#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns s ILE 3 N 0.00 3.41 0.95 4.25 1.09 -1.26 -5.10 121.20 124.55 1pns s ILE 3 Ca 0.00 -1.22 -0.10 0.00 -1.10 0.00 0.00 60.65 58.23 1pns s ILE 3 Cb 0.00 -2.93 0.16 0.00 -1.06 0.00 0.00 42.46 38.63 1pns s ILE 3 CO 0.00 -0.12 1.11 0.35 -0.10 0.00 0.00 174.94 176.17 1pns n THR 4 N 4.73 0.00 -0.26 2.92 -2.24 -1.26 -4.70 114.28 113.46 1pns n THR 4 Ca -0.13 -0.06 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1pns n THR 4 Cb 0.44 -0.99 0.25 0.00 -2.10 0.00 0.00 70.33 67.93 1pns n THR 4 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pns h LYS 5 N -1.99 0.99 0.56 -0.78 1.57 -1.98 0.16 116.57 115.10 1pns h LYS 5 Ca -0.45 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1pns h LYS 5 Cb 1.28 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1pns h LYS 5 CO 0.42 0.65 -0.29 0.93 -0.57 0.00 0.00 179.45 180.59 1pns h GLU 6 N 1.02 -0.76 -0.99 3.15 4.39 -1.99 0.33 114.58 119.73 1pns h GLU 6 Ca 0.33 0.05 0.36 0.00 0.34 0.00 0.00 59.36 60.44 1pns h GLU 6 Cb 0.05 0.17 -0.17 0.00 -0.10 0.00 0.00 28.75 28.70 1pns h GLU 6 CO -0.10 -0.50 0.51 0.93 -1.16 0.00 0.00 179.01 178.68 1pns h GLU 7 N -0.79 0.14 0.04 2.33 4.39 -1.74 0.51 114.58 119.47 1pns h GLU 7 Ca -0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1pns h GLU 7 Cb 0.61 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1pns h GLU 7 CO 0.11 0.10 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.82 1pns h LYS 8 N 0.15 -0.05 -1.03 2.33 3.64 -0.13 -3.24 116.57 118.24 1pns h LYS 8 Ca 0.77 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 60.42 1pns h LYS 8 Cb 1.89 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.64 1pns h LYS 8 CO -0.70 -0.03 0.68 1.96 -2.27 0.00 0.00 179.45 179.08 1pns h GLN 9 N -0.09 0.32 -0.72 1.90 4.20 0.01 0.40 115.11 121.14 1pns h GLN 9 Ca -0.00 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.81 1pns h GLN 9 Cb 0.04 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.66 1pns h GLN 9 CO 0.01 0.21 0.29 -0.22 -0.67 0.00 0.00 178.83 178.45 1pns h LYS 10 N 0.33 0.44 -0.16 1.46 1.63 -1.00 0.33 116.57 119.61 1pns h LYS 10 Ca 0.56 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 60.15 1pns h LYS 10 Cb 1.55 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 33.09 1pns h LYS 10 CO -0.23 0.29 -0.65 0.28 -3.45 0.00 0.00 179.45 175.69 1pns h VAL 11 N 0.46 1.30 -0.38 2.00 2.07 -0.27 -1.45 116.25 119.97 1pns h VAL 11 Ca 0.38 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 66.05 1pns h VAL 11 Cb 0.54 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1pns h VAL 11 CO -0.37 0.59 0.21 0.40 0.02 0.00 0.00 177.57 178.42 1pns h ILE 12 N 0.43 1.01 -0.09 4.57 2.04 -0.17 -1.70 117.51 123.60 1pns h ILE 12 Ca -0.04 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 1pns h ILE 12 Cb 1.28 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1pns h ILE 12 CO 0.14 0.08 -0.57 1.56 0.00 0.00 0.00 178.15 179.36 1pns h GLN 13 N 0.42 0.29 0.00 2.37 4.20 -0.43 -0.04 115.11 121.93 1pns h GLN 13 Ca 0.16 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pns h GLN 13 Cb 0.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1pns h GLN 13 CO -0.09 0.78 0.00 -1.91 -0.67 0.00 0.00 178.83 176.93 1pns n GLU 14 N -3.91 0.02 0.00 1.46 4.07 -0.55 -3.67 120.64 118.06 1pns n GLU 14 Ca -0.02 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1pns n GLU 14 Cb 0.60 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 1pns n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1pns n PHE 15 N -1.58 0.00 -0.90 4.31 3.01 -0.69 -5.05 117.46 116.55 1pns n PHE 15 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 1pns n PHE 15 Cb 0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1pns n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pns n ALA 16 N -1.85 -2.30 0.16 4.37 0.00 -0.05 -4.65 120.51 116.19 1pns n ALA 16 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.71 1pns n ALA 16 Cb 0.43 -1.03 0.16 0.00 0.00 0.00 0.00 19.45 19.01 1pns n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pns h ARG 17 N 0.52 0.00 -2.42 0.00 2.47 -1.90 -3.47 114.38 109.57 1pns h ARG 17 Ca -0.20 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1pns h ARG 17 Cb 0.95 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.12 1pns h ARG 17 CO 0.36 0.43 0.42 -0.59 0.56 0.00 0.00 179.97 181.15 1pns s PHE 18 N -3.22 -0.40 -0.56 3.04 -0.12 -1.26 -5.05 117.98 110.41 1pns s PHE 18 Ca 0.02 0.28 -0.40 0.00 -0.05 0.00 0.00 56.93 56.78 1pns s PHE 18 Cb 0.09 0.54 -0.18 0.00 -0.63 0.00 0.00 43.02 42.83 1pns s PHE 18 CO 0.72 -0.61 2.24 -2.30 -0.05 0.00 0.00 175.22 175.21 1pns n PRO 19 N -0.20 0.16 0.00 1.99 -0.02 -1.26 0.16 135.00 135.82 1pns n PRO 19 Ca -0.11 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1pns n PRO 19 Cb 0.62 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1pns n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pns n GLY 20 N 7.19 0.72 3.61 -1.23 0.00 -1.26 -5.05 105.19 109.17 1pns n GLY 20 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 1pns n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pns s ASP 21 N -2.50 6.37 -0.04 1.61 3.68 0.12 -4.84 116.67 121.07 1pns s ASP 21 Ca 0.00 1.04 0.11 0.00 2.13 0.00 0.00 52.55 55.83 1pns s ASP 21 Cb 0.00 -2.54 -0.16 0.00 -1.45 0.00 0.00 42.92 38.77 1pns s ASP 21 CO 0.00 -1.36 0.19 0.35 0.13 0.00 0.00 175.17 174.48 1pns n THR 22 N 6.85 0.17 -1.99 1.71 -2.24 -1.26 -4.55 114.28 112.96 1pns n THR 22 Ca 0.17 -0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 1pns n THR 22 Cb 0.47 0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1pns n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pns n GLY 23 N 2.00 4.22 3.80 3.38 0.00 -1.26 -4.70 105.19 112.63 1pns n GLY 23 Ca -0.06 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1pns n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pns s SER 24 N -3.10 6.25 0.24 1.61 0.01 -1.26 -4.81 113.70 112.63 1pns s SER 24 Ca 0.39 1.87 -0.06 0.00 1.31 0.00 0.00 55.95 59.46 1pns s SER 24 Cb 0.38 -2.55 0.42 0.00 0.21 0.00 0.00 66.02 64.48 1pns s SER 24 CO -0.07 -0.85 1.71 0.74 0.41 0.00 0.00 173.24 175.19 1pns h THR 25 N 1.26 0.62 -0.29 1.44 2.02 -1.98 -0.22 112.91 115.75 1pns h THR 25 Ca -0.49 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 66.64 1pns h THR 25 Cb 1.22 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 1pns h THR 25 CO 0.59 0.06 -0.26 -0.33 0.37 0.00 0.00 175.52 175.95 1pns h GLU 26 N 0.36 -0.24 0.44 6.66 3.07 -1.92 0.41 114.58 123.35 1pns h GLU 26 Ca 0.39 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.25 1pns h GLU 26 Cb 0.61 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1pns h GLU 26 CO -0.43 -0.16 -0.36 0.28 -1.40 0.00 0.00 179.01 176.94 1pns h VAL 27 N -0.25 0.00 -0.73 3.13 2.07 -1.36 -0.30 116.25 118.81 1pns h VAL 27 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1pns h VAL 27 Cb 0.49 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 1pns h VAL 27 CO -0.44 0.00 -0.52 1.56 0.02 0.00 0.00 177.57 178.19 1pns h GLN 28 N -0.77 -0.16 -0.88 1.57 4.20 -0.99 0.69 115.11 118.76 1pns h GLN 28 Ca -0.06 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.84 1pns h GLN 28 Cb 0.65 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 1pns h GLN 28 CO 0.00 -0.11 0.44 0.28 -0.67 0.00 0.00 178.83 178.78 1pns h VAL 29 N -0.17 0.63 0.45 -0.54 2.07 -0.76 0.09 116.25 118.03 1pns h VAL 29 Ca 0.16 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1pns h VAL 29 Cb 0.52 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1pns h VAL 29 CO -0.79 0.10 -0.24 0.00 0.02 0.00 0.00 177.57 176.66 1pns h ALA 30 N 1.63 -0.65 -0.93 1.67 0.00 0.21 0.27 119.26 121.46 1pns h ALA 30 Ca 0.51 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1pns h ALA 30 Cb 0.85 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1pns h ALA 30 CO -0.43 -0.87 0.60 -0.07 0.00 0.00 0.00 179.25 178.48 1pns h LEU 31 N -0.65 0.85 -0.53 0.00 4.07 0.17 -0.22 115.31 118.99 1pns h LEU 31 Ca -0.06 0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.78 1pns h LEU 31 Cb 0.52 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1pns h LEU 31 CO 0.08 0.49 -0.44 -0.07 -1.08 0.00 0.00 178.44 177.42 1pns h LEU 32 N 0.93 0.75 -1.15 1.67 3.38 -0.76 -0.70 115.31 119.45 1pns h LEU 32 Ca 0.43 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1pns h LEU 32 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1pns h LEU 32 CO -0.20 1.09 -0.00 0.74 0.09 0.00 0.00 178.44 180.16 1pns h THR 33 N 0.57 1.21 0.11 0.22 2.02 0.23 0.93 112.91 118.21 1pns h THR 33 Ca 0.04 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1pns h THR 33 Cb 0.98 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1pns h THR 33 CO 0.09 0.29 -0.05 0.25 0.37 0.00 0.00 175.52 176.47 1pns h LEU 34 N 0.56 -0.13 -0.58 2.58 6.46 -0.67 -1.94 115.31 121.60 1pns h LEU 34 Ca 0.12 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1pns h LEU 34 Cb 0.36 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1pns h LEU 34 CO 0.01 0.25 0.37 0.03 -0.62 0.00 0.00 178.44 178.48 1pns h ARG 35 N -0.52 0.72 0.29 1.25 3.08 -0.87 -2.43 114.38 115.90 1pns h ARG 35 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pns h ARG 35 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1pns h ARG 35 CO 0.03 0.48 -0.44 0.82 -1.07 0.00 0.00 179.97 179.79 1pns h ILE 36 N 0.74 0.13 -0.50 2.04 2.04 -0.80 -0.63 117.51 120.54 1pns h ILE 36 Ca 0.22 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1pns h ILE 36 Cb -0.04 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.08 1pns h ILE 36 CO -0.07 0.00 -0.06 0.78 0.00 0.00 0.00 178.15 178.79 1pns h ASN 37 N -0.79 -0.34 -0.29 1.72 -0.26 -1.19 1.31 115.58 115.74 1pns h ASN 37 Ca -0.02 0.14 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1pns h ASN 37 Cb 0.74 0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 38.21 1pns h ASN 37 CO -0.15 -0.12 -0.03 0.03 -1.06 0.00 0.00 177.43 176.10 1pns h ARG 38 N 0.05 0.05 0.02 0.81 2.47 -1.12 0.13 114.38 116.79 1pns h ARG 38 Ca 0.25 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1pns h ARG 38 Cb 0.38 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1pns h ARG 38 CO -0.47 0.03 -0.01 1.25 0.56 0.00 0.00 179.97 181.33 1pns h LEU 39 N 0.05 -0.02 -1.52 3.04 6.46 0.60 0.34 115.31 124.26 1pns h LEU 39 Ca 0.14 -0.14 0.20 0.00 -0.12 0.00 0.00 57.88 57.96 1pns h LEU 39 Cb 0.20 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1pns h LEU 39 CO -0.26 0.13 0.60 0.28 -0.62 0.00 0.00 178.44 178.57 1pns h SER 40 N -0.17 0.40 0.16 1.25 0.02 0.20 0.15 113.55 115.55 1pns h SER 40 Ca -0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1pns h SER 40 Cb 0.16 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1pns h SER 40 CO 0.00 0.16 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.70 1pns h GLU 41 N 0.40 -0.20 -0.89 3.45 4.57 0.29 -2.21 114.58 119.98 1pns h GLU 41 Ca 0.47 0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.95 1pns h GLU 41 Cb 1.18 0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.65 1pns h GLU 41 CO -0.17 -0.13 0.16 1.58 -1.18 0.00 0.00 179.01 179.26 1pns n HIS 42 N -2.84 0.72 0.55 0.92 -0.00 0.11 0.14 115.22 114.82 1pns n HIS 42 Ca -0.03 1.07 0.12 0.00 0.46 0.00 0.00 57.72 59.34 1pns n HIS 42 Cb 0.08 -1.26 0.45 0.00 -0.12 0.00 0.00 29.99 29.14 1pns n HIS 42 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1pns n LEU 43 N -5.22 0.51 0.22 0.27 4.77 0.45 -2.55 117.00 115.45 1pns n LEU 43 Ca 0.25 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.90 1pns n LEU 43 Cb 0.83 -0.48 0.51 0.00 -2.33 0.00 0.00 43.42 41.94 1pns n LEU 43 CO -0.04 -0.33 0.82 0.11 -1.33 0.00 0.00 177.39 176.61 1pns h LYS 44 N 0.00 0.00 -6.07 3.23 1.57 0.18 -3.35 116.57 112.13 1pns h LYS 44 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1pns h LYS 44 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1pns h LYS 44 CO 0.00 0.25 -0.39 0.08 -0.57 0.00 0.00 179.45 178.82 1pns s VAL 45 N -3.99 2.41 -1.31 0.50 1.01 -1.06 -4.66 120.40 113.30 1pns s VAL 45 Ca -0.02 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 1pns s VAL 45 Cb 0.13 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1pns s VAL 45 CO 0.65 0.00 0.82 1.41 0.00 0.00 0.00 175.10 177.98 1pns n HIS 46 N -1.51 -2.06 0.53 5.22 8.25 -1.26 -4.82 115.22 119.57 1pns n HIS 46 Ca 0.02 0.88 0.06 0.00 -0.26 0.00 0.00 57.72 58.42 1pns n HIS 46 Cb 0.63 -4.54 0.29 0.00 1.12 0.00 0.00 29.99 27.49 1pns n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1pns n LYS 47 N -4.32 0.12 0.02 -0.41 5.02 -1.26 -2.13 118.16 115.20 1pns n LYS 47 Ca -0.25 0.21 0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1pns n LYS 47 Cb 0.66 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 1pns n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pns n LYS 48 N -1.36 0.63 -1.09 1.97 5.02 -1.26 -4.64 118.16 117.43 1pns n LYS 48 Ca 0.05 0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 56.08 1pns n LYS 48 Cb 0.11 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.30 1pns n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pns n ASP 49 N -2.79 2.04 -0.09 4.39 2.03 -0.90 -4.59 116.55 116.64 1pns n ASP 49 Ca -0.11 -2.61 -0.06 0.00 0.52 0.00 0.00 54.79 52.52 1pns n ASP 49 Cb 0.83 -1.04 0.12 0.00 -0.72 0.00 0.00 41.12 40.31 1pns n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1pns h HIS 50 N 9.01 0.85 -0.83 -0.67 3.86 -1.85 -2.96 115.15 122.56 1pns h HIS 50 Ca 0.32 -0.16 0.14 0.00 -1.16 0.00 0.00 60.37 59.51 1pns h HIS 50 Cb 0.73 -0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.89 1pns h HIS 50 CO 1.15 0.85 0.41 0.45 0.86 0.00 0.00 177.93 181.65 1pns h HIS 51 N 0.69 0.71 -0.16 2.45 3.86 -2.00 0.98 115.15 121.69 1pns h HIS 51 Ca 0.11 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.22 1pns h HIS 51 Cb 0.61 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1pns h HIS 51 CO 0.03 0.16 -0.49 0.77 0.86 0.00 0.00 177.93 179.26 1pns h SER 52 N 0.59 0.47 -0.68 2.45 0.02 -1.91 -3.11 113.55 111.37 1pns h SER 52 Ca 0.45 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1pns h SER 52 Cb 0.64 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1pns h SER 52 CO -0.37 0.89 0.45 -0.74 -1.14 0.00 0.00 176.83 175.92 1pns h HIS 53 N 0.34 0.65 -0.70 3.45 6.17 -0.67 0.19 115.15 124.58 1pns h HIS 53 Ca 0.02 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.07 1pns h HIS 53 Cb 0.99 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.68 1pns h HIS 53 CO 0.03 0.33 0.29 -0.09 0.71 0.00 0.00 177.93 179.19 1pns h ARG 54 N 0.63 1.04 -0.91 5.26 2.43 -1.36 -0.16 114.38 121.31 1pns h ARG 54 Ca 0.30 -0.19 0.13 0.00 -0.81 0.00 0.00 59.98 59.42 1pns h ARG 54 Cb 0.37 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1pns h ARG 54 CO -0.10 0.86 0.58 0.78 -1.51 0.00 0.00 179.97 180.58 1pns h GLY 55 N 0.99 1.30 0.63 2.80 0.00 -0.71 -1.19 103.07 106.88 1pns h GLY 55 Ca 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1pns h GLY 55 CO -0.02 0.13 -0.03 -2.00 0.00 0.00 0.00 176.54 174.61 1pns h LEU 56 N 0.79 0.12 -1.40 3.11 5.85 -0.60 -1.78 115.31 121.40 1pns h LEU 56 Ca 0.45 -0.44 0.28 0.00 0.84 0.00 0.00 57.88 59.00 1pns h LEU 56 Cb 0.60 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 1pns h LEU 56 CO -0.21 0.53 0.68 -0.07 -0.34 0.00 0.00 178.44 179.04 1pns h LEU 57 N -0.29 0.41 -0.00 2.25 4.07 0.04 0.13 115.31 121.93 1pns h LEU 57 Ca 0.01 0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 1pns h LEU 57 Cb 0.49 0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.26 1pns h LEU 57 CO 0.01 0.07 -0.43 0.24 -1.08 0.00 0.00 178.44 177.25 1pns h MET 58 N 0.36 0.29 0.36 1.13 2.86 -1.10 -1.43 114.93 117.40 1pns h MET 58 Ca 0.60 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1pns h MET 58 Cb 1.59 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.32 1pns h MET 58 CO -0.29 1.01 -0.32 0.52 1.06 0.00 0.00 176.91 178.89 1pns h MET 59 N -0.30 -0.67 -0.96 1.72 2.86 -0.10 0.40 114.93 117.88 1pns h MET 59 Ca -0.05 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.79 1pns h MET 59 Cb 1.16 0.15 -0.09 0.00 0.06 0.00 0.00 31.60 32.88 1pns h MET 59 CO 0.08 -0.45 0.61 0.28 1.06 0.00 0.00 176.91 178.50 1pns h VAL 60 N -0.69 0.79 0.75 -2.22 2.07 -0.94 -0.06 116.25 115.95 1pns h VAL 60 Ca -0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1pns h VAL 60 Cb 0.62 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1pns h VAL 60 CO -0.03 0.14 -0.36 1.23 0.02 0.00 0.00 177.57 178.57 1pns h GLY 61 N 0.76 -1.05 1.13 2.17 0.00 0.14 -1.11 103.07 105.12 1pns h GLY 61 Ca 0.51 0.39 0.10 0.00 0.00 0.00 0.00 47.33 48.33 1pns h GLY 61 CO -0.28 -0.38 0.34 -1.61 0.00 0.00 0.00 176.54 174.61 1pns h GLN 62 N -1.06 0.00 0.11 4.80 5.75 0.28 -1.66 115.11 123.34 1pns h GLN 62 Ca -0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1pns h GLN 62 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1pns h GLN 62 CO 0.17 0.00 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.20 1pns h ARG 63 N 0.00 -0.14 0.00 1.69 2.43 -0.82 -2.52 114.38 115.01 1pns h ARG 63 Ca 0.17 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pns h ARG 63 Cb 0.84 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1pns h ARG 63 CO -0.00 0.12 0.18 0.07 -1.51 0.00 0.00 179.97 178.82 1pns h ARG 64 N -1.00 0.00 0.00 0.20 0.11 -0.75 0.19 114.38 113.13 1pns h ARG 64 Ca -0.02 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.80 1pns h ARG 64 Cb 0.33 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 1pns h ARG 64 CO 0.02 0.00 -1.48 -0.09 0.10 0.00 0.00 179.97 178.53 1pns h ARG 65 N 0.00 0.00 -0.01 0.08 2.43 -1.31 -2.64 114.38 112.93 1pns h ARG 65 Ca 0.00 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 1pns h ARG 65 Cb 0.35 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1pns h ARG 65 CO 0.00 0.66 -0.88 -0.07 -1.51 0.00 0.00 179.97 178.17 1pns h LEU 66 N 0.00 0.79 -0.66 3.80 3.38 -0.22 -3.03 115.31 119.36 1pns h LEU 66 Ca -0.20 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1pns h LEU 66 Cb 1.93 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1pns h LEU 66 CO 0.10 1.42 0.43 -0.07 0.09 0.00 0.00 178.44 180.41 1pns h LEU 67 N 0.24 0.77 -1.23 1.67 3.38 -1.29 -0.64 115.31 118.20 1pns h LEU 67 Ca -0.11 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.99 1pns h LEU 67 Cb 1.55 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1pns h LEU 67 CO 0.17 0.57 0.59 -0.09 0.09 0.00 0.00 178.44 179.78 1pns h ARG 68 N 0.90 0.69 -0.05 1.13 2.43 -1.46 0.17 114.38 118.19 1pns h ARG 68 Ca 0.24 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1pns h ARG 68 Cb -0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1pns h ARG 68 CO -0.05 0.46 -0.42 -0.92 -1.51 0.00 0.00 179.97 177.52 1pns h TYR 69 N 0.71 0.13 0.28 2.20 3.20 -1.02 -3.13 116.97 119.34 1pns h TYR 69 Ca 0.48 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.30 1pns h TYR 69 Cb 0.78 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1pns h TYR 69 CO -0.00 0.52 -0.14 1.25 -1.64 0.00 0.00 178.16 178.15 1pns h LEU 70 N 0.09 -0.32 -0.01 2.82 7.12 0.17 -2.51 115.31 122.67 1pns h LEU 70 Ca 0.01 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1pns h LEU 70 Cb 0.79 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1pns h LEU 70 CO 0.06 0.04 -0.03 1.56 -0.13 0.00 0.00 178.44 179.94 1pns h GLN 71 N -0.72 -0.03 -0.60 1.25 4.20 -1.50 0.83 115.11 118.54 1pns h GLN 71 Ca -0.04 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.79 1pns h GLN 71 Cb 0.49 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.16 1pns h GLN 71 CO 0.06 -0.02 -0.17 -2.13 -0.67 0.00 0.00 178.83 175.91 1pns n ARG 72 N -2.75 -0.07 0.00 1.46 0.63 -1.18 -2.52 116.66 112.23 1pns n ARG 72 Ca -0.00 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1pns n ARG 72 Cb 0.02 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1pns n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1pns n GLU 73 N -4.97 0.00 -3.40 -0.14 -0.58 -0.54 -4.77 120.64 106.24 1pns n GLU 73 Ca 0.09 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.39 1pns n GLU 73 Cb 0.29 -0.15 -0.05 0.00 -0.57 0.00 0.00 31.44 30.96 1pns n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1pns s ASP 74 N -1.03 6.14 0.24 1.62 -1.08 0.17 -4.92 116.67 117.82 1pns s ASP 74 Ca 0.00 -2.11 0.16 0.00 -0.52 0.00 0.00 52.55 50.09 1pns s ASP 74 Cb 0.00 -2.14 0.87 0.00 -1.46 0.00 0.00 42.92 40.20 1pns s ASP 74 CO 0.00 -0.72 1.50 -0.81 0.52 0.00 0.00 175.17 175.66 1pns n PRO 75 N 4.74 0.11 -0.06 4.34 -0.04 -1.05 -2.69 135.00 140.34 1pns n PRO 75 Ca -0.04 0.59 -0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1pns n PRO 75 Cb 0.42 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1pns n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1pns h GLU 76 N 0.00 0.00 -0.89 0.54 4.57 -1.89 -3.19 114.58 113.72 1pns h GLU 76 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 1pns h GLU 76 Cb 0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 1pns h GLU 76 CO 0.00 0.27 0.61 0.00 -1.18 0.00 0.00 179.01 178.71 1pns h ARG 77 N -1.00 0.24 0.14 1.92 3.08 -1.90 -0.16 114.38 116.70 1pns h ARG 77 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1pns h ARG 77 Cb 0.41 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1pns h ARG 77 CO -0.02 0.16 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.03 1pns h TYR 78 N 0.25 -0.24 -0.86 3.04 3.20 -1.63 0.67 116.97 121.40 1pns h TYR 78 Ca 0.45 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.55 1pns h TYR 78 Cb 1.36 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.68 1pns h TYR 78 CO -0.00 -0.14 0.60 0.00 -1.64 0.00 0.00 178.16 176.99 1pns h ARG 79 N -0.22 0.12 0.04 1.82 3.08 -1.37 0.60 114.38 118.45 1pns h ARG 79 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pns h ARG 79 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1pns h ARG 79 CO 0.02 0.08 -0.02 0.00 -1.07 0.00 0.00 179.97 178.98 1pns h ALA 80 N 1.59 -0.06 0.10 0.04 0.00 -0.51 -2.65 119.26 117.78 1pns h ALA 80 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1pns h ALA 80 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1pns h ALA 80 CO -0.06 -0.36 -0.05 1.25 0.00 0.00 0.00 179.25 180.02 1pns h LEU 81 N -0.39 -0.12 0.00 0.00 6.46 0.25 -2.45 115.31 119.07 1pns h LEU 81 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1pns h LEU 81 Cb 0.36 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1pns h LEU 81 CO 0.01 -0.08 0.00 -0.38 -0.62 0.00 0.00 178.44 177.37 1pns n ILE 82 N -5.15 0.00 -0.29 4.05 5.41 -0.46 -0.36 119.36 122.56 1pns n ILE 82 Ca -0.08 1.39 0.03 0.00 1.00 0.00 0.00 62.75 65.09 1pns n ILE 82 Cb 0.08 -2.17 0.08 0.00 -0.71 0.00 0.00 39.64 36.93 1pns n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1pns n GLU 83 N -2.07 -0.11 0.00 0.38 0.00 -1.00 0.22 120.64 118.06 1pns n GLU 83 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 57.16 58.39 1pns n GLU 83 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 29.61 1pns n GLU 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1pns n LYS 84 N -5.24 0.00 -0.40 5.31 4.81 -0.92 -2.91 118.16 118.80 1pns n LYS 84 Ca 0.11 0.15 0.33 0.00 -0.87 0.00 0.00 58.31 58.03 1pns n LYS 84 Cb 0.37 -1.14 0.63 0.00 0.02 0.00 0.00 35.03 34.91 1pns n LYS 84 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1pns h LEU 85 N 0.00 0.25 -0.50 3.14 3.38 0.09 -3.45 115.31 118.21 1pns h LEU 85 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pns h LEU 85 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pns h LEU 85 CO 0.00 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1pns n GLY 86 N -1.59 0.93 3.88 0.83 0.00 0.60 -5.07 105.19 104.77 1pns n GLY 86 Ca 0.31 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1pns n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pns s ILE 87 N -2.50 4.79 0.00 -0.61 1.01 -1.11 -4.87 121.20 117.91 1pns s ILE 87 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1pns s ILE 87 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1pns s ILE 87 CO 0.00 -0.56 0.00 0.54 0.00 0.00 0.00 174.94 174.92 1pns n ARG 88 N -1.41 0.00 0.00 2.79 5.12 -1.26 -4.78 116.66 117.12 1pns n ARG 88 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1pns n ARG 88 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1pns n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11