#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 0.18 0.00 3.17 4.76 -1.26 -4.14 118.16 120.87 1n88 n LYS 2 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1n88 n LYS 2 Cb 0.00 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.33 0.00 -1.47 -0.18 -1.04 -1.26 0.55 114.28 118.21 1n88 n THR 3 Ca 0.61 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.51 1n88 n THR 3 Cb 0.14 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.55 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.29 -2.63 2.41 0.00 -1.26 -3.87 120.51 115.45 1n88 n ALA 4 Ca 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 53.44 51.52 1n88 n ALA 4 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 16.66 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N 16.57 -0.22 -3.02 0.00 4.11 -1.13 0.26 117.16 133.74 1n88 n TYR 5 Ca 0.35 0.11 -0.12 0.00 -0.00 0.00 0.00 57.90 58.23 1n88 n TYR 5 Cb 0.46 -0.45 0.06 0.00 -0.00 0.00 0.00 39.34 39.41 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -0.14 -2.84 0.00 9.48 2.03 0.19 -4.80 116.55 120.47 1n88 n ASP 6 Ca -0.04 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1n88 n ASP 6 Cb 0.11 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -3.23 0.00 -1.16 5.18 0.31 0.72 -4.64 118.33 115.51 1n88 n VAL 7 Ca -0.18 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 1n88 n VAL 7 Cb 0.62 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.62 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N 0.00 1.24 0.00 2.52 -0.00 -1.26 -4.47 119.36 117.39 1n88 n ILE 8 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 1n88 n ILE 8 Cb 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1n88 n LEU 9 N -0.03 0.00 -4.64 1.39 4.77 -0.97 -4.12 117.00 113.40 1n88 n LEU 9 Ca 0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 1n88 n LEU 9 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1n88 n LEU 9 CO 0.51 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 176.23 1n88 s ALA 10 N -2.00 3.17 0.77 -1.18 0.00 -1.26 -4.86 121.76 116.40 1n88 s ALA 10 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1n88 s ALA 10 Cb 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.80 1n88 s ALA 10 CO 0.00 0.59 1.08 -1.25 0.00 0.00 0.00 175.76 176.18 1n88 s PRO 11 N -0.90 2.28 -0.08 0.00 0.04 -1.26 -2.23 135.00 132.85 1n88 s PRO 11 Ca 0.13 0.84 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 1n88 s PRO 11 Cb -0.11 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1n88 s PRO 11 CO 0.02 -1.53 0.21 0.14 0.04 0.00 0.00 177.00 175.88 1n88 s VAL 12 N -3.05 5.39 -0.35 -0.36 -7.23 -1.16 -4.89 120.40 108.74 1n88 s VAL 12 Ca 0.60 0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 60.99 1n88 s VAL 12 Cb -0.15 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1n88 s VAL 12 CO 0.55 0.58 0.21 -0.76 -0.31 0.00 0.00 175.10 175.37 1n88 s LEU 13 N -1.13 4.52 -0.25 1.32 2.01 -1.26 -4.78 118.68 119.11 1n88 s LEU 13 Ca 0.18 -0.69 -0.27 0.00 0.01 0.00 0.00 54.13 53.36 1n88 s LEU 13 Cb -0.13 -2.06 0.14 0.00 0.01 0.00 0.00 46.19 44.15 1n88 s LEU 13 CO 0.08 -0.30 1.11 -0.44 1.01 0.00 0.00 176.35 177.81 1n88 s SER 14 N 1.63 -0.33 0.26 2.29 0.01 -1.26 -5.00 113.70 111.30 1n88 s SER 14 Ca 0.04 0.54 -0.08 0.00 1.31 0.00 0.00 55.95 57.76 1n88 s SER 14 Cb -0.18 0.52 0.43 0.00 0.21 0.00 0.00 66.02 67.00 1n88 s SER 14 CO 0.08 -0.18 1.59 -0.33 0.41 0.00 0.00 173.24 174.80 1n88 h GLU 15 N 3.36 0.01 0.00 12.44 5.08 -1.97 2.16 114.58 135.66 1n88 h GLU 15 Ca -0.23 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1n88 h GLU 15 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1n88 h GLU 15 CO 0.19 0.01 0.24 0.87 -1.00 0.00 0.00 179.01 179.32 1n88 h LYS 16 N 0.01 0.00 0.00 2.33 1.57 -1.97 -0.67 116.57 117.83 1n88 h LYS 16 Ca 0.44 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.90 1n88 h LYS 16 Cb 0.72 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1n88 h LYS 16 CO -0.87 0.00 -2.04 0.00 -0.57 0.00 0.00 179.45 175.96 1n88 n ALA 17 N -1.81 1.79 0.10 3.86 0.00 0.69 -4.08 120.51 121.07 1n88 n ALA 17 Ca -0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1n88 n ALA 17 Cb 0.28 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1n88 n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n88 h TYR 18 N -0.66 -0.55 0.00 0.00 0.05 -0.04 1.44 116.97 117.21 1n88 h TYR 18 Ca -0.47 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1n88 h TYR 18 Cb 1.42 0.23 0.00 0.00 1.01 0.00 0.00 36.73 39.39 1n88 h TYR 18 CO -0.06 -0.30 0.00 0.00 -1.05 0.00 0.00 178.16 176.75 1n88 n ALA 19 N -2.52 1.27 -0.09 3.88 0.00 -0.28 -1.89 120.51 120.87 1n88 n ALA 19 Ca -0.06 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1n88 n ALA 19 Cb 0.25 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N -0.87 -0.77 0.51 0.00 0.00 0.89 -3.72 105.19 101.23 1n88 n GLY 20 Ca 0.01 0.05 0.31 0.00 0.00 0.00 0.00 46.02 46.38 1n88 n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n88 h PHE 21 N -0.85 0.00 -1.61 1.61 -1.00 0.25 0.10 116.94 115.44 1n88 h PHE 21 Ca -0.39 0.00 0.47 0.00 2.81 0.00 0.00 57.97 60.86 1n88 h PHE 21 Cb 1.43 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.93 1n88 h PHE 21 CO 0.08 0.00 1.35 0.00 -1.61 0.00 0.00 178.31 178.12 1n88 h ALA 22 N 1.19 3.53 -0.48 2.45 0.00 -1.54 2.24 119.26 126.64 1n88 h ALA 22 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1n88 h ALA 22 Cb 2.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1n88 h ALA 22 CO -0.01 -2.18 0.00 -0.85 0.00 0.00 0.00 179.25 176.22 1n88 n GLU 23 N -3.67 3.72 -0.63 0.00 0.00 0.36 -4.90 120.64 115.51 1n88 n GLU 23 Ca 0.36 -2.86 0.00 0.00 0.00 0.00 0.00 57.16 54.66 1n88 n GLU 23 Cb 1.83 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 31.36 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n88 n GLY 24 N 0.45 0.72 3.75 -1.84 0.00 0.75 -4.84 105.19 104.18 1n88 n GLY 24 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.37 4.49 -0.22 1.61 3.01 -1.21 -3.21 119.74 123.84 1n88 s LYS 25 Ca 0.00 1.05 0.00 0.00 -1.01 0.00 0.00 55.97 56.01 1n88 s LYS 25 Cb 0.00 -3.35 0.06 0.00 -1.01 0.00 0.00 37.83 33.52 1n88 s LYS 25 CO 0.00 0.31 -0.04 0.71 0.51 0.00 0.00 175.35 176.83 1n88 s TYR 26 N -0.14 2.19 0.17 3.18 2.02 0.68 -3.57 117.35 121.88 1n88 s TYR 26 Ca 0.38 -1.60 -0.30 0.00 -0.37 0.00 0.00 57.07 55.18 1n88 s TYR 26 Cb -0.21 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.78 1n88 s TYR 26 CO 0.23 -0.74 1.09 0.99 -1.57 0.00 0.00 175.55 175.54 1n88 s THR 27 N 1.47 3.93 0.24 -0.71 2.01 -1.17 -0.11 115.64 121.29 1n88 s THR 27 Ca -0.05 1.66 0.04 0.00 0.31 0.00 0.00 61.69 63.66 1n88 s THR 27 Cb -0.18 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1n88 s THR 27 CO -0.07 0.28 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.77 1n88 s PHE 28 N -0.23 1.67 -0.24 4.92 0.08 0.73 -2.96 117.98 121.94 1n88 s PHE 28 Ca 0.49 -0.85 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 1n88 s PHE 28 Cb -0.29 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1n88 s PHE 28 CO 0.34 0.05 0.09 -1.58 -0.10 0.00 0.00 175.22 174.03 1n88 s TRP 29 N -3.30 3.15 0.18 0.36 0.23 -0.95 0.62 118.94 119.24 1n88 s TRP 29 Ca 0.28 -0.20 -0.13 0.00 -2.03 0.00 0.00 56.10 54.03 1n88 s TRP 29 Cb 0.05 -2.22 0.01 0.00 0.03 0.00 0.00 33.47 31.33 1n88 s TRP 29 CO 0.09 -0.20 0.39 0.54 0.96 0.00 0.00 176.95 178.74 1n88 s VAL 30 N 1.33 0.05 0.63 4.03 0.11 -0.96 -2.28 120.40 123.31 1n88 s VAL 30 Ca 0.05 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 57.78 1n88 s VAL 30 Cb -0.15 -1.75 -0.02 0.00 -1.53 0.00 0.00 36.38 32.94 1n88 s VAL 30 CO 0.04 -0.21 1.24 1.57 -3.33 0.00 0.00 175.10 174.42 1n88 n HIS 31 N -0.27 1.78 -1.32 1.54 -0.00 -1.26 -3.38 115.22 112.31 1n88 n HIS 31 Ca -0.08 0.42 -0.43 0.00 0.46 0.00 0.00 57.72 58.09 1n88 n HIS 31 Cb 0.63 -2.26 -0.04 0.00 -0.12 0.00 0.00 29.99 28.20 1n88 n HIS 31 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1n88 n PRO 32 N -1.63 1.90 0.00 1.57 -0.04 -1.26 -2.97 135.00 132.58 1n88 n PRO 32 Ca 0.15 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1n88 n PRO 32 Cb 0.47 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 6.73 0.00 -1.51 0.54 -0.00 -1.26 -5.05 118.16 117.61 1n88 n LYS 33 Ca 0.50 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.44 1n88 n LYS 33 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.28 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 0.45 -1.52 0.58 0.00 -1.16 -4.78 120.51 114.09 1n88 n ALA 34 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 1n88 n ALA 34 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.06 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 7.30 1.98 -0.26 0.00 -2.24 -1.26 -4.60 114.28 115.20 1n88 n THR 35 Ca 0.63 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 1n88 n THR 35 Cb 0.10 -0.71 0.21 0.00 -2.10 0.00 0.00 70.33 67.83 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N 1.34 0.35 -0.02 -0.78 1.57 -1.86 0.03 116.57 117.20 1n88 h LYS 36 Ca -0.39 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1n88 h LYS 36 Cb 1.38 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1n88 h LYS 36 CO 0.56 0.23 0.00 1.15 -0.57 0.00 0.00 179.45 180.83 1n88 h THR 37 N 0.36 1.19 -0.86 -0.16 2.02 -1.87 -2.88 112.91 110.72 1n88 h THR 37 Ca 0.45 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1n88 h THR 37 Cb 0.75 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 68.63 1n88 h THR 37 CO -0.48 0.15 0.50 -0.33 0.37 0.00 0.00 175.52 175.74 1n88 h GLU 38 N -0.21 0.82 -0.32 6.66 4.39 -1.61 0.12 114.58 124.44 1n88 h GLU 38 Ca 0.01 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1n88 h GLU 38 Cb 0.24 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1n88 h GLU 38 CO 0.00 0.54 0.22 0.82 -1.16 0.00 0.00 179.01 179.44 1n88 h ILE 39 N 0.85 0.89 -0.37 3.13 2.04 -0.85 -2.09 117.51 121.10 1n88 h ILE 39 Ca 0.41 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.24 1n88 h ILE 39 Cb 0.36 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1n88 h ILE 39 CO -0.24 0.02 0.23 0.50 0.00 0.00 0.00 178.15 178.65 1n88 h LYS 40 N 0.09 0.50 -0.54 2.37 3.64 -0.55 -2.86 116.57 119.22 1n88 h LYS 40 Ca 0.15 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1n88 h LYS 40 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1n88 h LYS 40 CO -0.01 0.37 0.36 -0.91 -2.27 0.00 0.00 179.45 176.98 1n88 h ASN 41 N 0.48 0.54 0.01 4.20 2.35 -1.37 -1.88 115.58 119.92 1n88 h ASN 41 Ca 0.13 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1n88 h ASN 41 Cb -0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1n88 h ASN 41 CO -0.03 0.38 -0.01 0.00 -1.65 0.00 0.00 177.43 176.12 1n88 h ALA 42 N 1.68 -0.02 0.00 -0.83 0.00 -1.54 -3.17 119.26 115.39 1n88 h ALA 42 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 42 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n88 h ALA 42 CO -0.06 -0.26 -0.31 -0.39 0.00 0.00 0.00 179.25 178.23 1n88 h VAL 43 N -0.52 0.96 0.07 0.00 -1.51 -1.49 0.18 116.25 113.94 1n88 h VAL 43 Ca -0.00 -1.19 0.02 0.00 -1.23 0.00 0.00 66.70 64.30 1n88 h VAL 43 Cb 0.51 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.33 1n88 h VAL 43 CO 0.00 0.31 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.14 1n88 h GLU 44 N 0.00 -0.32 0.12 5.19 5.08 -1.32 0.23 114.58 123.56 1n88 h GLU 44 Ca -0.00 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1n88 h GLU 44 Cb 0.67 0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.01 1n88 h GLU 44 CO 0.04 -0.22 -0.78 1.79 -1.00 0.00 0.00 179.01 178.85 1n88 h THR 45 N -0.34 1.50 0.47 1.13 1.35 -1.51 -1.52 112.91 113.99 1n88 h THR 45 Ca 0.03 -2.51 -0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1n88 h THR 45 Cb 0.37 3.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.97 1n88 h THR 45 CO -0.12 0.70 -0.35 0.00 -0.25 0.00 0.00 175.52 175.50 1n88 h ALA 46 N 0.06 -1.11 0.00 6.62 0.00 -0.60 -2.63 119.26 121.61 1n88 h ALA 46 Ca -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1n88 h ALA 46 Cb 1.58 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1n88 h ALA 46 CO 0.13 -1.10 -0.07 0.74 0.00 0.00 0.00 179.25 178.95 1n88 h PHE 47 N -0.79 0.00 -3.64 0.00 0.04 -0.72 -3.47 116.94 108.37 1n88 h PHE 47 Ca -0.06 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 1n88 h PHE 47 Cb 0.65 0.00 0.08 0.00 2.20 0.00 0.00 35.95 38.88 1n88 h PHE 47 CO -0.11 0.07 -0.34 1.63 -0.60 0.00 0.00 178.31 178.96 1n88 n LYS 48 N -3.18 -2.73 -4.05 1.51 5.02 -0.65 -5.01 118.16 109.07 1n88 n LYS 48 Ca 0.01 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.56 1n88 n LYS 48 Cb 0.36 -3.92 -0.06 0.00 -0.02 0.00 0.00 35.03 31.39 1n88 n LYS 48 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 s VAL 49 N -3.16 0.00 -0.43 -0.18 0.11 -0.74 -5.02 120.40 110.98 1n88 s VAL 49 Ca 0.02 -1.53 -0.22 0.00 -2.93 0.00 0.00 61.98 57.31 1n88 s VAL 49 Cb -0.00 -2.36 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1n88 s VAL 49 CO 0.32 0.00 0.72 -0.75 -3.33 0.00 0.00 175.10 172.05 1n88 s LYS 50 N -3.80 3.39 0.22 1.54 2.36 -1.26 -4.42 119.74 117.77 1n88 s LYS 50 Ca 0.27 -0.18 -0.30 0.00 -2.55 0.00 0.00 55.97 53.20 1n88 s LYS 50 Cb 0.01 -3.93 -0.08 0.00 -1.05 0.00 0.00 37.83 32.77 1n88 s LYS 50 CO 0.12 -1.03 1.01 0.08 1.55 0.00 0.00 175.35 177.07 1n88 s VAL 51 N 3.05 3.96 -0.09 4.02 1.01 -1.26 -2.02 120.40 129.06 1n88 s VAL 51 Ca 0.27 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.20 1n88 s VAL 51 Cb -0.13 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 1n88 s VAL 51 CO 0.20 0.40 0.05 0.55 0.00 0.00 0.00 175.10 176.30 1n88 n VAL 52 N 1.76 0.63 -3.54 2.92 3.14 0.59 -4.70 118.33 119.12 1n88 n VAL 52 Ca -0.00 -0.41 -0.17 0.00 -2.96 0.00 0.00 64.34 60.80 1n88 n VAL 52 Cb 0.47 -0.67 -0.06 0.00 -1.06 0.00 0.00 33.84 32.51 1n88 n VAL 52 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1n88 s LYS 53 N -2.27 1.02 -0.11 1.45 0.00 -1.11 -4.96 119.74 113.76 1n88 s LYS 53 Ca -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 55.97 56.16 1n88 s LYS 53 Cb 0.03 0.48 0.03 0.00 0.00 0.00 0.00 37.83 38.37 1n88 s LYS 53 CO 0.41 -0.31 -0.02 0.08 0.00 0.00 0.00 175.35 175.51 1n88 s VAL 54 N -1.14 0.66 -0.24 1.79 1.01 -1.26 0.17 120.40 121.38 1n88 s VAL 54 Ca -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1n88 s VAL 54 Cb -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1n88 s VAL 54 CO 0.09 0.20 -0.09 0.20 0.00 0.00 0.00 175.10 175.51 1n88 s ASN 55 N 1.84 4.18 0.14 3.32 -0.87 0.80 -4.79 114.94 119.56 1n88 s ASN 55 Ca 0.04 -0.96 0.11 0.00 -1.57 0.00 0.00 52.86 50.48 1n88 s ASN 55 Cb -0.13 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.44 1n88 s ASN 55 CO -0.07 -0.13 -0.26 0.28 -2.57 0.00 0.00 177.10 174.36 1n88 s THR 56 N 1.27 2.33 0.21 1.60 -1.32 -1.26 0.30 115.64 118.77 1n88 s THR 56 Ca -0.01 -1.78 -0.01 0.00 -1.21 0.00 0.00 61.69 58.68 1n88 s THR 56 Cb -0.17 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 1n88 s THR 56 CO -0.06 0.06 0.15 -1.48 -2.21 0.00 0.00 174.62 171.08 1n88 s LEU 57 N -2.16 1.13 -0.24 9.08 0.05 0.11 -4.92 118.68 121.72 1n88 s LEU 57 Ca 0.15 -1.38 -0.19 0.00 0.05 0.00 0.00 54.13 52.76 1n88 s LEU 57 Cb -0.10 0.46 -0.02 0.00 -2.05 0.00 0.00 46.19 44.48 1n88 s LEU 57 CO 0.07 -0.86 0.59 -2.28 -0.55 0.00 0.00 176.35 173.31 1n88 s HIS 58 N -4.13 3.30 -0.11 3.48 5.65 -1.26 0.52 115.29 122.74 1n88 s HIS 58 Ca 0.38 0.78 0.03 0.00 0.25 0.00 0.00 55.06 56.50 1n88 s HIS 58 Cb 0.06 -2.78 -0.01 0.00 -1.18 0.00 0.00 32.58 28.68 1n88 s HIS 58 CO 0.12 -0.27 -0.20 0.14 -0.65 0.00 0.00 174.74 173.89 1n88 s VAL 59 N 2.27 2.48 0.47 0.89 -7.23 0.77 -4.89 120.40 115.15 1n88 s VAL 59 Ca 0.25 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.60 1n88 s VAL 59 Cb -0.16 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1n88 s VAL 59 CO 0.09 0.55 0.15 -0.13 -0.31 0.00 0.00 175.10 175.45 1n88 s ARG 60 N 0.27 2.19 -0.08 4.82 1.81 -1.26 -3.32 118.95 123.38 1n88 s ARG 60 Ca -0.14 -2.08 -0.39 0.00 -1.72 0.00 0.00 55.73 51.40 1n88 s ARG 60 Cb -0.17 -1.83 -0.18 0.00 -0.45 0.00 0.00 34.95 32.33 1n88 s ARG 60 CO 0.07 -0.28 1.38 0.41 -0.68 0.00 0.00 175.30 176.20 1n88 n GLY 61 N -1.32 0.33 0.07 -3.53 0.00 -1.24 -4.88 105.19 94.63 1n88 n GLY 61 Ca -0.07 0.80 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 1n88 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 62 N 3.01 0.44 -2.12 1.61 4.76 -1.26 -4.82 118.16 119.79 1n88 n LYS 62 Ca 0.22 0.19 -0.41 0.00 -2.87 0.00 0.00 58.31 55.44 1n88 n LYS 62 Cb 0.12 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 1n88 n LYS 62 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1n88 s LYS 63 N -2.58 4.36 -0.54 1.97 2.20 -1.26 -3.95 119.74 119.94 1n88 s LYS 63 Ca -0.24 2.21 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 1n88 s LYS 63 Cb 0.03 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1n88 s LYS 63 CO 0.35 -0.19 0.64 1.17 -0.36 0.00 0.00 175.35 176.96 1n88 n LYS 64 N 0.83 -1.99 0.00 4.03 4.81 -1.26 -4.97 118.16 119.61 1n88 n LYS 64 Ca 0.00 1.80 0.00 0.00 -0.87 0.00 0.00 58.31 59.24 1n88 n LYS 64 Cb 0.42 -5.14 0.00 0.00 0.02 0.00 0.00 35.03 30.32 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1n88 n ARG 65 N -0.83 0.00 -3.61 1.64 5.12 -1.25 -4.37 116.66 113.35 1n88 n ARG 65 Ca 0.04 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.72 1n88 n ARG 65 Cb 0.51 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.82 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1n88 n LEU 66 N -1.18 -2.87 -2.90 0.55 7.99 -1.26 -4.49 117.00 112.84 1n88 n LEU 66 Ca 0.00 -0.64 -0.10 0.00 -0.01 0.00 0.00 56.01 55.26 1n88 n LEU 66 Cb 0.00 -1.91 -0.02 0.00 -0.11 0.00 0.00 43.42 41.38 1n88 n LEU 66 CO 0.00 0.01 1.53 0.61 -1.51 0.00 0.00 177.39 178.02 1n88 n GLY 67 N -1.33 2.26 0.62 -0.72 0.00 -1.26 -3.63 105.19 101.13 1n88 n GLY 67 Ca -0.22 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.37 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N 4.09 0.18 -2.69 1.61 -4.01 -1.26 -4.87 116.66 109.71 1n88 n ARG 68 Ca 0.22 -1.40 -0.06 0.00 -1.04 0.00 0.00 57.85 55.57 1n88 n ARG 68 Cb 0.13 -0.56 0.09 0.00 -3.04 0.00 0.00 32.46 29.09 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1n88 n TYR 69 N -0.11 -1.61 -4.37 2.89 9.36 -1.24 -4.96 117.16 117.13 1n88 n TYR 69 Ca 0.03 -1.41 -0.38 0.00 3.32 0.00 0.00 57.90 59.46 1n88 n TYR 69 Cb 0.77 1.41 -0.06 0.00 -0.63 0.00 0.00 39.34 40.82 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1n88 n LEU 70 N 0.26 -1.26 0.00 2.98 7.94 -1.26 -4.88 117.00 120.78 1n88 n LEU 70 Ca -0.03 -1.15 0.00 0.00 -1.11 0.00 0.00 56.01 53.73 1n88 n LEU 70 Cb 0.73 -1.82 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1n88 n LEU 70 CO -0.04 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 1n88 n GLY 71 N -1.41 -2.41 3.43 -3.96 0.00 -1.26 -4.90 105.19 94.68 1n88 n GLY 71 Ca 0.03 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1n88 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 72 N -1.93 2.91 -0.51 1.61 1.02 -1.26 -4.96 119.74 116.62 1n88 s LYS 72 Ca 0.00 -1.06 0.07 0.00 0.02 0.00 0.00 55.97 54.99 1n88 s LYS 72 Cb 0.00 -3.90 0.19 0.00 -0.52 0.00 0.00 37.83 33.60 1n88 s LYS 72 CO 0.00 -0.75 0.70 -2.13 -0.92 0.00 0.00 175.35 172.25 1n88 n ARG 73 N 5.10 0.52 0.00 1.68 0.63 -1.26 -3.65 116.66 119.68 1n88 n ARG 73 Ca -0.11 -2.13 0.00 0.00 -0.92 0.00 0.00 57.85 54.68 1n88 n ARG 73 Cb 0.46 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1n88 n PRO 74 N 2.86 0.28 -3.78 -0.14 -0.04 -1.26 -4.84 135.00 128.09 1n88 n PRO 74 Ca 0.19 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 1n88 n PRO 74 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.91 1n88 n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1n88 s ASP 75 N -1.11 5.01 0.01 3.54 -4.77 -1.26 -4.69 116.67 113.40 1n88 s ASP 75 Ca 0.00 -2.99 0.06 0.00 -3.30 0.00 0.00 52.55 46.32 1n88 s ASP 75 Cb 0.00 -1.79 -0.02 0.00 -1.09 0.00 0.00 42.92 40.02 1n88 s ASP 75 CO 0.00 -0.31 -0.18 -0.60 0.70 0.00 0.00 175.17 174.78 1n88 s ARG 76 N -0.26 1.39 0.01 2.11 6.06 -1.21 -4.52 118.95 122.53 1n88 s ARG 76 Ca 0.18 -0.75 0.07 0.00 -2.50 0.00 0.00 55.73 52.73 1n88 s ARG 76 Cb -0.21 -1.39 -0.02 0.00 0.06 0.00 0.00 34.95 33.39 1n88 s ARG 76 CO -0.03 0.37 -0.22 -1.59 -2.50 0.00 0.00 175.30 171.33 1n88 s LYS 77 N -0.73 1.68 0.05 5.12 -2.85 -1.22 0.27 119.74 122.06 1n88 s LYS 77 Ca 0.07 -0.87 -0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1n88 s LYS 77 Cb -0.08 -1.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.95 1n88 s LYS 77 CO 0.00 0.46 0.18 -1.59 0.10 0.00 0.00 175.35 174.50 1n88 s LYS 78 N -0.80 3.36 -0.17 1.78 -2.85 0.18 -2.26 119.74 118.99 1n88 s LYS 78 Ca 0.09 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1n88 s LYS 78 Cb -0.09 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 1n88 s LYS 78 CO 0.00 0.62 -0.16 0.00 0.10 0.00 0.00 175.35 175.91 1n88 s ALA 79 N -1.45 2.48 -0.38 0.59 0.00 0.20 0.04 121.76 123.24 1n88 s ALA 79 Ca 0.33 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1n88 s ALA 79 Cb -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1n88 s ALA 79 CO 0.25 -0.14 0.24 0.42 0.00 0.00 0.00 175.76 176.53 1n88 s ILE 80 N 0.99 4.96 -0.12 0.00 1.09 0.88 0.26 121.20 129.26 1n88 s ILE 80 Ca -0.02 -0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 1n88 s ILE 80 Cb -0.15 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1n88 s ILE 80 CO -0.03 -0.20 -0.04 -0.69 -0.10 0.00 0.00 174.94 173.88 1n88 s VAL 81 N 1.64 3.92 0.13 2.92 1.01 0.84 0.28 120.40 131.14 1n88 s VAL 81 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1n88 s VAL 81 Cb -0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1n88 s VAL 81 CO 0.09 0.54 0.18 -1.58 0.00 0.00 0.00 175.10 174.32 1n88 s GLN 82 N -0.12 3.13 0.21 2.72 -0.44 0.44 -0.23 119.66 125.37 1n88 s GLN 82 Ca 0.03 -0.70 0.07 0.00 -2.50 0.00 0.00 55.36 52.26 1n88 s GLN 82 Cb -0.13 -2.81 -0.04 0.00 -1.64 0.00 0.00 33.01 28.40 1n88 s GLN 82 CO 0.02 0.53 0.07 0.14 0.50 0.00 0.00 175.29 176.55 1n88 s VAL 83 N -1.65 3.94 1.23 1.34 -7.23 -1.20 -0.30 120.40 116.53 1n88 s VAL 83 Ca 0.32 -1.48 -0.21 0.00 -1.81 0.00 0.00 61.98 58.81 1n88 s VAL 83 Cb -0.11 -3.05 0.30 0.00 0.56 0.00 0.00 36.38 34.08 1n88 s VAL 83 CO 0.25 -0.23 1.14 0.00 -0.31 0.00 0.00 175.10 175.96 1n88 s ALA 84 N -1.97 0.71 0.24 1.32 0.00 -0.86 -4.60 121.76 116.60 1n88 s ALA 84 Ca 0.30 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1n88 s ALA 84 Cb -0.08 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1n88 s ALA 84 CO 0.21 -3.66 1.15 -1.25 0.00 0.00 0.00 175.76 172.22 1n88 s PRO 85 N -5.58 4.56 0.00 0.00 0.04 -1.26 -3.39 135.00 129.37 1n88 s PRO 85 Ca 0.73 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1n88 s PRO 85 Cb -0.07 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1n88 s PRO 85 CO 0.55 0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.06 1n88 n GLY 86 N 1.59 2.75 3.53 0.56 0.00 -1.26 -5.05 105.19 107.31 1n88 n GLY 86 Ca 0.01 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 1n88 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n88 n GLN 87 N 0.00 0.70 -3.15 1.61 0.00 -1.22 -5.13 117.38 110.20 1n88 n GLN 87 Ca 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 57.00 54.02 1n88 n GLN 87 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 30.24 30.35 1n88 n GLN 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1n88 s LYS 88 N -4.20 0.00 -0.83 2.61 -2.85 -1.26 -4.83 119.74 108.38 1n88 s LYS 88 Ca 0.39 0.01 -0.21 0.00 -1.00 0.00 0.00 55.97 55.16 1n88 s LYS 88 Cb -0.03 0.00 -0.19 0.00 -2.06 0.00 0.00 37.83 35.55 1n88 s LYS 88 CO 0.25 -0.01 2.15 -0.89 0.10 0.00 0.00 175.35 176.96 1n88 n ILE 89 N 5.21 0.00 0.49 3.79 5.41 -1.26 -4.66 119.36 128.34 1n88 n ILE 89 Ca 0.02 -0.37 0.10 0.00 1.00 0.00 0.00 62.75 63.50 1n88 n ILE 89 Cb 0.57 -1.44 0.41 0.00 -0.71 0.00 0.00 39.64 38.48 1n88 n ILE 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1n88 n GLU 90 N 7.61 0.10 0.04 0.38 0.28 -1.26 -3.25 120.64 124.54 1n88 n GLU 90 Ca 0.45 0.31 0.21 0.00 -0.16 0.00 0.00 57.16 57.96 1n88 n GLU 90 Cb 0.39 -1.67 0.73 0.00 1.43 0.00 0.00 31.44 32.32 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 2.43 2.29 0.00 -1.84 0.00 -1.97 -1.47 119.26 118.70 1n88 h ALA 91 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1n88 h ALA 91 Cb 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1n88 h ALA 91 CO 0.00 -0.69 -1.75 1.28 0.00 0.00 0.00 179.25 178.09 1n88 n LEU 92 N -3.95 0.00 0.20 0.00 4.77 -1.20 -3.76 117.00 113.06 1n88 n LEU 92 Ca 0.09 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1n88 n LEU 92 Cb 0.64 0.12 0.42 0.00 -2.33 0.00 0.00 43.42 42.27 1n88 n LEU 92 CO 0.31 0.12 0.79 1.05 -1.33 0.00 0.00 177.39 178.33 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 -0.00 -1.39 -2.53 114.58 113.89 1n88 h GLU 93 Ca -0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.15 1n88 h GLU 93 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.82 1n88 h GLU 93 CO 0.01 0.30 -1.41 0.41 -0.00 0.00 0.00 179.01 178.31 1n88 n GLY 94 N -0.63 -1.26 0.48 1.06 0.00 -0.75 -4.04 105.19 100.04 1n88 n GLY 94 Ca -0.02 -0.25 0.25 0.00 0.00 0.00 0.00 46.02 46.00 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.00 0.00 0.00 0.99 4.07 -1.54 -3.52 115.31 115.31 1n88 h LEU 95 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1n88 h LEU 95 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1n88 h LEU 95 CO 0.02 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 177.00