#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 0.84 0.00 4.33 7.27 -1.26 -5.14 117.38 123.42 2abd n GLN 2 Ca 0.00 -2.53 0.00 0.00 0.07 0.00 0.00 57.00 54.54 2abd n GLN 2 Cb 0.00 0.17 0.00 0.00 2.41 0.00 0.00 30.24 32.82 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2abd n ALA 3 N -2.23 0.00 0.59 1.69 0.00 -1.26 -4.95 120.51 114.35 2abd n ALA 3 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2abd n ALA 3 Cb 0.47 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.12 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 2.40 -0.28 0.00 0.28 -1.26 -4.57 120.64 117.21 2abd n GLU 4 Ca 0.00 -2.09 0.04 0.00 -0.16 0.00 0.00 57.16 54.95 2abd n GLU 4 Cb 0.00 -1.49 0.10 0.00 1.43 0.00 0.00 31.44 31.47 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 1.35 0.24 -0.08 -1.84 -0.00 -1.26 0.23 117.46 116.10 2abd n PHE 5 Ca 0.18 0.93 -0.05 0.00 -0.00 0.00 0.00 57.45 58.51 2abd n PHE 5 Cb 0.58 -0.92 0.16 0.00 -0.00 0.00 0.00 39.48 39.30 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 0.71 -0.86 -2.13 3.32 -1.97 0.30 116.42 115.78 2abd h ASP 6 Ca 0.35 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2abd h ASP 6 Cb 0.54 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2abd h ASP 6 CO -0.78 0.82 0.44 0.50 -1.72 0.00 0.00 179.24 178.51 2abd h LYS 7 N 0.67 1.23 0.74 3.56 3.11 0.25 0.53 116.57 126.66 2abd h LYS 7 Ca 0.12 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.76 2abd h LYS 7 Cb 0.52 -0.23 0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2abd h LYS 7 CO 0.03 0.92 -0.35 0.00 -2.81 0.00 0.00 179.45 177.24 2abd h ALA 8 N 1.26 -1.00 -0.77 5.00 0.00 0.11 -2.89 119.26 120.98 2abd h ALA 8 Ca 0.30 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.15 2abd h ALA 8 Cb 0.08 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 2abd h ALA 8 CO -0.04 -0.92 -0.16 0.00 0.00 0.00 0.00 179.25 178.12 2abd h ALA 9 N -1.28 0.55 -0.82 0.00 0.00 -0.09 0.14 119.26 117.77 2abd h ALA 9 Ca -0.10 0.29 0.13 0.00 0.00 0.00 0.00 54.91 55.23 2abd h ALA 9 Cb 0.76 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2abd h ALA 9 CO 0.17 -0.41 -0.37 1.49 0.00 0.00 0.00 179.25 180.12 2abd h GLU 10 N 0.01 -0.07 0.03 0.00 4.81 0.10 -1.60 114.58 117.87 2abd h GLU 10 Ca 0.38 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.41 2abd h GLU 10 Cb 0.59 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.01 2abd h GLU 10 CO -0.77 -0.05 -0.81 0.93 -0.73 0.00 0.00 179.01 177.58 2abd h GLU 11 N -0.07 0.50 -0.90 1.92 5.08 -0.83 -3.32 114.58 116.96 2abd h GLU 11 Ca 0.29 -0.58 0.16 0.00 -1.00 0.00 0.00 59.36 58.24 2abd h GLU 11 Cb 0.58 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 2abd h GLU 11 CO -0.85 1.21 0.48 -0.24 -1.00 0.00 0.00 179.01 178.61 2abd h VAL 12 N 0.04 0.71 0.00 3.13 3.04 -0.02 0.38 116.25 123.53 2abd h VAL 12 Ca -0.11 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2abd h VAL 12 Cb 1.52 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2abd h VAL 12 CO 0.16 0.12 0.00 0.29 -1.01 0.00 0.00 177.57 177.13 2abd n LYS 13 N -4.85 0.51 -0.09 4.17 5.02 -0.68 -3.35 118.16 118.89 2abd n LYS 13 Ca 0.19 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2abd n LYS 13 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2abd n HIS 14 N -1.09 0.00 0.00 2.13 8.25 0.12 -5.06 115.22 119.56 2abd n HIS 14 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2abd n HIS 14 Cb 0.10 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.52 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 -3.06 0.00 -0.37 2.41 4.77 -0.54 -4.66 117.00 115.56 2abd n LEU 15 Ca -0.32 0.00 0.31 0.00 -0.03 0.00 0.00 56.01 55.97 2abd n LEU 15 Cb 0.83 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.44 2abd n LEU 15 CO 0.17 0.00 0.94 1.17 -1.33 0.00 0.00 177.39 178.34 2abd n LYS 16 N 0.00 -0.03 -4.17 3.23 4.81 0.19 -4.34 118.16 117.84 2abd n LYS 16 Ca 0.00 0.94 -0.24 0.00 -0.87 0.00 0.00 58.31 58.14 2abd n LYS 16 Cb 0.00 -1.87 -0.07 0.00 0.02 0.00 0.00 35.03 33.10 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 -4.82 2.63 -0.45 3.15 2.01 -1.24 -5.08 115.64 111.85 2abd s THR 17 Ca -0.05 -1.77 -0.17 0.00 0.31 0.00 0.00 61.69 60.01 2abd s THR 17 Cb 0.23 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.85 2abd s THR 17 CO 0.62 -0.11 0.44 -0.54 -0.69 0.00 0.00 174.62 174.34 2abd s LYS 18 N -3.84 3.05 0.30 4.92 -0.14 -1.26 -4.92 119.74 117.85 2abd s LYS 18 Ca 0.38 -0.99 -0.26 0.00 -1.36 0.00 0.00 55.97 53.74 2abd s LYS 18 Cb 0.01 -4.04 -0.15 0.00 -1.68 0.00 0.00 37.83 31.97 2abd s LYS 18 CO 0.22 -0.95 0.61 -2.30 -0.76 0.00 0.00 175.35 172.17 2abd n PRO 19 N 5.52 0.50 -1.15 -1.68 -0.02 -1.26 -4.95 135.00 131.95 2abd n PRO 19 Ca -0.09 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 2abd n PRO 19 Cb 0.46 -1.35 0.15 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.20 1.37 0.00 3.55 0.00 -1.26 -4.59 121.76 119.63 2abd s ALA 20 Ca 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2abd s ALA 20 Cb -0.76 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2abd s ALA 20 CO 0.58 -2.50 0.58 -0.25 0.00 0.00 0.00 175.76 174.17 2abd n ASP 21 N -3.98 0.00 0.11 0.00 9.92 -1.26 -0.59 116.55 120.75 2abd n ASP 21 Ca 0.07 0.58 -0.13 0.00 -0.53 0.00 0.00 54.79 54.77 2abd n ASP 21 Cb 0.55 -0.20 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2abd h GLU 22 N 0.00 -0.52 -0.85 -1.24 4.39 -1.98 0.35 114.58 114.74 2abd h GLU 22 Ca 0.00 0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.91 2abd h GLU 22 Cb 0.00 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 28.61 2abd h GLU 22 CO 0.00 -0.35 -0.21 0.93 -1.16 0.00 0.00 179.01 178.22 2abd h GLU 23 N -0.54 -0.00 -0.03 2.33 5.08 -1.82 0.33 114.58 119.94 2abd h GLU 23 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2abd h GLU 23 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2abd h GLU 23 CO -0.19 -0.00 -0.01 0.52 -1.00 0.00 0.00 179.01 178.34 2abd h MET 24 N -0.00 0.05 -0.99 2.33 2.86 -0.27 -3.15 114.93 115.77 2abd h MET 24 Ca 0.41 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.19 2abd h MET 24 Cb 0.62 -0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.11 2abd h MET 24 CO -0.88 0.42 -0.37 -0.07 1.06 0.00 0.00 176.91 177.07 2abd h LEU 25 N -0.32 -1.35 -0.01 1.22 3.38 0.33 0.34 115.31 118.89 2abd h LEU 25 Ca 0.01 0.31 0.01 0.00 0.09 0.00 0.00 57.88 58.29 2abd h LEU 25 Cb 0.40 0.73 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2abd h LEU 25 CO 0.00 -0.30 -0.17 0.15 0.09 0.00 0.00 178.44 178.22 2abd h PHE 26 N -0.00 -0.50 -0.28 1.13 3.57 -0.82 0.35 116.94 120.39 2abd h PHE 26 Ca 0.37 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.93 2abd h PHE 26 Cb 0.62 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 2abd h PHE 26 CO -0.85 -0.18 -0.53 0.82 -2.23 0.00 0.00 178.31 175.34 2abd h ILE 27 N -0.20 0.02 0.16 1.41 5.03 -1.13 -0.63 117.51 122.18 2abd h ILE 27 Ca 0.01 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.76 2abd h ILE 27 Cb 0.22 0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 33.99 2abd h ILE 27 CO -0.12 0.00 -0.49 0.22 -0.68 0.00 0.00 178.15 177.08 2abd h TYR 28 N -0.47 -1.39 -0.04 1.37 3.20 -0.13 0.67 116.97 120.18 2abd h TYR 28 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2abd h TYR 28 Cb 0.63 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 39.43 2abd h TYR 28 CO -0.64 -0.58 -0.47 0.66 -1.64 0.00 0.00 178.16 175.49 2abd h SER 29 N -0.75 -1.45 0.28 -2.11 4.64 -0.11 0.23 113.55 114.29 2abd h SER 29 Ca -0.00 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2abd h SER 29 Cb 0.75 0.56 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2abd h SER 29 CO -0.25 -0.48 -0.14 0.45 -0.87 0.00 0.00 176.83 175.55 2abd h HIS 30 N -0.59 -0.35 -0.24 4.77 3.86 -1.04 -1.14 115.15 120.41 2abd h HIS 30 Ca 0.04 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2abd h HIS 30 Cb 0.68 0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.20 2abd h HIS 30 CO -0.48 -0.06 -0.46 -0.92 0.86 0.00 0.00 177.93 176.88 2abd h TYR 31 N -0.64 -1.38 -0.60 2.45 3.20 0.52 0.40 116.97 120.91 2abd h TYR 31 Ca -0.04 0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.01 2abd h TYR 31 Cb 0.46 0.63 -0.11 0.00 1.54 0.00 0.00 36.73 39.25 2abd h TYR 31 CO 0.01 -0.43 -0.13 0.87 -1.64 0.00 0.00 178.16 176.84 2abd h LYS 32 N -0.39 0.01 0.52 1.82 1.79 -0.56 0.37 116.57 120.13 2abd h LYS 32 Ca 0.05 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2abd h LYS 32 Cb 0.52 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2abd h LYS 32 CO -0.44 0.01 -0.37 1.96 -1.08 0.00 0.00 179.45 179.53 2abd h GLN 33 N 0.01 -0.84 -0.67 3.15 1.08 0.47 0.37 115.11 118.69 2abd h GLN 33 Ca 0.29 0.06 0.14 0.00 -1.45 0.00 0.00 58.65 57.69 2abd h GLN 33 Cb 0.45 0.19 -0.11 0.00 -0.05 0.00 0.00 27.48 27.96 2abd h GLN 33 CO -0.61 -0.56 0.05 0.00 -0.95 0.00 0.00 178.83 176.77 2abd h ALA 34 N -0.51 0.73 0.00 3.87 0.00 0.86 -0.78 119.26 123.42 2abd h ALA 34 Ca -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2abd h ALA 34 Cb 0.73 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2abd h ALA 34 CO 0.03 -0.38 -0.53 1.79 0.00 0.00 0.00 179.25 180.16 2abd h THR 35 N 0.16 0.17 0.00 0.00 1.35 -0.29 -3.44 112.91 110.86 2abd h THR 35 Ca 0.36 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2abd h THR 35 Cb 0.60 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2abd h THR 35 CO -0.54 0.06 -0.03 0.58 -0.25 0.00 0.00 175.52 175.34 2abd h VAL 36 N -1.00 0.00 0.00 6.82 2.07 -0.54 -3.51 116.25 120.10 2abd h VAL 36 Ca -0.05 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2abd h VAL 36 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2abd h VAL 36 CO -0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.17 2abd n GLY 37 N 1.88 0.42 3.62 2.17 0.00 0.84 -4.97 105.19 109.15 2abd n GLY 37 Ca -0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 3.54 0.00 1.61 9.92 -1.26 -3.59 116.55 126.77 2abd n ASP 38 Ca 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 2abd n ASP 38 Cb 0.00 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.94 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 6.96 0.00 0.64 0.53 3.06 -1.26 -4.72 119.36 124.57 2abd n ILE 39 Ca 0.27 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.64 2abd n ILE 39 Cb 0.43 0.00 0.46 0.00 0.54 0.00 0.00 39.64 41.07 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 0.54 -4.97 9.51 5.03 -1.26 -4.77 115.26 119.34 2abd n ASN 40 Ca 0.00 0.57 -0.21 0.00 0.87 0.00 0.00 54.58 55.81 2abd n ASN 40 Cb 0.00 -0.71 0.04 0.00 -1.02 0.00 0.00 39.78 38.09 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2abd s THR 41 N -3.12 2.78 0.28 3.41 -4.23 -1.26 -5.10 115.64 108.40 2abd s THR 41 Ca 0.10 -0.64 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 2abd s THR 41 Cb 0.13 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2abd s THR 41 CO 0.51 -0.03 0.10 -1.83 -0.54 0.00 0.00 174.62 172.82 2abd s GLU 42 N -4.75 2.51 -1.02 3.99 -1.05 -1.26 -5.05 118.70 112.07 2abd s GLU 42 Ca 0.57 -1.33 -0.23 0.00 -0.15 0.00 0.00 54.97 53.82 2abd s GLU 42 Cb -0.10 -2.30 0.04 0.00 -0.44 0.00 0.00 34.13 31.33 2abd s GLU 42 CO 0.38 0.31 1.49 0.50 0.95 0.00 0.00 175.26 178.90 2abd s ARG 43 N -3.77 3.52 0.66 -4.83 3.52 -1.26 -4.85 118.95 111.93 2abd s ARG 43 Ca 0.34 -1.07 -0.17 0.00 -0.13 0.00 0.00 55.73 54.69 2abd s ARG 43 Cb -0.06 -5.34 -0.11 0.00 -1.56 0.00 0.00 34.95 27.88 2abd s ARG 43 CO 0.22 -2.30 0.06 -2.30 -0.81 0.00 0.00 175.30 170.17 2abd n PRO 44 N 8.88 0.16 -0.56 5.12 -0.02 -1.26 -4.83 135.00 142.49 2abd n PRO 44 Ca 0.34 0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 2abd n PRO 44 Cb 0.51 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.29 -0.06 0.14 -1.23 0.00 -1.26 -4.65 105.19 100.42 2abd n GLY 45 Ca 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 0.75 -0.12 -1.19 1.61 2.81 -1.26 0.24 117.12 119.96 2abd n MET 46 Ca 0.08 0.53 -0.24 0.00 -1.81 0.00 0.00 57.70 56.26 2abd n MET 46 Cb 0.02 -0.78 0.16 0.00 -0.71 0.00 0.00 33.22 31.91 2abd n MET 46 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2abd n LEU 47 N -4.47 6.68 -0.09 4.03 7.94 -1.26 -4.53 117.00 125.30 2abd n LEU 47 Ca 0.02 -3.58 -0.15 0.00 -1.11 0.00 0.00 56.01 51.19 2abd n LEU 47 Cb 0.11 -0.84 -0.08 0.00 0.53 0.00 0.00 43.42 43.14 2abd n LEU 47 CO -0.05 1.07 -0.29 -0.78 -1.11 0.00 0.00 177.39 176.23 2abd h ASP 48 N 1.05 0.00 0.00 1.96 3.58 -0.51 -3.48 116.42 119.03 2abd h ASP 48 Ca 0.61 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2abd h ASP 48 Cb 2.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.65 2abd h ASP 48 CO 1.11 1.15 0.00 0.49 -2.88 0.00 0.00 179.24 179.11 2abd n PHE 49 N -4.53 0.00 -0.24 0.28 3.72 -1.26 -4.58 117.46 110.84 2abd n PHE 49 Ca -0.20 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.41 2abd n PHE 49 Cb 0.49 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.38 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 0.00 -0.02 -0.00 -1.08 2.85 -1.26 -0.08 118.16 118.56 2abd n LYS 50 Ca 0.00 0.67 -0.01 0.00 -1.05 0.00 0.00 58.31 57.92 2abd n LYS 50 Cb 0.00 -1.30 -0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2abd n GLY 51 N -1.26 -0.01 0.35 2.58 0.00 -1.26 -4.66 105.19 100.93 2abd n GLY 51 Ca 0.21 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.01 0.66 0.67 1.61 3.11 -1.69 0.17 116.57 121.09 2abd h LYS 52 Ca -0.02 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 2abd h LYS 52 Cb 1.02 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2abd h LYS 52 CO -0.00 0.44 -0.32 0.00 -2.81 0.00 0.00 179.45 176.75 2abd h ALA 53 N 1.63 -0.90 -0.51 5.00 0.00 -0.77 0.48 119.26 124.19 2abd h ALA 53 Ca 0.31 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 53 Cb 0.33 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2abd h ALA 53 CO -0.10 -1.01 -0.28 0.87 0.00 0.00 0.00 179.25 178.73 2abd h LYS 54 N -0.91 -0.15 0.06 0.00 1.79 -1.49 0.36 116.57 116.23 2abd h LYS 54 Ca -0.09 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2abd h LYS 54 Cb 0.69 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.33 2abd h LYS 54 CO 0.15 -0.10 -0.47 2.35 -1.08 0.00 0.00 179.45 180.30 2abd h TRP 55 N -0.16 -1.36 -0.30 -1.35 7.01 -0.02 0.66 115.95 120.43 2abd h TRP 55 Ca 0.22 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.32 2abd h TRP 55 Cb 0.51 0.59 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 2abd h TRP 55 CO -0.55 -0.51 -0.03 -0.44 -2.79 0.00 0.00 178.44 174.11 2abd h ASP 56 N -0.63 -0.19 -0.32 2.65 3.32 0.65 0.48 116.42 122.37 2abd h ASP 56 Ca 0.00 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2abd h ASP 56 Cb 0.65 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 2abd h ASP 56 CO -0.28 -0.06 -0.08 0.00 -1.72 0.00 0.00 179.24 177.10 2abd h ALA 57 N 1.28 0.21 0.04 3.45 0.00 0.20 0.38 119.26 124.81 2abd h ALA 57 Ca 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2abd h ALA 57 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2abd h ALA 57 CO -0.27 -0.46 -0.02 2.35 0.00 0.00 0.00 179.25 180.84 2abd h TRP 58 N -0.00 -0.05 -0.83 0.00 7.01 -0.21 -2.79 115.95 119.08 2abd h TRP 58 Ca 0.16 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.33 2abd h TRP 58 Cb 0.24 0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.21 2abd h TRP 58 CO -0.30 0.22 0.34 -0.97 -2.79 0.00 0.00 178.44 174.93 2abd h ASN 59 N -0.31 0.30 -1.18 2.65 -1.24 0.44 0.36 115.58 116.59 2abd h ASN 59 Ca -0.01 0.13 0.34 0.00 0.71 0.00 0.00 56.30 57.47 2abd h ASN 59 Cb 0.29 0.11 -0.07 0.00 0.73 0.00 0.00 38.32 39.38 2abd h ASN 59 CO 0.01 0.06 0.82 -0.08 -1.29 0.00 0.00 177.43 176.95 2abd h GLU 60 N 0.43 0.10 0.01 6.67 4.57 0.02 -1.00 114.58 125.38 2abd h GLU 60 Ca 0.48 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.60 2abd h GLU 60 Cb 0.82 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2abd h GLU 60 CO -0.47 0.07 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.08 2abd h LEU 61 N 0.11 0.02 0.00 1.64 3.38 -0.30 -3.47 115.31 116.68 2abd h LEU 61 Ca 0.60 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2abd h LEU 61 Cb 2.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2abd h LEU 61 CO -0.11 1.11 0.00 1.17 0.09 0.00 0.00 178.44 180.71 2abd n LYS 62 N -4.55 0.00 0.00 1.13 0.00 -0.38 -0.01 118.16 114.35 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 1.26 3.86 3.14 0.00 -1.26 -4.96 105.19 107.23 2abd n GLY 63 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.79 4.68 -0.07 2.61 -1.32 0.98 -4.94 115.64 115.79 2abd s THR 64 Ca 0.00 0.88 -0.36 0.00 -1.21 0.00 0.00 61.69 61.00 2abd s THR 64 Cb 0.00 -3.75 -0.13 0.00 -1.51 0.00 0.00 72.50 67.10 2abd s THR 64 CO 0.00 -0.69 1.75 -0.24 -2.21 0.00 0.00 174.62 173.23 2abd n SER 65 N -1.66 3.03 -0.46 8.08 2.88 -1.26 -4.76 113.62 119.46 2abd n SER 65 Ca 0.04 1.03 0.41 0.00 -1.33 0.00 0.00 58.87 59.02 2abd n SER 65 Cb 0.54 -1.32 0.76 0.00 -0.75 0.00 0.00 64.21 63.44 2abd n SER 65 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2abd h LYS 66 N 7.82 0.02 0.02 -1.46 1.63 -1.90 0.16 116.57 122.86 2abd h LYS 66 Ca -0.47 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.18 2abd h LYS 66 Cb 1.28 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2abd h LYS 66 CO 0.93 0.02 -0.78 0.93 -3.45 0.00 0.00 179.45 177.10 2abd h GLU 67 N 0.03 0.05 -0.49 1.90 5.08 -1.88 -3.30 114.58 115.96 2abd h GLU 67 Ca 0.71 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 59.08 2abd h GLU 67 Cb 2.76 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.95 2abd h GLU 67 CO -0.05 1.04 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.43 2abd h ASP 68 N -0.86 -0.48 -0.79 1.42 3.32 -1.16 0.35 116.42 118.21 2abd h ASP 68 Ca -0.20 0.15 0.14 0.00 0.02 0.00 0.00 57.03 57.15 2abd h ASP 68 Cb 1.27 0.31 -0.14 0.00 0.22 0.00 0.00 39.33 40.99 2abd h ASP 68 CO -0.07 -0.17 -0.28 0.00 -1.72 0.00 0.00 179.24 177.00 2abd h ALA 69 N 1.48 0.30 0.74 3.45 0.00 -1.00 0.22 119.26 124.44 2abd h ALA 69 Ca 0.24 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 2abd h ALA 69 Cb 0.37 0.75 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2abd h ALA 69 CO -0.51 -0.52 -0.35 0.52 0.00 0.00 0.00 179.25 178.38 2abd h MET 70 N -0.05 -0.95 -0.37 0.00 2.86 -0.56 -0.95 114.93 114.91 2abd h MET 70 Ca 0.34 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.08 2abd h MET 70 Cb 0.59 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 2abd h MET 70 CO -0.83 -0.64 -0.22 1.63 1.06 0.00 0.00 176.91 177.92 2abd n LYS 71 N -5.37 -0.16 -0.19 1.72 5.02 0.61 -0.68 118.16 119.11 2abd n LYS 71 Ca -0.12 1.19 -0.11 0.00 -2.02 0.00 0.00 58.31 57.24 2abd n LYS 71 Cb 0.39 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.45 -0.64 -0.93 7.82 0.00 -0.66 0.25 119.26 124.64 2abd h ALA 72 Ca 0.06 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.22 2abd h ALA 72 Cb 0.15 1.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 2abd h ALA 72 CO -0.34 -0.90 -0.07 -0.92 0.00 0.00 0.00 179.25 177.02 2abd h TYR 73 N -0.24 -0.21 0.29 0.00 3.20 0.47 0.87 116.97 121.36 2abd h TYR 73 Ca 0.08 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 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 -0.80 -0.39 -0.14 0.82 -1.64 0.00 0.00 178.16 176.01 2abd h ILE 74 N 0.02 0.00 -1.32 1.81 2.04 0.46 0.12 117.51 120.65 2abd h ILE 74 Ca 0.52 -0.41 0.38 0.00 1.00 0.00 0.00 64.86 66.34 2abd h ILE 74 Cb 0.95 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2abd h ILE 74 CO -0.90 0.00 1.23 0.47 0.00 0.00 0.00 178.15 178.96 2abd n ASP 75 N -4.20 0.00 -0.12 1.72 8.00 0.75 0.63 116.55 123.32 2abd n ASP 75 Ca -0.05 0.80 -0.25 0.00 0.71 0.00 0.00 54.79 56.00 2abd n ASP 75 Cb 0.15 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.39 0.62 -0.34 -1.24 3.00 0.30 -4.47 118.16 112.63 2abd n LYS 76 Ca 0.30 0.26 0.15 0.00 -0.00 0.00 0.00 58.31 59.02 2abd n LYS 76 Cb 1.63 -1.54 0.29 0.00 0.00 0.00 0.00 35.03 35.40 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 -3.91 -0.41 -0.69 3.15 0.31 0.20 -0.03 118.33 116.95 2abd n VAL 77 Ca -0.48 2.17 0.52 0.00 -0.01 0.00 0.00 64.34 66.54 2abd n VAL 77 Cb 0.91 -3.18 0.80 0.00 -0.91 0.00 0.00 33.84 31.47 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 -5.48 -0.00 0.05 5.55 -0.58 -1.11 0.98 120.64 120.05 2abd n GLU 78 Ca 0.23 1.08 -0.10 0.00 -0.42 0.00 0.00 57.16 57.95 2abd n GLU 78 Cb 0.76 -2.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.10 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 -0.21 -0.62 3.49 4.39 -0.74 -2.92 114.58 117.97 2abd h GLU 79 Ca 0.93 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.74 2abd h GLU 79 Cb 3.68 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 32.30 2abd h GLU 79 CO -0.04 0.19 0.23 -0.07 -1.16 0.00 0.00 179.01 178.17 2abd h LEU 80 N -0.90 0.23 -2.07 1.33 3.38 0.54 0.47 115.31 118.29 2abd h LEU 80 Ca -0.02 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2abd h LEU 80 Cb 0.51 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2abd h LEU 80 CO 0.04 0.13 0.35 0.50 0.09 0.00 0.00 178.44 179.55 2abd h LYS 81 N 0.41 0.00 0.00 1.13 3.11 -0.39 0.47 116.57 121.30 2abd h LYS 81 Ca 0.32 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.09 2abd h LYS 81 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 2abd h LYS 81 CO -0.32 0.00 -0.95 0.36 -2.81 0.00 0.00 179.45 175.73 2abd n LYS 82 N -3.50 0.50 -0.07 1.90 2.85 0.14 -2.46 118.16 117.52 2abd n LYS 82 Ca 0.03 0.39 -0.08 0.00 -1.05 0.00 0.00 58.31 57.60 2abd n LYS 82 Cb 0.48 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 33.26 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2abd h LYS 83 N -1.00 -0.25 0.00 -1.58 1.63 -0.35 -3.33 116.57 111.68 2abd h LYS 83 Ca -0.10 0.02 -0.42 0.00 -0.85 0.00 0.00 60.65 59.30 2abd h LYS 83 Cb 0.87 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.50 2abd h LYS 83 CO -0.06 -0.17 -2.41 0.66 -3.45 0.00 0.00 179.45 174.02 2abd n TYR 84 N -5.40 0.00 0.00 1.91 4.01 0.13 -4.97 117.16 112.84 2abd n TYR 84 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2abd n TYR 84 Cb 0.32 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 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 1.56 0.00 0.00 2.72 0.00 0.49 -3.59 105.19 106.37 2abd n GLY 85 Ca -0.49 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.67 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71