125.70 2abd h ALA 8 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2abd h ALA 8 Cb 0.49 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2abd h ALA 8 CO 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 179.25 178.44 2abd h ALA 9 N 1.48 -1.09 -0.77 0.00 0.00 -0.59 0.36 119.26 118.64 2abd h ALA 9 Ca 0.25 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.17 2abd h ALA 9 Cb 0.38 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 2abd h ALA 9 CO -0.47 -1.11 -0.12 0.93 0.00 0.00 0.00 179.25 178.48 2abd h GLU 10 N -0.84 0.03 0.77 0.00 5.08 0.54 0.21 114.58 120.38 2abd h GLU 10 Ca -0.05 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2abd h GLU 10 Cb 0.72 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2abd h GLU 10 CO -0.05 0.02 -0.37 0.93 -1.00 0.00 0.00 179.01 178.54 2abd h GLU 11 N 0.03 -0.99 -0.32 2.33 5.08 -0.50 -3.00 114.58 117.22 2abd h GLU 11 Ca 0.39 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.86 2abd h GLU 11 Cb 0.65 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2abd h GLU 11 CO -0.75 -0.65 0.09 -0.24 -1.00 0.00 0.00 179.01 176.46 2abd h VAL 12 N -1.21 0.89 -1.00 3.13 3.04 0.09 -0.14 116.25 121.05 2abd h VAL 12 Ca -0.11 -0.08 0.29 0.00 -1.01 0.00 0.00 66.70 65.80 2abd h VAL 12 Cb 0.81 0.65 -0.04 0.00 -2.01 0.00 0.00 31.29 30.70 2abd h VAL 12 CO 0.17 0.04 0.86 0.11 -1.01 0.00 0.00 177.57 177.75 2abd h LYS 13 N 0.22 0.00 0.00 4.17 1.57 -0.59 -2.75 116.57 119.18 2abd h LYS 13 Ca 0.14 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.59 2abd h LYS 13 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 2abd h LYS 13 CO -0.16 0.00 -2.27 -2.39 -0.57 0.00 0.00 179.45 174.06 2abd n HIS 14 N -3.83 0.00 0.00 -1.35 1.44 -0.58 -5.02 115.22 105.88 2abd n HIS 14 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 2abd n HIS 14 Cb 1.20 -0.86 0.00 0.00 0.12 0.00 0.00 29.99 30.45 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 -3.15 0.00 0.00 2.39 4.77 -0.17 -4.53 117.00 116.31 2abd n LEU 15 Ca -0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2abd n LEU 15 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2abd n LEU 15 CO 0.22 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.45 2abd n LYS 16 N 0.00 0.00 -4.40 3.23 4.81 -0.53 -3.66 118.16 117.61 2abd n LYS 16 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 2abd n LYS 16 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2abd s THR 17 N -3.72 3.73 -0.63 3.15 2.01 -1.26 -5.07 115.64 113.84 2abd s THR 17 Ca 0.00 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.98 2abd s THR 17 Cb 0.00 -2.64 0.06 0.00 0.01 0.00 0.00 72.50 69.93 2abd s THR 17 CO 0.00 0.36 0.95 -0.54 -0.69 0.00 0.00 174.62 174.70 2abd s LYS 18 N -1.54 3.16 0.70 4.92 -0.14 -1.24 -4.80 119.74 120.79 2abd s LYS 18 Ca 0.18 -0.71 -0.17 0.00 -1.36 0.00 0.00 55.97 53.92 2abd s LYS 18 Cb -0.11 -4.19 -0.13 0.00 -1.68 0.00 0.00 37.83 31.73 2abd s LYS 18 CO 0.09 -1.74 -0.90 -2.30 -0.76 0.00 0.00 175.35 169.75 2abd n PRO 19 N 7.64 0.00 -1.31 -1.68 -0.01 -1.26 -4.86 135.00 133.52 2abd n PRO 19 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.12 2abd n PRO 19 Cb 0.46 -0.70 0.11 0.00 -0.01 0.00 0.00 33.50 33.36 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2abd s ALA 20 N -1.39 2.01 0.11 3.55 0.00 -1.26 -4.62 121.76 120.16 2abd s ALA 20 Ca 0.26 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 2abd s ALA 20 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2abd s ALA 20 CO 0.50 -2.05 1.63 0.22 0.00 0.00 0.00 175.76 176.06 2abd h ASP 21 N -0.50 -0.82 -1.11 0.00 3.58 -1.98 0.35 116.42 115.95 2abd h ASP 21 Ca -0.47 0.10 0.32 0.00 0.42 0.00 0.00 57.03 57.39 2abd h ASP 21 Cb 1.30 0.31 -0.12 0.00 1.72 0.00 0.00 39.33 42.55 2abd h ASP 21 CO 0.48 -0.37 0.69 -0.33 -2.88 0.00 0.00 179.24 176.83 2abd h GLU 22 N -0.50 0.30 0.45 0.28 3.07 -1.98 0.74 114.58 116.94 2abd h GLU 22 Ca 0.03 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2abd h GLU 22 Cb 0.53 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2abd h GLU 22 CO -0.17 0.20 -0.21 0.93 -1.40 0.00 0.00 179.01 178.36 2abd h GLU 23 N 0.31 -0.58 -0.93 2.33 5.08 -1.63 -0.29 114.58 118.87 2abd h GLU 23 Ca 0.68 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 59.29 2abd h GLU 23 Cb 1.80 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 31.07 2abd h GLU 23 CO -0.40 -0.30 0.48 0.52 -1.00 0.00 0.00 179.01 178.32 2abd h MET 24 N -1.06 0.53 0.26 2.33 2.86 0.11 0.12 114.93 120.08 2abd h MET 24 Ca -0.06 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2abd h MET 24 Cb 0.55 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2abd h MET 24 CO 0.10 0.35 -0.33 -0.07 1.06 0.00 0.00 176.91 178.01 2abd h LEU 25 N 0.54 -0.93 0.47 1.22 3.38 0.54 0.45 115.31 120.99 2abd h LEU 25 Ca 0.57 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.61 2abd h LEU 25 Cb 1.00 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2abd h LEU 25 CO -0.46 -0.45 -0.48 0.15 0.09 0.00 0.00 178.44 177.29 2abd h PHE 26 N -0.65 -1.32 -0.16 1.13 3.57 0.84 0.45 116.94 120.79 2abd h PHE 26 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2abd h PHE 26 Cb 0.62 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2abd h PHE 26 CO -0.23 -0.63 -0.16 0.82 -2.23 0.00 0.00 178.31 175.87 2abd h ILE 27 N -0.95 0.00 -0.10 1.41 5.03 -0.68 -0.38 117.51 121.85 2abd h ILE 27 Ca -0.06 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.70 2abd h ILE 27 Cb 0.82 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.57 2abd h ILE 27 CO -0.06 0.00 -0.35 0.22 -0.68 0.00 0.00 178.15 177.28 2abd h TYR 28 N -0.08 -1.03 -0.71 1.37 3.20 0.02 0.47 116.97 120.20 2abd h TYR 28 Ca 0.03 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.04 2abd h TYR 28 Cb 0.15 0.46 -0.12 0.00 1.54 0.00 0.00 36.73 38.77 2abd h TYR 28 CO -0.73 -0.35 -0.42 0.66 -1.64 0.00 0.00 178.16 175.68 2abd h SER 29 N -0.36 -1.49 0.52 -2.11 4.64 0.06 0.44 113.55 115.24 2abd h SER 29 Ca 0.02 0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2abd h SER 29 Cb 0.43 0.71 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2abd h SER 29 CO -0.28 -0.31 -0.25 0.45 -0.87 0.00 0.00 176.83 175.56 2abd h HIS 30 N -0.15 -0.65 -0.22 4.77 3.86 -0.85 0.82 115.15 122.74 2abd h HIS 30 Ca 0.22 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2abd h HIS 30 Cb 0.55 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 2abd h HIS 30 CO -0.76 -0.33 -0.24 -0.92 0.86 0.00 0.00 177.93 176.54 2abd h TYR 31 N -0.94 -0.74 -0.90 2.45 3.20 0.88 0.43 116.97 121.35 2abd h TYR 31 Ca -0.07 0.04 0.24 0.00 3.14 0.00 0.00 58.73 62.08 2abd h TYR 31 Cb 0.62 0.35 -0.16 0.00 1.54 0.00 0.00 36.73 39.08 2abd h TYR 31 CO 0.00 -0.20 0.08 0.87 -1.64 0.00 0.00 178.16 177.27 2abd h LYS 32 N -0.14 0.08 -0.03 1.82 1.79 -0.17 0.46 116.57 120.37 2abd h LYS 32 Ca 0.04 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2abd h LYS 32 Cb 0.24 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2abd h LYS 32 CO -0.28 0.05 0.00 1.96 -1.08 0.00 0.00 179.45 180.11 2abd h GLN 33 N 0.08 0.05 -0.31 3.15 1.08 0.18 0.27 115.11 119.62 2abd h GLN 33 Ca 0.54 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.78 2abd h GLN 33 Cb 1.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 2abd h GLN 33 CO -0.79 0.31 0.21 0.00 -0.95 0.00 0.00 178.83 177.61 2abd h ALA 34 N 0.74 2.04 0.00 3.87 0.00 0.26 -3.11 119.26 123.06 2abd h ALA 34 Ca 0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2abd h ALA 34 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2abd h ALA 34 CO 0.00 -0.10 -1.93 0.25 0.00 0.00 0.00 179.25 177.47 2abd n THR 35 N -4.48 0.92 -0.10 0.00 -2.24 0.13 -4.84 114.28 103.67 2abd n THR 35 Ca 0.03 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 2abd n THR 35 Cb 0.24 -1.66 -0.11 0.00 -2.10 0.00 0.00 70.33 66.69 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 -0.54 1.06 0.00 2.28 2.07 -0.79 -3.50 116.25 116.83 2abd h VAL 36 Ca -0.42 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2abd h VAL 36 Cb 1.39 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2abd h VAL 36 CO -0.24 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.32 2abd n GLY 37 N 1.48 0.11 3.72 2.17 0.00 0.46 -5.02 105.19 108.12 2abd n GLY 37 Ca -0.26 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 6.76 -0.63 1.61 1.11 -1.26 -3.61 116.67 116.64 2abd s ASP 38 Ca 0.00 2.44 -0.13 0.00 0.18 0.00 0.00 52.55 55.04 2abd s ASP 38 Cb 0.00 -2.60 -0.18 0.00 1.07 0.00 0.00 42.92 41.22 2abd s ASP 38 CO 0.00 -0.68 1.54 0.00 1.18 0.00 0.00 175.17 177.21 2abd n ILE 39 N 3.60 0.00 1.17 0.77 3.06 -1.26 -4.74 119.36 121.96 2abd n ILE 39 Ca 0.11 -0.15 0.13 0.00 -2.50 0.00 0.00 62.75 60.33 2abd n ILE 39 Cb 0.41 -0.16 0.28 0.00 0.54 0.00 0.00 39.64 40.71 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 5.13 2.38 -4.92 9.51 3.02 -1.26 -4.84 115.26 124.28 2abd n ASN 40 Ca 0.42 -1.79 -0.26 0.00 -0.03 0.00 0.00 54.58 52.92 2abd n ASN 40 Cb 0.05 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.19 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2abd s THR 41 N -1.97 5.03 0.25 3.41 -4.23 -1.26 -5.08 115.64 111.79 2abd s THR 41 Ca 0.33 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 2abd s THR 41 Cb 0.20 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 2abd s THR 41 CO 0.31 -0.58 0.12 -1.83 -0.54 0.00 0.00 174.62 172.10 2abd s GLU 42 N -4.24 2.70 -0.68 3.99 -1.05 -1.26 -5.06 118.70 113.10 2abd s GLU 42 Ca 0.43 -1.17 -0.26 0.00 -0.15 0.00 0.00 54.97 53.82 2abd s GLU 42 Cb -0.10 -2.43 0.04 0.00 -0.44 0.00 0.00 34.13 31.20 2abd s GLU 42 CO 0.37 0.40 1.18 0.50 0.95 0.00 0.00 175.26 178.65 2abd s ARG 43 N -3.72 3.25 0.82 -4.83 3.52 -1.26 -4.88 118.95 111.84 2abd s ARG 43 Ca 0.32 -0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.50 2abd s ARG 43 Cb -0.08 -4.15 -0.10 0.00 -1.56 0.00 0.00 34.95 29.07 2abd s ARG 43 CO 0.23 -1.95 -0.16 -2.30 -0.81 0.00 0.00 175.30 170.31 2abd n PRO 44 N 8.75 0.03 0.02 5.12 -0.02 -1.26 -5.04 135.00 142.60 2abd n PRO 44 Ca 0.03 0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.51 2abd n PRO 44 Cb 0.48 -1.32 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.54 -0.11 0.14 -1.23 0.00 -1.26 -4.96 105.19 100.30 2abd n GLY 45 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.59 0.62 0.00 1.61 2.81 -1.26 -5.03 117.12 112.28 2abd n MET 46 Ca -0.03 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2abd n MET 46 Cb 0.16 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2abd n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2abd n LEU 47 N -3.72 0.00 -1.81 4.03 4.77 -1.26 -4.81 117.00 114.19 2abd n LEU 47 Ca -0.50 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2abd n LEU 47 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2abd n LEU 47 CO 0.15 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.68 2abd n ASP 48 N 0.00 0.00 -0.14 -1.43 9.92 -1.26 -4.73 116.55 118.91 2abd n ASP 48 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2abd n ASP 48 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2abd h PHE 49 N 0.61 -1.65 -1.42 1.24 -1.00 -1.98 0.42 116.94 113.16 2abd h PHE 49 Ca 0.00 0.08 -0.68 0.00 2.81 0.00 0.00 57.97 60.19 2abd h PHE 49 Cb 0.00 0.77 -0.26 0.00 3.61 0.00 0.00 35.95 40.08 2abd h PHE 49 CO 0.00 -0.48 0.88 1.63 -1.61 0.00 0.00 178.31 178.73 2abd n LYS 50 N -5.38 2.62 0.00 1.51 5.02 -1.26 -3.03 118.16 117.64 2abd n LYS 50 Ca -0.03 -3.17 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 2abd n LYS 50 Cb 0.34 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 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 -0.46 0.00 0.18 0.72 0.00 0.71 -4.52 105.19 101.82 2abd n GLY 51 Ca 0.55 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 0.20 1.61 3.11 -0.37 0.34 116.57 121.46 2abd h LYS 52 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2abd h LYS 52 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 2abd h LYS 52 CO 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 179.45 176.54 2abd h ALA 53 N 2.21 -0.42 -0.68 5.00 0.00 -1.73 0.30 119.26 123.94 2abd h ALA 53 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2abd h ALA 53 Cb 0.57 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 2abd h ALA 53 CO 0.00 -0.40 -0.33 0.87 0.00 0.00 0.00 179.25 179.39 2abd h LYS 54 N -0.63 -0.11 -0.15 0.00 6.56 -1.68 0.33 116.57 120.88 2abd h LYS 54 Ca -0.03 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 2abd h LYS 54 Cb 0.20 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.83 2abd h LYS 54 CO 0.04 -0.07 -0.46 2.35 -2.06 0.00 0.00 179.45 179.25 2abd h TRP 55 N -0.12 -1.37 -0.13 -1.35 7.01 -0.33 0.64 115.95 120.30 2abd h TRP 55 Ca 0.27 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.34 2abd h TRP 55 Cb 0.56 0.62 -0.02 0.00 -2.10 0.00 0.00 29.16 28.22 2abd h TRP 55 CO -0.67 -0.45 -0.00 -0.44 -2.79 0.00 0.00 178.44 174.09 2abd h ASP 56 N -0.46 -0.06 -0.68 2.65 3.32 0.71 0.45 116.42 122.35 2abd h ASP 56 Ca 0.03 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.23 2abd h ASP 56 Cb 0.56 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.08 2abd h ASP 56 CO -0.39 -0.01 0.25 0.00 -1.72 0.00 0.00 179.24 177.38 2abd h ALA 57 N 1.11 0.91 -0.01 3.45 0.00 0.09 0.24 119.26 125.05 2abd h ALA 57 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2abd h ALA 57 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2abd h ALA 57 CO -0.10 -0.20 -0.02 2.35 0.00 0.00 0.00 179.25 181.27 2abd h TRP 58 N 0.42 0.04 -0.64 0.00 7.01 -0.48 -3.20 115.95 119.10 2abd h TRP 58 Ca 0.36 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.47 2abd h TRP 58 Cb 0.50 -0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 27.43 2abd h TRP 58 CO -0.17 0.61 -0.16 -0.97 -2.79 0.00 0.00 178.44 174.95 2abd h ASN 59 N -0.54 -0.59 -1.24 2.65 -1.24 0.66 -0.29 115.58 114.99 2abd h ASN 59 Ca 0.00 0.19 0.41 0.00 0.71 0.00 0.00 56.30 57.61 2abd h ASN 59 Cb 0.61 0.40 -0.10 0.00 0.73 0.00 0.00 38.32 39.95 2abd h ASN 59 CO 0.00 -0.21 0.82 1.21 -1.29 0.00 0.00 177.43 177.96 2abd n GLU 60 N -5.44 -0.02 0.10 6.67 2.13 0.79 0.00 120.64 124.87 2abd n GLU 60 Ca 0.08 0.99 -0.22 0.00 0.66 0.00 0.00 57.16 58.67 2abd n GLU 60 Cb 0.33 -2.03 -0.15 0.00 0.27 0.00 0.00 31.44 29.86 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2abd h LEU 61 N 0.00 0.67 0.00 4.31 3.38 -1.15 -3.47 115.31 119.04 2abd h LEU 61 Ca 0.73 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2abd h LEU 61 Cb 2.49 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.02 2abd h LEU 61 CO -0.30 1.55 0.00 1.17 0.09 0.00 0.00 178.44 180.95 2abd n LYS 62 N -3.92 0.00 0.00 1.13 4.81 0.10 0.16 118.16 120.43 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 0.96 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.01 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 1.15 3.79 3.14 0.00 -1.26 -4.98 105.19 107.03 2abd n GLY 63 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.20 3.64 0.08 2.61 2.01 0.41 -4.90 115.64 118.28 2abd s THR 64 Ca 0.00 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 2abd s THR 64 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2abd s THR 64 CO 0.00 -0.45 1.10 -0.55 -0.69 0.00 0.00 174.62 174.03 2abd s SER 65 N -2.69 7.24 0.45 3.53 0.15 -1.26 -4.83 113.70 116.28 2abd s SER 65 Ca 0.65 1.92 0.30 0.00 0.70 0.00 0.00 55.95 59.52 2abd s SER 65 Cb -0.17 -2.58 1.42 0.00 -1.71 0.00 0.00 66.02 62.97 2abd s SER 65 CO 0.37 -0.32 1.64 0.11 1.20 0.00 0.00 173.24 176.24 2abd h LYS 66 N 6.31 0.10 -0.10 5.44 1.79 -1.90 0.58 116.57 128.79 2abd h LYS 66 Ca -0.42 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.02 2abd h LYS 66 Cb 1.21 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2abd h LYS 66 CO 0.77 0.07 -0.03 0.93 -1.08 0.00 0.00 179.45 180.10 2abd h GLU 67 N 0.10 0.20 0.11 3.15 3.07 -1.88 -0.84 114.58 118.49 2abd h GLU 67 Ca 0.80 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 59.60 2abd h GLU 67 Cb 2.55 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 30.40 2abd h GLU 67 CO -0.37 0.53 -0.36 -0.44 -1.40 0.00 0.00 179.01 176.96 2abd h ASP 68 N -0.13 -1.06 -0.72 1.42 3.32 -0.28 0.74 116.42 119.70 2abd h ASP 68 Ca 0.02 0.12 0.13 0.00 0.02 0.00 0.00 57.03 57.32 2abd h ASP 68 Cb 0.46 0.40 -0.13 0.00 0.22 0.00 0.00 39.33 40.28 2abd h ASP 68 CO 0.01 -0.44 -0.32 0.00 -1.72 0.00 0.00 179.24 176.77 2abd h ALA 69 N 0.00 0.11 0.85 3.45 0.00 -0.99 0.23 119.26 122.91 2abd h ALA 69 Ca 0.03 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 69 Cb 0.62 0.80 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2abd h ALA 69 CO -0.22 -0.61 -0.41 0.52 0.00 0.00 0.00 179.25 178.53 2abd h MET 70 N -0.09 -1.10 -0.25 0.00 2.86 -0.23 0.79 114.93 116.90 2abd h MET 70 Ca 0.29 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 2abd h MET 70 Cb 0.57 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 2abd h MET 70 CO -0.78 -0.72 -0.46 0.87 1.06 0.00 0.00 176.91 176.88 2abd h LYS 71 N -1.21 -0.38 -0.08 1.72 1.79 -0.37 -1.92 116.57 116.12 2abd h LYS 71 Ca -0.12 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2abd h LYS 71 Cb 0.88 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 2abd h LYS 71 CO 0.19 -0.25 -0.45 0.00 -1.08 0.00 0.00 179.45 177.86 2abd h ALA 72 N -0.36 -0.84 -0.73 3.86 0.00 -0.60 -0.24 119.26 120.35 2abd h ALA 72 Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 72 Cb 0.52 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 2abd h ALA 72 CO -0.44 -0.99 -0.27 0.98 0.00 0.00 0.00 179.25 178.52 2abd n TYR 73 N -4.95 0.05 0.13 0.00 9.36 0.27 0.22 117.16 122.24 2abd n TYR 73 Ca -0.05 0.90 -0.05 0.00 3.32 0.00 0.00 57.90 62.01 2abd n TYR 73 Cb 0.32 -0.79 -0.03 0.00 -0.63 0.00 0.00 39.34 38.21 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 -1.61 2.97 1.08 -0.67 0.50 117.51 119.77 2abd h ILE 74 Ca 0.27 -0.25 0.47 0.00 -0.39 0.00 0.00 64.86 64.96 2abd h ILE 74 Cb 0.45 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 2abd h ILE 74 CO -0.73 0.00 1.18 0.44 -0.69 0.00 0.00 178.15 178.35 2abd h ASP 75 N -0.60 0.00 0.21 1.72 3.32 -0.27 0.87 116.42 121.66 2abd h ASP 75 Ca -0.04 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.67 2abd h ASP 75 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2abd h ASP 75 CO 0.06 0.00 -2.08 1.17 -1.72 0.00 0.00 179.24 176.67 2abd n LYS 76 N -4.00 0.67 -0.23 3.56 3.00 0.13 -4.01 118.16 117.28 2abd n LYS 76 Ca 0.36 0.17 0.01 0.00 -0.00 0.00 0.00 58.31 58.85 2abd n LYS 76 Cb 1.68 -1.66 0.23 0.00 0.00 0.00 0.00 35.03 35.29 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 0.01 1.19 0.00 3.15 2.07 0.58 -1.67 116.25 121.58 2abd h VAL 77 Ca -0.43 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2abd h VAL 77 Cb 2.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2abd h VAL 77 CO 0.04 0.19 0.19 -0.62 0.02 0.00 0.00 177.57 177.40 2abd n GLU 78 N -4.42 0.00 -0.10 1.57 -0.58 0.13 0.66 120.64 117.91 2abd n GLU 78 Ca 0.09 0.14 -0.15 0.00 -0.42 0.00 0.00 57.16 56.82 2abd n GLU 78 Cb 0.04 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.15 2abd n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2abd n GLU 79 N -1.05 0.52 -0.29 3.49 1.02 -0.63 -4.07 120.64 119.64 2abd n GLU 79 Ca 0.00 0.46 0.02 0.00 -0.02 0.00 0.00 57.16 57.62 2abd n GLU 79 Cb 0.19 -1.65 0.15 0.00 -0.02 0.00 0.00 31.44 30.12 2abd n GLU 79 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2abd h LEU 80 N -1.00 0.71 -2.79 -4.62 3.38 0.12 0.31 115.31 111.42 2abd h LEU 80 Ca -0.24 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2abd h LEU 80 Cb 1.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2abd h LEU 80 CO -0.14 0.43 -0.00 0.50 0.09 0.00 0.00 178.44 179.31 2abd h LYS 81 N 0.83 0.00 0.02 1.13 3.64 -0.99 0.59 116.57 121.79 2abd h LYS 81 Ca 0.38 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.36 2abd h LYS 81 Cb 0.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 2abd h LYS 81 CO -0.22 0.00 -2.40 1.63 -2.27 0.00 0.00 179.45 176.19 2abd n LYS 82 N -3.14 0.65 -0.08 1.90 4.76 0.52 -2.79 118.16 119.99 2abd n LYS 82 Ca -0.03 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2abd n LYS 82 Cb 0.10 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 31.69 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 -0.18 0.56 0.00 1.97 1.63 -0.26 -3.40 116.57 116.89 2abd h LYS 83 Ca -0.58 -0.28 -0.25 0.00 -0.85 0.00 0.00 60.65 58.69 2abd h LYS 83 Cb 1.86 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 33.45 2abd h LYS 83 CO -0.13 0.87 -1.81 0.66 -3.45 0.00 0.00 179.45 175.59 2abd n TYR 84 N -4.40 0.00 0.00 1.91 4.01 0.18 -5.04 117.16 113.82 2abd n TYR 84 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2abd n TYR 84 Cb 0.41 -0.53 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 2.06 0.09 0.00 2.72 0.00 0.09 -4.15 105.19 106.00 2abd n GLY 85 Ca -0.29 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.72 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71