#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 -2.69 0.52 -6.64 -1.26 -5.06 119.36 104.23 1ab3 n ILE 2 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1ab3 n ILE 2 Cb 0.00 -0.03 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1ab3 n THR 3 N -3.00 0.00 0.00 7.28 5.66 -1.26 -4.94 114.28 118.02 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 0.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.42 1.09 5.02 -1.26 -2.36 118.16 120.23 1ab3 n LYS 4 Ca 0.00 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.34 1ab3 n LYS 4 Cb 0.00 -0.51 0.20 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.03 2.83 -0.06 1.97 1.02 -1.26 -3.51 120.64 121.60 1ab3 n GLU 5 Ca 0.00 -1.56 0.08 0.00 -0.02 0.00 0.00 57.16 55.66 1ab3 n GLU 5 Cb 0.00 -1.81 0.36 0.00 -0.02 0.00 0.00 31.44 29.97 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 0.35 1.42 0.00 3.49 1.02 -1.00 -4.06 120.64 121.86 1ab3 n GLU 6 Ca 0.14 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1ab3 n GLU 6 Cb 0.67 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1ab3 n LYS 7 N -0.11 0.00 -0.24 3.49 -0.00 -1.24 -4.31 118.16 115.74 1ab3 n LYS 7 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.51 1ab3 n LYS 7 Cb 0.20 -0.12 0.33 0.00 -0.00 0.00 0.00 35.03 35.43 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 0.79 0.00 -1.58 1.08 -1.73 0.40 115.11 114.06 1ab3 h GLN 8 Ca 0.00 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 1ab3 h GLN 8 Cb 0.00 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1ab3 h GLN 8 CO 0.00 0.52 -0.55 -0.22 -0.95 0.00 0.00 178.83 177.63 1ab3 h LYS 9 N 0.81 0.00 0.37 1.46 3.64 -1.87 -0.96 116.57 120.03 1ab3 h LYS 9 Ca 0.37 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1ab3 h LYS 9 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ab3 h LYS 9 CO -0.14 0.55 -0.18 0.28 -2.27 0.00 0.00 179.45 177.69 1ab3 h VAL 10 N 0.00 0.63 -0.11 2.00 2.07 -1.23 -2.99 116.25 116.62 1ab3 h VAL 10 Ca -0.01 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1ab3 h VAL 10 Cb 1.12 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ab3 h VAL 10 CO 0.07 0.07 -0.25 0.16 0.02 0.00 0.00 177.57 177.64 1ab3 h ILE 11 N -0.71 1.38 -1.26 4.57 -2.65 -1.51 -1.27 117.51 116.07 1ab3 h ILE 11 Ca -0.05 -1.54 0.43 0.00 1.03 0.00 0.00 64.86 64.73 1ab3 h ILE 11 Cb 0.49 2.10 -0.12 0.00 -2.05 0.00 0.00 36.82 37.23 1ab3 h ILE 11 CO 0.08 0.45 0.81 0.00 0.03 0.00 0.00 178.15 179.52 1ab3 n GLN 12 N -4.46 -0.03 -0.01 0.16 1.13 -0.36 0.28 117.38 114.08 1ab3 n GLN 12 Ca -0.07 1.13 -0.18 0.00 -1.94 0.00 0.00 57.00 55.94 1ab3 n GLN 12 Cb 0.45 -2.23 -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 -4.49 0.72 -0.01 -1.09 -0.58 -1.13 -4.65 120.64 109.42 1ab3 n GLU 13 Ca 0.36 0.26 -0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1ab3 n GLU 13 Cb 1.42 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 30.58 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 -2.42 -0.32 -1.00 0.51 -3.45 116.94 110.31 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 0.03 0.00 3.61 0.00 0.00 35.95 41.62 1ab3 h PHE 14 CO 0.06 0.00 1.20 0.00 -1.61 0.00 0.00 178.31 177.95 1ab3 s ALA 15 N -2.96 3.65 -0.31 2.45 0.00 0.80 -4.83 121.76 120.56 1ab3 s ALA 15 Ca -0.01 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ab3 s ALA 15 Cb 0.00 -3.82 0.42 0.00 0.00 0.00 0.00 23.12 19.72 1ab3 s ALA 15 CO 0.02 -1.46 1.65 2.89 0.00 0.00 0.00 175.76 178.86 1ab3 n ARG 16 N 6.89 1.85 -3.65 0.00 0.00 -1.26 -4.21 116.66 116.28 1ab3 n ARG 16 Ca 0.19 -1.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.05 1ab3 n ARG 16 Cb 0.40 -1.78 -0.01 0.00 -0.00 0.00 0.00 32.46 31.07 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 -0.07 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.49 1ab3 s PHE 17 Ca 0.38 -0.08 0.18 0.00 0.12 0.00 0.00 56.93 57.53 1ab3 s PHE 17 Cb 0.32 0.57 1.08 0.00 -0.57 0.00 0.00 43.02 44.42 1ab3 s PHE 17 CO 0.06 -0.41 1.53 -0.35 -0.10 0.00 0.00 175.22 175.95 1ab3 n PRO 18 N -0.47 0.71 0.00 0.24 -0.04 -1.26 -2.52 135.00 131.65 1ab3 n PRO 18 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ab3 n PRO 18 Cb 0.62 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.38 0.15 1.13 0.55 0.00 -1.26 -4.68 105.19 101.46 1ab3 n GLY 19 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.23 3.19 0.08 1.61 9.92 -1.05 -3.64 116.55 126.43 1ab3 n ASP 20 Ca 0.00 -2.39 0.07 0.00 -0.53 0.00 0.00 54.79 51.94 1ab3 n ASP 20 Cb 0.06 -0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 39.99 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ab3 h THR 21 N 2.10 0.20 -0.02 -3.53 1.03 -1.84 -3.30 112.91 107.55 1ab3 h THR 21 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 1ab3 h THR 21 Cb 1.13 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.93 1ab3 h THR 21 CO 0.21 0.11 -0.08 0.61 -0.01 0.00 0.00 175.52 176.36 1ab3 n GLY 22 N 1.26 0.57 1.40 2.99 0.00 -1.24 -4.64 105.19 105.52 1ab3 n GLY 22 Ca -0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ab3 n SER 23 N 0.95 -2.18 0.02 1.61 2.88 -1.24 -4.83 113.62 110.83 1ab3 n SER 23 Ca 0.12 -0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.23 1ab3 n SER 23 Cb 0.51 -0.37 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ab3 h THR 24 N -2.24 0.82 0.44 2.46 2.02 -1.93 -3.30 112.91 111.17 1ab3 h THR 24 Ca -0.11 -2.53 -0.02 0.00 0.77 0.00 0.00 66.41 64.52 1ab3 h THR 24 Cb 0.37 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1ab3 h THR 24 CO 0.07 0.80 -0.21 -0.33 0.37 0.00 0.00 175.52 176.21 1ab3 h GLU 25 N 0.06 -0.57 -1.00 6.66 3.07 -1.94 -1.68 114.58 119.18 1ab3 h GLU 25 Ca -0.35 0.04 0.23 0.00 -0.50 0.00 0.00 59.36 58.78 1ab3 h GLU 25 Cb 2.04 0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 29.98 1ab3 h GLU 25 CO 0.11 -0.31 0.64 0.28 -1.40 0.00 0.00 179.01 178.33 1ab3 h VAL 26 N -0.74 0.60 -0.10 3.13 2.07 -1.83 0.15 116.25 119.54 1ab3 h VAL 26 Ca -0.06 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1ab3 h VAL 26 Cb 0.53 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ab3 h VAL 26 CO 0.10 0.09 -0.02 1.56 0.02 0.00 0.00 177.57 179.32 1ab3 h GLN 27 N 0.50 0.19 -1.05 1.57 1.08 -1.55 -2.10 115.11 113.76 1ab3 h GLN 27 Ca 0.57 -0.07 0.29 0.00 -1.45 0.00 0.00 58.65 57.99 1ab3 h GLN 27 Cb 1.27 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.63 1ab3 h GLN 27 CO -0.31 0.50 0.72 0.28 -0.95 0.00 0.00 178.83 179.08 1ab3 h VAL 28 N -0.14 0.50 -0.31 -0.54 2.07 -0.05 0.98 116.25 118.76 1ab3 h VAL 28 Ca 0.02 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1ab3 h VAL 28 Cb 0.43 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ab3 h VAL 28 CO 0.01 0.03 0.01 0.00 0.02 0.00 0.00 177.57 177.64 1ab3 h ALA 29 N 1.53 0.42 0.00 1.67 0.00 -0.81 -1.05 119.26 121.02 1ab3 h ALA 29 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ab3 h ALA 29 Cb 1.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ab3 h ALA 29 CO -0.11 0.17 0.00 1.37 0.00 0.00 0.00 179.25 180.67 1ab3 h LEU 30 N 0.35 0.00 -1.31 0.00 8.10 0.12 -0.98 115.31 121.59 1ab3 h LEU 30 Ca 0.09 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.01 1ab3 h LEU 30 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1ab3 h LEU 30 CO 0.01 0.00 -0.29 0.17 -4.11 0.00 0.00 178.44 174.23 1ab3 h LEU 31 N 0.00 0.09 0.04 0.17 8.10 0.51 -2.77 115.31 121.45 1ab3 h LEU 31 Ca 0.00 -0.03 -0.25 0.00 0.11 0.00 0.00 57.88 57.72 1ab3 h LEU 31 Cb 0.23 -0.02 0.02 0.00 -0.44 0.00 0.00 40.66 40.45 1ab3 h LEU 31 CO 0.00 0.38 -0.99 0.00 -4.11 0.00 0.00 178.44 173.72 1ab3 h THR 32 N 0.08 1.32 0.29 0.15 1.03 -1.13 -3.21 112.91 111.45 1ab3 h THR 32 Ca 0.01 -2.28 -0.01 0.00 -0.01 0.00 0.00 66.41 64.13 1ab3 h THR 32 Cb 0.55 2.55 -0.02 0.00 -1.07 0.00 0.00 68.15 70.17 1ab3 h THR 32 CO 0.04 0.69 -0.37 -0.07 -0.01 0.00 0.00 175.52 175.80 1ab3 h LEU 33 N 0.21 -1.04 -1.72 0.00 4.07 -1.46 0.71 115.31 116.08 1ab3 h LEU 33 Ca -0.13 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ab3 h LEU 33 Cb 1.67 0.36 0.00 0.00 1.08 0.00 0.00 40.66 43.76 1ab3 h LEU 33 CO 0.19 -0.46 0.36 0.03 -1.08 0.00 0.00 178.44 177.48 1ab3 h ARG 34 N -0.68 0.00 0.05 1.13 -0.00 -1.66 -0.45 114.38 112.78 1ab3 h ARG 34 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1ab3 h ARG 34 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.58 1ab3 h ARG 34 CO -0.09 0.00 -0.03 0.82 0.00 0.00 0.00 179.97 180.68 1ab3 h ILE 35 N 0.00 1.21 -0.62 2.04 5.03 -0.90 -2.76 117.51 121.52 1ab3 h ILE 35 Ca 0.00 -1.61 -0.03 0.00 -0.12 0.00 0.00 64.86 63.10 1ab3 h ILE 35 Cb 0.72 2.16 -0.03 0.00 -3.03 0.00 0.00 36.82 36.64 1ab3 h ILE 35 CO 0.00 0.36 0.26 -0.55 -0.68 0.00 0.00 178.15 177.54 1ab3 h ASN 36 N -0.88 0.81 -0.17 1.72 7.08 -0.08 -0.93 115.58 123.13 1ab3 h ASN 36 Ca -0.01 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 1ab3 h ASN 36 Cb 0.65 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 1ab3 h ASN 36 CO 0.01 0.71 0.00 0.54 -2.08 0.00 0.00 177.43 176.61 1ab3 n ARG 37 N -4.33 1.42 -0.03 4.14 1.74 -0.70 -3.53 116.66 115.36 1ab3 n ARG 37 Ca 0.05 -0.62 -0.21 0.00 -0.77 0.00 0.00 57.85 56.30 1ab3 n ARG 37 Cb 0.15 -1.16 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 38 N 0.01 2.54 0.24 0.55 7.94 -0.35 -4.06 117.00 123.86 1ab3 n LEU 38 Ca 0.06 0.21 0.12 0.00 -1.11 0.00 0.00 56.01 55.28 1ab3 n LEU 38 Cb 0.16 -1.07 0.52 0.00 0.53 0.00 0.00 43.42 43.56 1ab3 n LEU 38 CO 0.04 0.77 0.85 -1.28 -1.11 0.00 0.00 177.39 176.66 1ab3 h SER 39 N -0.13 0.00 -0.33 1.96 0.87 -1.60 -2.54 113.55 111.78 1ab3 h SER 39 Ca -0.44 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1ab3 h SER 39 Cb 1.90 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 1ab3 h SER 39 CO 0.01 0.16 0.01 -0.62 -0.53 0.00 0.00 176.83 175.87 1ab3 n GLU 40 N -3.33 3.10 0.00 2.24 1.02 -1.25 -3.95 120.64 118.48 1ab3 n GLU 40 Ca 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1ab3 n GLU 40 Cb 0.39 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ab3 n HIS 41 N 0.31 0.00 0.83 -0.32 8.25 -0.96 -4.31 115.22 119.02 1ab3 n HIS 41 Ca 0.16 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.70 1ab3 n HIS 41 Cb 0.79 -0.13 0.42 0.00 1.12 0.00 0.00 29.99 32.19 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ab3 n LEU 42 N -1.62 0.00 -0.79 2.41 4.77 -1.26 -1.69 117.00 118.82 1ab3 n LEU 42 Ca 0.00 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1ab3 n LEU 42 Cb 0.00 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1ab3 n LEU 42 CO 0.00 -0.09 0.45 0.29 -1.33 0.00 0.00 177.39 176.72 1ab3 n LYS 43 N -1.18 1.97 0.00 3.23 5.02 -1.25 -4.09 118.16 121.86 1ab3 n LYS 43 Ca 0.09 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 1ab3 n LYS 43 Cb 0.10 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 n VAL 44 N 0.16 0.00 0.00 -0.18 0.31 -1.08 -5.01 118.33 112.54 1ab3 n VAL 44 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1ab3 n VAL 44 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.43 0.00 -3.67 3.52 8.25 -0.68 -4.83 115.22 116.37 1ab3 n HIS 45 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1ab3 n HIS 45 Cb 0.00 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.74 -6.54 0.00 -0.41 4.76 -1.26 -4.74 118.16 109.22 1ab3 n LYS 46 Ca 0.00 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1ab3 n LYS 46 Cb 0.00 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 27.53 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ab3 n LYS 47 N -4.63 0.00 0.09 1.97 5.02 -1.26 -4.99 118.16 114.36 1ab3 n LYS 47 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1ab3 n LYS 47 Cb 0.59 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.53 1ab3 n LYS 47 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ab3 h ASP 48 N 0.00 -1.07 -4.85 4.39 5.19 -2.00 -3.47 116.42 114.61 1ab3 h ASP 48 Ca 0.00 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1ab3 h ASP 48 Cb 0.00 0.39 0.06 0.00 0.18 0.00 0.00 39.33 39.97 1ab3 h ASP 48 CO 0.00 -0.39 -0.27 1.57 -3.12 0.00 0.00 179.24 177.03 1ab3 n HIS 49 N -4.50 -2.13 -2.05 4.55 -0.00 -1.26 -4.96 115.22 104.86 1ab3 n HIS 49 Ca -0.06 0.79 -0.00 0.00 -0.00 0.00 0.00 57.72 58.45 1ab3 n HIS 49 Cb 0.29 -3.61 -0.00 0.00 -0.00 0.00 0.00 29.99 26.66 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ab3 n HIS 50 N -2.10 0.00 -2.27 1.57 -0.00 -1.26 -5.09 115.22 106.07 1ab3 n HIS 50 Ca -0.02 -0.08 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 1ab3 n HIS 50 Cb 0.54 0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.57 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1ab3 s SER 51 N -0.77 6.94 0.00 0.41 1.04 -1.26 -4.53 113.70 115.54 1ab3 s SER 51 Ca 0.03 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.76 1ab3 s SER 51 Cb 0.04 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1ab3 s SER 51 CO -0.02 -0.51 0.00 1.57 0.98 0.00 0.00 173.24 175.26 1ab3 n HIS 52 N 3.03 0.00 0.21 5.02 -0.00 -1.26 -4.87 115.22 117.35 1ab3 n HIS 52 Ca 0.07 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.97 1ab3 n HIS 52 Cb 0.43 0.00 0.80 0.00 -0.00 0.00 0.00 29.99 31.23 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1ab3 h ARG 53 N 0.00 0.00 -0.04 1.57 -0.00 -2.05 -2.58 114.38 111.28 1ab3 h ARG 53 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.80 1ab3 h ARG 53 Cb 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 29.97 29.64 1ab3 h ARG 53 CO 0.00 0.00 -0.88 0.41 -0.00 0.00 0.00 179.97 179.50 1ab3 n GLY 54 N -1.36 1.01 0.00 0.08 0.00 -1.26 -5.11 105.19 98.55 1ab3 n GLY 54 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1ab3 n GLY 54 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ab3 n LEU 55 N 0.23 0.00 0.00 0.99 -0.00 -0.97 -4.84 117.00 112.40 1ab3 n LEU 55 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1ab3 n LEU 55 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 1ab3 n LEU 55 CO -0.05 -0.34 0.07 0.18 -0.00 0.00 0.00 177.39 177.25 1ab3 n LEU 56 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -4.37 117.00 114.18 1ab3 n LEU 56 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1ab3 n LEU 56 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ab3 n LEU 56 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.29 1ab3 n MET 57 N -0.26 0.00 -0.43 3.23 2.81 -1.26 -1.85 117.12 119.36 1ab3 n MET 57 Ca 0.00 0.00 0.38 0.00 -1.81 0.00 0.00 57.70 56.27 1ab3 n MET 57 Cb 0.00 0.00 0.72 0.00 -0.71 0.00 0.00 33.22 33.23 1ab3 n MET 57 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1ab3 h MET 58 N 0.00 0.06 0.02 0.03 2.86 -1.92 0.42 114.93 116.41 1ab3 h MET 58 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ab3 h MET 58 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ab3 h MET 58 CO 0.00 0.04 -0.01 0.28 1.06 0.00 0.00 176.91 178.28 1ab3 h VAL 59 N 0.07 1.00 0.00 -2.22 2.07 -1.67 -1.63 116.25 113.87 1ab3 h VAL 59 Ca 0.69 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 68.08 1ab3 h VAL 59 Cb 2.55 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1ab3 h VAL 59 CO -0.10 0.02 -0.26 1.23 0.02 0.00 0.00 177.57 178.47 1ab3 h GLY 60 N -0.06 0.00 -2.47 2.17 0.00 -0.47 -2.23 103.07 100.01 1ab3 h GLY 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ab3 h GLY 60 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1ab3 n GLN 61 N -3.60 3.25 0.00 4.80 6.02 -0.53 -3.69 117.38 123.63 1ab3 n GLN 61 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1ab3 n GLN 61 Cb 0.39 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.72 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 0.37 0.97 -0.30 -1.09 0.63 -0.68 -3.76 116.66 112.79 1ab3 n ARG 62 Ca 0.16 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.31 1ab3 n ARG 62 Cb 0.80 -0.94 0.51 0.00 0.45 0.00 0.00 32.46 33.28 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 0.00 0.38 0.00 -0.14 9.65 -1.62 -2.90 114.38 119.75 1ab3 h ARG 63 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1ab3 h ARG 63 Cb 0.07 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1ab3 h ARG 63 CO 0.00 0.25 -0.94 0.54 2.80 0.00 0.00 179.97 182.62 1ab3 n ARG 64 N -4.58 1.08 -2.01 0.20 5.12 -1.26 -4.84 116.66 110.37 1ab3 n ARG 64 Ca 0.24 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.11 1ab3 n ARG 64 Cb 0.84 -0.97 -0.01 0.00 -1.16 0.00 0.00 32.46 31.16 1ab3 n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ab3 n LEU 65 N -1.51 -0.41 0.03 0.55 7.94 -1.10 -4.70 117.00 117.80 1ab3 n LEU 65 Ca 0.00 0.29 0.11 0.00 -1.11 0.00 0.00 56.01 55.31 1ab3 n LEU 65 Cb 0.10 -1.30 0.05 0.00 0.53 0.00 0.00 43.42 42.80 1ab3 n LEU 65 CO 0.00 -0.12 0.07 -0.11 -1.11 0.00 0.00 177.39 176.12 1ab3 n LEU 66 N -2.17 0.63 -2.20 -1.96 0.00 -1.26 -3.85 117.00 106.19 1ab3 n LEU 66 Ca -0.05 0.03 -0.22 0.00 0.00 0.00 0.00 56.01 55.77 1ab3 n LEU 66 Cb 0.41 -0.11 0.20 0.00 0.00 0.00 0.00 43.42 43.91 1ab3 n LEU 66 CO 0.07 0.02 1.25 -1.14 0.00 0.00 0.00 177.39 177.60 1ab3 n ARG 67 N -1.99 2.45 0.00 1.96 0.63 -1.26 -3.08 116.66 115.37 1ab3 n ARG 67 Ca 0.02 -3.02 0.00 0.00 -0.92 0.00 0.00 57.85 53.93 1ab3 n ARG 67 Cb 0.44 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.16 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ab3 n TYR 68 N -1.02 0.00 -0.01 -0.14 4.01 -1.26 -4.89 117.16 113.85 1ab3 n TYR 68 Ca 0.57 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 58.10 1ab3 n TYR 68 Cb 1.64 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 40.54 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ab3 h LEU 69 N 0.00 0.32 -1.79 7.72 6.46 -1.84 -3.31 115.31 122.87 1ab3 h LEU 69 Ca 0.00 -0.82 0.25 0.00 -0.12 0.00 0.00 57.88 57.19 1ab3 h LEU 69 Cb 0.00 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1ab3 h LEU 69 CO 0.00 1.66 0.64 -0.61 -0.62 0.00 0.00 178.44 179.51 1ab3 h GLN 70 N -0.33 0.16 -0.29 1.25 -0.00 -1.68 0.30 115.11 114.52 1ab3 h GLN 70 Ca -0.35 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.14 1ab3 h GLN 70 Cb 1.75 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 29.19 1ab3 h GLN 70 CO 0.02 0.10 -0.44 0.00 0.00 0.00 0.00 178.83 178.51 1ab3 h ARG 71 N 0.16 0.75 -0.66 1.69 2.47 -1.65 -2.72 114.38 114.41 1ab3 h ARG 71 Ca 0.46 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ab3 h ARG 71 Cb 1.54 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 1ab3 h ARG 71 CO -0.09 1.03 0.00 0.39 0.56 0.00 0.00 179.97 181.87 1ab3 n GLU 72 N -4.02 2.33 0.00 0.04 1.02 0.98 -4.79 120.64 116.20 1ab3 n GLU 72 Ca -0.02 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 1ab3 n GLU 72 Cb 0.56 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.30 0.00 0.18 1.62 8.00 -0.80 -4.95 116.55 120.91 1ab3 n ASP 73 Ca 0.11 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.68 1ab3 n ASP 73 Cb 0.52 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.84 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ab3 h PRO 74 N 0.00 0.00 0.15 -0.24 0.13 -1.83 -3.05 132.00 127.16 1ab3 h PRO 74 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1ab3 h PRO 74 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1ab3 h PRO 74 CO 0.00 0.33 -1.36 1.49 -0.23 0.00 0.00 178.00 178.23 1ab3 h GLU 75 N 0.00 0.31 0.00 0.86 4.81 -1.94 -3.03 114.58 115.60 1ab3 h GLU 75 Ca -0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1ab3 h GLU 75 Cb 1.08 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ab3 h GLU 75 CO 0.04 1.24 0.00 0.00 -0.73 0.00 0.00 179.01 179.56 1ab3 h ARG 76 N 0.09 0.00 -1.49 1.92 2.47 -1.86 -2.13 114.38 113.38 1ab3 h ARG 76 Ca -0.18 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.35 1ab3 h ARG 76 Cb 2.02 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 30.25 1ab3 h ARG 76 CO 0.21 0.00 0.24 0.98 0.56 0.00 0.00 179.97 181.96 1ab3 n TYR 77 N -2.77 0.95 -2.02 3.04 9.36 -1.14 -3.63 117.16 120.95 1ab3 n TYR 77 Ca -0.01 -1.39 -0.04 0.00 3.32 0.00 0.00 57.90 59.77 1ab3 n TYR 77 Cb 0.12 -0.69 -0.04 0.00 -0.63 0.00 0.00 39.34 38.10 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 0.54 0.00 0.01 2.98 1.85 -0.80 -4.91 116.66 116.33 1ab3 n ARG 78 Ca 0.19 -0.73 0.00 0.00 -1.00 0.00 0.00 57.85 56.30 1ab3 n ARG 78 Cb 0.64 0.30 0.00 0.00 -1.05 0.00 0.00 32.46 32.35 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 3.00 0.59 2.89 0.00 -1.24 -4.67 120.51 121.10 1ab3 n ALA 79 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1ab3 n ALA 79 Cb 0.66 0.01 0.31 0.00 0.00 0.00 0.00 19.45 20.43 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ab3 n LEU 80 N -2.56 0.00 0.12 0.00 -0.00 -1.26 -1.43 117.00 111.87 1ab3 n LEU 80 Ca 0.00 0.26 -0.20 0.00 -0.00 0.00 0.00 56.01 56.07 1ab3 n LEU 80 Cb 0.00 -0.26 -0.15 0.00 -0.00 0.00 0.00 43.42 43.01 1ab3 n LEU 80 CO 0.00 -0.15 -0.18 0.16 -0.00 0.00 0.00 177.39 177.22 1ab3 h ILE 81 N 0.00 1.35 0.00 1.47 -0.00 -1.85 -1.52 117.51 116.96 1ab3 h ILE 81 Ca 0.00 -2.87 -0.08 0.00 -0.00 0.00 0.00 64.86 61.91 1ab3 h ILE 81 Cb 0.10 2.96 -0.01 0.00 -0.00 0.00 0.00 36.82 39.87 1ab3 h ILE 81 CO 0.00 0.85 -0.77 -0.08 -0.00 0.00 0.00 178.15 178.15 1ab3 h GLU 82 N 0.11 0.00 0.16 0.16 4.81 -1.52 0.17 114.58 118.46 1ab3 h GLU 82 Ca -0.20 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.78 1ab3 h GLU 82 Cb 2.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.46 1ab3 h GLU 82 CO 0.23 0.24 -1.12 0.87 -0.73 0.00 0.00 179.01 178.49 1ab3 h LYS 83 N 0.00 0.33 0.02 1.92 1.57 -1.29 -3.39 116.57 115.72 1ab3 h LYS 83 Ca -0.05 -0.57 -0.27 0.00 -1.87 0.00 0.00 60.65 57.90 1ab3 h LYS 83 Cb 1.28 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.77 1ab3 h LYS 83 CO 0.03 1.27 -1.48 1.28 -0.57 0.00 0.00 179.45 179.98 1ab3 n LEU 84 N -3.98 1.98 0.00 2.94 4.77 -0.57 -5.06 117.00 117.08 1ab3 n LEU 84 Ca -0.18 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ab3 n LEU 84 Cb 0.90 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1ab3 n LEU 84 CO 0.49 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1ab3 n GLY 85 N 1.50 1.01 0.14 -0.72 0.00 -0.10 -5.05 105.19 101.96 1ab3 n GLY 85 Ca -0.34 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 1ab3 n GLY 85 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ab3 h ILE 86 N 0.00 0.80 -0.03 -0.61 -0.00 -1.44 -3.30 117.51 112.92 1ab3 h ILE 86 Ca 0.00 -2.42 0.01 0.00 -0.00 0.00 0.00 64.86 62.45 1ab3 h ILE 86 Cb 0.00 2.63 -0.00 0.00 -0.00 0.00 0.00 36.82 39.45 1ab3 h ILE 86 CO 0.00 0.86 0.21 0.03 -0.00 0.00 0.00 178.15 179.25 1ab3 h ARG 87 N 0.04 0.00 0.00 2.19 2.47 -1.88 -3.45 114.38 113.74 1ab3 h ARG 87 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1ab3 h ARG 87 Cb 2.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.35 1ab3 h ARG 87 CO 0.12 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.06