#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 n ILE 2 N 0.00 0.00 -2.97 4.25 5.41 -1.26 -5.00 119.36 119.78 1ab3 n ILE 2 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1ab3 n ILE 2 Cb 0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1ab3 n THR 3 N -3.75 0.00 0.00 1.39 5.66 -1.26 -4.95 114.28 111.37 1ab3 n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ab3 n THR 3 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1ab3 n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ab3 n LYS 4 N 0.00 0.00 -0.39 1.09 5.02 -1.26 -2.66 118.16 119.97 1ab3 n LYS 4 Ca 0.00 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.58 1ab3 n LYS 4 Cb 0.00 -0.94 0.19 0.00 -0.02 0.00 0.00 35.03 34.26 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ab3 n GLU 5 N -0.69 2.68 -0.08 1.97 1.02 -1.26 -3.56 120.64 120.73 1ab3 n GLU 5 Ca 0.00 -1.46 0.09 0.00 -0.02 0.00 0.00 57.16 55.76 1ab3 n GLU 5 Cb 0.00 -1.76 0.34 0.00 -0.02 0.00 0.00 31.44 30.00 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ab3 n GLU 6 N 0.34 1.54 0.00 3.49 -0.58 -1.09 -4.21 120.64 120.14 1ab3 n GLU 6 Ca 0.13 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1ab3 n GLU 6 Cb 0.63 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ab3 n LYS 7 N 0.07 0.00 -0.24 3.49 -0.00 -1.25 -4.45 118.16 115.78 1ab3 n LYS 7 Ca 0.14 0.00 0.24 0.00 -0.00 0.00 0.00 58.31 58.69 1ab3 n LYS 7 Cb 0.24 -0.23 0.60 0.00 -0.00 0.00 0.00 35.03 35.65 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ab3 h GLN 8 N 0.00 0.22 0.00 -1.58 4.20 -1.73 0.33 115.11 116.55 1ab3 h GLN 8 Ca 0.00 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 1ab3 h GLN 8 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ab3 h GLN 8 CO 0.00 0.15 -0.91 1.57 -0.67 0.00 0.00 178.83 178.97 1ab3 h LYS 9 N 0.23 0.29 0.05 1.46 2.10 -1.89 -1.01 116.57 117.79 1ab3 h LYS 9 Ca 0.49 -0.31 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1ab3 h LYS 9 Cb 1.51 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 1ab3 h LYS 9 CO -0.13 1.02 -0.02 0.28 -2.00 0.00 0.00 179.45 178.60 1ab3 h VAL 10 N 0.16 1.01 -0.04 0.07 2.07 -0.68 -2.87 116.25 115.97 1ab3 h VAL 10 Ca -0.06 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1ab3 h VAL 10 Cb 1.54 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1ab3 h VAL 10 CO 0.15 0.05 -0.31 0.16 0.02 0.00 0.00 177.57 177.63 1ab3 h ILE 11 N -0.15 1.46 -1.34 4.57 -2.65 -1.52 -1.25 117.51 116.63 1ab3 h ILE 11 Ca -0.01 -1.81 0.45 0.00 1.03 0.00 0.00 64.86 64.53 1ab3 h ILE 11 Cb 0.13 2.49 -0.12 0.00 -2.05 0.00 0.00 36.82 37.26 1ab3 h ILE 11 CO 0.01 0.51 0.88 0.00 0.03 0.00 0.00 178.15 179.58 1ab3 n GLN 12 N -4.45 -0.03 -0.01 0.16 1.13 -0.38 0.28 117.38 114.08 1ab3 n GLN 12 Ca -0.09 1.14 -0.18 0.00 -1.94 0.00 0.00 57.00 55.93 1ab3 n GLN 12 Cb 0.51 -2.29 -0.14 0.00 0.11 0.00 0.00 30.24 28.43 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ab3 n GLU 13 N -4.47 0.73 -0.01 -1.09 -0.58 -1.09 -4.65 120.64 109.49 1ab3 n GLU 13 Ca 0.38 0.26 -0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1ab3 n GLU 13 Cb 1.50 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1ab3 h PHE 14 N 0.05 0.00 -2.65 -0.32 -1.00 0.51 -3.46 116.94 110.08 1ab3 h PHE 14 Ca -0.40 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.85 1ab3 h PHE 14 Cb 2.03 0.00 0.04 0.00 3.61 0.00 0.00 35.95 41.63 1ab3 h PHE 14 CO 0.06 0.00 1.02 0.00 -1.61 0.00 0.00 178.31 177.78 1ab3 s ALA 15 N -2.96 3.80 -0.31 2.45 0.00 0.80 -4.85 121.76 120.69 1ab3 s ALA 15 Ca -0.01 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.40 1ab3 s ALA 15 Cb 0.00 -3.71 0.45 0.00 0.00 0.00 0.00 23.12 19.86 1ab3 s ALA 15 CO 0.02 -1.05 1.60 2.89 0.00 0.00 0.00 175.76 179.22 1ab3 n ARG 16 N 4.94 1.92 -3.71 0.00 0.00 -1.26 -4.17 116.66 114.39 1ab3 n ARG 16 Ca 0.16 -2.01 -0.04 0.00 -0.00 0.00 0.00 57.85 55.96 1ab3 n ARG 16 Cb 0.38 -1.80 -0.01 0.00 -0.00 0.00 0.00 32.46 31.03 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ab3 s PHE 17 N -2.20 -0.15 -1.90 2.89 0.08 -1.26 -4.92 117.98 110.52 1ab3 s PHE 17 Ca 0.38 -0.11 0.22 0.00 0.12 0.00 0.00 56.93 57.54 1ab3 s PHE 17 Cb 0.32 0.61 1.31 0.00 -0.57 0.00 0.00 43.02 44.69 1ab3 s PHE 17 CO 0.07 -0.72 1.72 -0.35 -0.10 0.00 0.00 175.22 175.84 1ab3 n PRO 18 N -0.44 0.64 0.00 0.24 -0.04 -1.26 -2.78 135.00 131.36 1ab3 n PRO 18 Ca -0.07 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ab3 n PRO 18 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1ab3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab3 n GLY 19 N 0.44 -0.50 1.27 0.55 0.00 -1.26 -4.77 105.19 100.92 1ab3 n GLY 19 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab3 n ASP 20 N -0.03 3.56 0.03 1.61 9.92 -1.12 -3.60 116.55 126.92 1ab3 n ASP 20 Ca 0.00 -2.52 0.06 0.00 -0.53 0.00 0.00 54.79 51.81 1ab3 n ASP 20 Cb 0.32 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 40.10 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ab3 n THR 21 N 0.31 0.65 1.24 -3.53 5.66 -1.26 -3.74 114.28 113.62 1ab3 n THR 21 Ca 0.16 -0.60 0.14 0.00 -3.05 0.00 0.00 64.05 60.69 1ab3 n THR 21 Cb 0.78 -0.35 0.57 0.00 -1.55 0.00 0.00 70.33 69.78 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab3 n GLY 22 N 1.32 -1.17 3.70 1.09 0.00 -1.24 -4.24 105.19 104.65 1ab3 n GLY 22 Ca -0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1ab3 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ab3 s SER 23 N -2.70 3.50 0.47 1.61 0.01 -1.25 -4.84 113.70 110.50 1ab3 s SER 23 Ca 0.22 2.22 0.32 0.00 1.31 0.00 0.00 55.95 60.02 1ab3 s SER 23 Cb 0.19 -2.57 1.53 0.00 0.21 0.00 0.00 66.02 65.38 1ab3 s SER 23 CO 0.52 -2.72 1.96 0.74 0.41 0.00 0.00 173.24 174.15 1ab3 h THR 24 N -1.26 0.00 0.30 1.44 2.02 -1.92 -2.74 112.91 110.75 1ab3 h THR 24 Ca -0.45 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1ab3 h THR 24 Cb 1.28 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1ab3 h THR 24 CO 0.45 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.87 1ab3 h GLU 25 N 0.00 -0.39 -0.65 6.66 5.08 -1.91 -1.83 114.58 121.53 1ab3 h GLU 25 Ca 0.00 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 1ab3 h GLU 25 Cb 0.23 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1ab3 h GLU 25 CO 0.00 -0.26 0.45 0.28 -1.00 0.00 0.00 179.01 178.48 1ab3 h VAL 26 N -0.80 0.73 0.03 3.13 2.07 -1.78 -1.10 116.25 118.53 1ab3 h VAL 26 Ca -0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ab3 h VAL 26 Cb 0.31 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ab3 h VAL 26 CO 0.07 0.02 -0.02 1.56 0.02 0.00 0.00 177.57 179.23 1ab3 h GLN 27 N 0.13 -0.04 -1.19 1.57 4.20 -1.48 -2.03 115.11 116.27 1ab3 h GLN 27 Ca 0.31 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.37 1ab3 h GLN 27 Cb 1.05 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.78 1ab3 h GLN 27 CO -0.04 0.30 0.83 0.28 -0.67 0.00 0.00 178.83 179.53 1ab3 h VAL 28 N -0.39 0.40 -0.20 -0.54 2.07 -0.31 1.15 116.25 118.42 1ab3 h VAL 28 Ca -0.00 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1ab3 h VAL 28 Cb 0.37 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ab3 h VAL 28 CO 0.01 0.02 -0.12 0.00 0.02 0.00 0.00 177.57 177.50 1ab3 h ALA 29 N 1.46 0.28 0.00 1.67 0.00 -1.14 -1.70 119.26 119.83 1ab3 h ALA 29 Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ab3 h ALA 29 Cb 2.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1ab3 h ALA 29 CO -0.11 0.14 0.00 1.47 0.00 0.00 0.00 179.25 180.75 1ab3 n LEU 30 N -4.53 0.42 0.13 0.00 -0.00 0.37 -1.24 117.00 112.15 1ab3 n LEU 30 Ca -0.05 0.64 -0.01 0.00 -0.00 0.00 0.00 56.01 56.58 1ab3 n LEU 30 Cb 0.34 -0.62 0.21 0.00 -0.00 0.00 0.00 43.42 43.35 1ab3 n LEU 30 CO 0.40 -0.61 0.57 0.17 -0.00 0.00 0.00 177.39 177.92 1ab3 h LEU 31 N 0.00 0.11 -0.12 1.47 8.10 0.28 -2.90 115.31 122.25 1ab3 h LEU 31 Ca 0.00 -0.05 -0.15 0.00 0.11 0.00 0.00 57.88 57.79 1ab3 h LEU 31 Cb 0.19 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1ab3 h LEU 31 CO 0.00 0.61 -0.49 0.00 -4.11 0.00 0.00 178.44 174.45 1ab3 h THR 32 N 0.08 1.35 0.46 0.15 1.03 -1.14 -3.09 112.91 111.75 1ab3 h THR 32 Ca -0.00 -1.79 -0.01 0.00 -0.01 0.00 0.00 66.41 64.60 1ab3 h THR 32 Cb 0.94 2.12 -0.02 0.00 -1.07 0.00 0.00 68.15 70.12 1ab3 h THR 32 CO 0.07 0.54 -0.49 0.25 -0.01 0.00 0.00 175.52 175.89 1ab3 h LEU 33 N 0.18 -1.34 -1.91 0.00 5.85 -1.52 0.92 115.31 117.48 1ab3 h LEU 33 Ca -0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ab3 h LEU 33 Cb 1.13 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1ab3 h LEU 33 CO 0.10 -0.64 0.36 0.03 -0.34 0.00 0.00 178.44 177.95 1ab3 h ARG 34 N -0.96 0.00 0.01 1.25 3.08 -1.60 -0.17 114.38 115.99 1ab3 h ARG 34 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ab3 h ARG 34 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1ab3 h ARG 34 CO -0.08 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.64 1ab3 h ILE 35 N 0.00 1.54 -0.90 2.04 5.03 -0.77 -2.77 117.51 121.68 1ab3 h ILE 35 Ca 0.00 -1.93 -0.01 0.00 -0.12 0.00 0.00 64.86 62.80 1ab3 h ILE 35 Cb 0.72 2.81 -0.04 0.00 -3.03 0.00 0.00 36.82 37.27 1ab3 h ILE 35 CO 0.00 0.48 0.52 0.78 -0.68 0.00 0.00 178.15 179.25 1ab3 h ASN 36 N -0.88 1.09 -0.14 1.72 2.35 -0.05 -0.89 115.58 118.78 1ab3 h ASN 36 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ab3 h ASN 36 Cb 0.80 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1ab3 h ASN 36 CO 0.00 0.86 0.00 -1.14 -1.65 0.00 0.00 177.43 175.50 1ab3 n ARG 37 N -4.37 1.35 -0.02 0.81 0.00 -0.71 -3.37 116.66 110.34 1ab3 n ARG 37 Ca 0.10 -0.52 -0.15 0.00 -0.00 0.00 0.00 57.85 57.27 1ab3 n ARG 37 Cb 0.07 -1.13 -0.14 0.00 0.00 0.00 0.00 32.46 31.27 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ab3 n LEU 38 N -0.07 1.68 0.14 6.15 -0.00 -0.34 -3.88 117.00 120.68 1ab3 n LEU 38 Ca 0.05 0.28 0.13 0.00 -0.00 0.00 0.00 56.01 56.46 1ab3 n LEU 38 Cb 0.13 -0.42 0.49 0.00 -0.00 0.00 0.00 43.42 43.62 1ab3 n LEU 38 CO 0.03 0.62 0.87 -1.28 -0.00 0.00 0.00 177.39 177.64 1ab3 h SER 39 N 0.03 0.00 -0.34 1.96 0.87 -1.56 -2.61 113.55 111.90 1ab3 h SER 39 Ca -0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 1ab3 h SER 39 Cb 2.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 1ab3 h SER 39 CO 0.07 0.00 0.02 -0.62 -0.53 0.00 0.00 176.83 175.77 1ab3 n GLU 40 N -2.34 3.13 -0.04 2.24 4.71 -1.25 -4.26 120.64 122.82 1ab3 n GLU 40 Ca 0.03 -1.77 -0.00 0.00 -0.01 0.00 0.00 57.16 55.40 1ab3 n GLU 40 Cb 0.28 -1.92 -0.00 0.00 -1.01 0.00 0.00 31.44 28.79 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ab3 h HIS 41 N 2.16 -0.01 0.00 -0.32 2.76 -1.66 -3.29 115.15 114.78 1ab3 h HIS 41 Ca 0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1ab3 h HIS 41 Cb 1.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1ab3 h HIS 41 CO 0.63 -0.01 0.00 1.28 -1.30 0.00 0.00 177.93 178.54 1ab3 n LEU 42 N -4.71 0.00 -0.69 0.26 4.77 -1.26 -1.67 117.00 113.70 1ab3 n LEU 42 Ca -0.00 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1ab3 n LEU 42 Cb 0.00 -0.20 0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1ab3 n LEU 42 CO 0.00 -0.09 0.43 0.29 -1.33 0.00 0.00 177.39 176.70 1ab3 n LYS 43 N -1.20 1.76 0.00 3.23 4.76 -1.24 -4.06 118.16 121.41 1ab3 n LYS 43 Ca 0.09 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.85 1ab3 n LYS 43 Cb 0.11 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ab3 n VAL 44 N 0.10 0.00 -1.68 -0.18 0.31 -1.09 -5.09 118.33 110.71 1ab3 n VAL 44 Ca 0.06 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.91 1ab3 n VAL 44 Cb 0.38 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 1ab3 n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ab3 n HIS 45 N -1.52 2.34 -0.47 3.52 8.25 -0.67 -4.79 115.22 121.87 1ab3 n HIS 45 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1ab3 n HIS 45 Cb 0.00 -2.67 0.00 0.00 1.12 0.00 0.00 29.99 28.44 1ab3 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ab3 n LYS 46 N 6.69 -0.08 -2.73 -0.41 5.02 -1.26 -4.84 118.16 120.55 1ab3 n LYS 46 Ca 0.23 -0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1ab3 n LYS 46 Cb 0.30 -0.68 0.08 0.00 -0.02 0.00 0.00 35.03 34.71 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ab3 n LYS 47 N -0.05 0.81 -2.83 1.97 5.02 -1.26 -5.07 118.16 116.75 1ab3 n LYS 47 Ca 0.00 -1.68 0.02 0.00 -2.02 0.00 0.00 58.31 54.63 1ab3 n LYS 47 Cb 0.12 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1ab3 n LYS 47 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ab3 s ASP 48 N -1.23 -0.36 0.24 4.39 -1.08 -1.26 -5.14 116.67 112.22 1ab3 s ASP 48 Ca 0.25 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1ab3 s ASP 48 Cb 0.27 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.30 1ab3 s ASP 48 CO -0.13 -0.04 0.00 1.41 0.52 0.00 0.00 175.17 176.93 1ab3 n HIS 49 N 3.91 -2.25 -1.10 -5.34 8.25 -1.26 -4.16 115.22 113.28 1ab3 n HIS 49 Ca 0.06 0.49 0.03 0.00 -0.26 0.00 0.00 57.72 58.05 1ab3 n HIS 49 Cb 0.62 -0.87 0.26 0.00 1.12 0.00 0.00 29.99 31.13 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ab3 n HIS 50 N -1.65 1.30 -4.25 4.41 8.25 -1.26 -4.95 115.22 117.08 1ab3 n HIS 50 Ca 0.00 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 1ab3 n HIS 50 Cb 0.18 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab3 n SER 51 N -0.53 -2.85 -0.69 0.41 7.64 -1.26 -4.79 113.62 111.55 1ab3 n SER 51 Ca 0.28 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 1ab3 n SER 51 Cb 1.03 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.19 1ab3 n SER 51 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ab3 n HIS 52 N -0.20 0.00 -1.54 1.43 8.25 -1.26 -4.79 115.22 117.10 1ab3 n HIS 52 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1ab3 n HIS 52 Cb 0.00 -2.61 -0.12 0.00 1.12 0.00 0.00 29.99 28.38 1ab3 n HIS 52 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1ab3 n ARG 53 N -0.52 0.38 -1.51 -0.41 0.63 -1.26 -2.03 116.66 111.94 1ab3 n ARG 53 Ca -0.09 -0.53 -0.12 0.00 -0.92 0.00 0.00 57.85 56.19 1ab3 n ARG 53 Cb 0.57 -2.77 -0.04 0.00 0.45 0.00 0.00 32.46 30.67 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ab3 n GLY 54 N 6.35 0.88 1.66 5.14 0.00 -1.26 -4.75 105.19 113.21 1ab3 n GLY 54 Ca 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 1ab3 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab3 n LEU 55 N -1.94 5.16 -0.08 0.99 7.99 -0.86 -3.90 117.00 124.36 1ab3 n LEU 55 Ca -0.12 -2.69 -0.10 0.00 -0.01 0.00 0.00 56.01 53.09 1ab3 n LEU 55 Cb 0.42 -0.74 -0.07 0.00 -0.11 0.00 0.00 43.42 42.91 1ab3 n LEU 55 CO 0.18 0.86 -1.00 0.18 -1.51 0.00 0.00 177.39 176.10 1ab3 n LEU 56 N -0.18 2.68 -0.24 2.23 4.77 -1.26 -4.50 117.00 120.50 1ab3 n LEU 56 Ca 0.30 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1ab3 n LEU 56 Cb 0.98 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1ab3 n LEU 56 CO 0.32 0.72 0.61 -0.03 -1.33 0.00 0.00 177.39 177.67 1ab3 h MET 57 N 0.00 -0.14 -0.98 3.23 4.05 -1.98 0.53 114.93 119.65 1ab3 h MET 57 Ca -0.35 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.23 1ab3 h MET 57 Cb 1.56 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 32.30 1ab3 h MET 57 CO -0.05 -0.09 0.62 0.00 0.23 0.00 0.00 176.91 177.62 1ab3 h MET 58 N -0.14 0.82 -0.24 0.39 -0.00 -1.84 0.24 114.93 114.16 1ab3 h MET 58 Ca 0.24 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.83 1ab3 h MET 58 Cb 0.56 -0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1ab3 h MET 58 CO -0.74 0.54 -0.11 0.28 -0.00 0.00 0.00 176.91 176.88 1ab3 h VAL 59 N 0.85 1.21 -0.28 -0.10 2.07 -0.23 -1.45 116.25 118.31 1ab3 h VAL 59 Ca 0.51 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ab3 h VAL 59 Cb 0.69 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1ab3 h VAL 59 CO -0.29 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1ab3 n GLY 60 N -0.76 0.61 1.24 2.17 0.00 0.68 -3.90 105.19 105.23 1ab3 n GLY 60 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1ab3 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ab3 n GLN 61 N 0.53 3.08 -0.02 1.61 6.02 -0.16 -3.95 117.38 124.49 1ab3 n GLN 61 Ca 0.15 -1.70 -0.04 0.00 -0.01 0.00 0.00 57.00 55.40 1ab3 n GLN 61 Cb 0.35 -1.90 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ab3 n ARG 62 N 0.35 0.10 0.19 -1.09 0.63 -1.25 -3.16 116.66 112.43 1ab3 n ARG 62 Ca 0.15 0.03 0.13 0.00 -0.92 0.00 0.00 57.85 57.24 1ab3 n ARG 62 Cb 0.75 -0.88 0.69 0.00 0.45 0.00 0.00 32.46 33.48 1ab3 n ARG 62 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ab3 h ARG 63 N -0.08 0.00 0.00 -0.14 1.12 -1.81 -2.50 114.38 110.98 1ab3 h ARG 63 Ca -0.10 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.64 1ab3 h ARG 63 Cb 1.12 0.00 -0.25 0.00 -0.01 0.00 0.00 29.97 30.83 1ab3 h ARG 63 CO -0.04 0.00 -0.76 -2.13 -3.11 0.00 0.00 179.97 173.93 1ab3 n ARG 64 N -2.40 0.00 0.21 0.20 0.63 -1.26 -4.86 116.66 109.18 1ab3 n ARG 64 Ca -0.02 -1.54 0.13 0.00 -0.92 0.00 0.00 57.85 55.50 1ab3 n ARG 64 Cb 0.05 -0.02 0.69 0.00 0.45 0.00 0.00 32.46 33.62 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ab3 h LEU 65 N 0.59 0.00 -1.83 6.15 6.46 -1.40 -1.90 115.31 123.39 1ab3 h LEU 65 Ca -0.23 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1ab3 h LEU 65 Cb 1.68 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1ab3 h LEU 65 CO 0.01 0.00 0.41 0.17 -0.62 0.00 0.00 178.44 178.42 1ab3 h LEU 66 N 0.00 0.00 -1.17 2.25 8.10 -1.87 0.19 115.31 122.81 1ab3 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ab3 h LEU 66 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1ab3 h LEU 66 CO 0.00 0.00 0.00 -2.11 -4.11 0.00 0.00 178.44 172.22 1ab3 n ARG 67 N -2.99 1.35 0.00 0.17 -4.01 -0.72 -0.87 116.66 109.59 1ab3 n ARG 67 Ca -0.00 -0.29 0.00 0.00 -1.04 0.00 0.00 57.85 56.52 1ab3 n ARG 67 Cb 0.48 -1.53 0.00 0.00 -3.04 0.00 0.00 32.46 28.37 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1ab3 n TYR 68 N 0.03 0.00 -0.06 2.89 9.36 0.67 -4.75 117.16 125.30 1ab3 n TYR 68 Ca 0.03 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.17 1ab3 n TYR 68 Cb 0.32 0.04 -0.06 0.00 -0.63 0.00 0.00 39.34 39.01 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ab3 h LEU 69 N 0.00 0.00 -1.95 2.98 5.85 -1.76 -3.03 115.31 117.40 1ab3 h LEU 69 Ca 0.00 -0.46 0.23 0.00 0.84 0.00 0.00 57.88 58.49 1ab3 h LEU 69 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ab3 h LEU 69 CO 0.00 0.77 0.64 -0.61 -0.34 0.00 0.00 178.44 178.90 1ab3 h GLN 70 N -1.00 0.00 -0.20 1.25 4.15 -1.68 0.31 115.11 117.94 1ab3 h GLN 70 Ca -0.01 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.20 1ab3 h GLN 70 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1ab3 h GLN 70 CO -0.01 0.00 -0.68 0.00 -1.93 0.00 0.00 178.83 176.21 1ab3 h ARG 71 N 0.00 0.77 -0.73 1.69 2.47 -1.05 -2.93 114.38 114.60 1ab3 h ARG 71 Ca 0.38 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1ab3 h ARG 71 Cb 1.65 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1ab3 h ARG 71 CO -0.00 1.19 0.00 0.39 0.56 0.00 0.00 179.97 182.10 1ab3 n GLU 72 N -3.95 2.59 0.00 0.04 1.02 0.10 -4.75 120.64 115.69 1ab3 n GLU 72 Ca -0.06 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1ab3 n GLU 72 Cb 0.69 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ab3 n ASP 73 N 0.32 0.00 0.17 1.62 9.92 -0.78 -4.99 116.55 122.81 1ab3 n ASP 73 Ca 0.12 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.43 1ab3 n ASP 73 Cb 0.61 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.29 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1ab3 h PRO 74 N 0.00 0.00 0.03 -0.24 0.13 -1.82 -3.10 132.00 127.00 1ab3 h PRO 74 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1ab3 h PRO 74 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1ab3 h PRO 74 CO 0.00 0.43 -0.84 1.49 -0.23 0.00 0.00 178.00 178.85 1ab3 h GLU 75 N 0.00 0.52 0.00 0.86 4.81 -1.95 -2.79 114.58 116.03 1ab3 h GLU 75 Ca -0.00 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1ab3 h GLU 75 Cb 1.12 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ab3 h GLU 75 CO 0.06 1.22 0.03 0.00 -0.73 0.00 0.00 179.01 179.58 1ab3 h ARG 76 N 0.07 0.00 -1.46 1.92 3.08 -1.89 -1.55 114.38 114.56 1ab3 h ARG 76 Ca -0.11 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 1ab3 h ARG 76 Cb 1.54 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.49 1ab3 h ARG 76 CO 0.16 0.00 0.26 0.98 -1.07 0.00 0.00 179.97 180.30 1ab3 n TYR 77 N -2.61 1.03 -2.02 3.04 9.36 -1.05 -3.63 117.16 121.28 1ab3 n TYR 77 Ca -0.02 -1.42 -0.02 0.00 3.32 0.00 0.00 57.90 59.75 1ab3 n TYR 77 Cb 0.07 -0.70 -0.02 0.00 -0.63 0.00 0.00 39.34 38.06 1ab3 n TYR 77 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1ab3 n ARG 78 N 0.47 0.00 0.00 2.98 1.85 -0.58 -4.91 116.66 116.48 1ab3 n ARG 78 Ca 0.20 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 1ab3 n ARG 78 Cb 0.66 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 32.21 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ab3 n ALA 79 N 0.02 2.93 0.64 2.89 0.00 -1.24 -4.77 120.51 120.99 1ab3 n ALA 79 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1ab3 n ALA 79 Cb 0.60 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.38 1ab3 n ALA 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ab3 n LEU 80 N -2.40 0.00 -0.02 0.00 7.94 -1.26 -1.89 117.00 119.37 1ab3 n LEU 80 Ca 0.00 0.21 -0.05 0.00 -1.11 0.00 0.00 56.01 55.07 1ab3 n LEU 80 Cb 0.00 -0.21 0.17 0.00 0.53 0.00 0.00 43.42 43.90 1ab3 n LEU 80 CO 0.00 -0.13 0.74 0.16 -1.11 0.00 0.00 177.39 177.05 1ab3 h ILE 81 N 0.00 1.26 -0.00 1.96 -0.00 -1.86 -0.63 117.51 118.25 1ab3 h ILE 81 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 64.86 63.60 1ab3 h ILE 81 Cb 0.09 1.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.17 1ab3 h ILE 81 CO 0.00 0.41 -0.04 1.21 -0.00 0.00 0.00 178.15 179.73 1ab3 n GLU 82 N -4.13 0.59 -2.83 0.16 0.00 -0.79 -4.01 120.64 109.63 1ab3 n GLU 82 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 57.16 56.95 1ab3 n GLU 82 Cb 0.40 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.36 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ab3 n LYS 83 N -1.12 1.09 0.00 5.31 5.02 -0.37 -4.89 118.16 123.19 1ab3 n LYS 83 Ca 0.15 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1ab3 n LYS 83 Cb 0.24 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1ab3 n LEU 84 N 0.02 0.00 0.00 -0.35 -0.00 -0.45 -4.88 117.00 111.35 1ab3 n LEU 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1ab3 n LEU 84 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 1ab3 n LEU 84 CO 0.21 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1ab3 n GLY 85 N -0.49 0.90 0.00 1.47 0.00 -1.26 -4.72 105.19 101.08 1ab3 n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ab3 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab3 n ILE 86 N 0.00 0.00 0.00 -0.61 0.13 -1.26 -5.00 119.36 112.63 1ab3 n ILE 86 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ab3 n ILE 86 Cb 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.52 1ab3 n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ab3 n ARG 87 N -0.34 0.00 -0.72 9.51 1.74 -1.26 -4.78 116.66 120.81 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52