#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 s LYS 2 N 0.00 3.53 0.21 2.12 -0.14 -1.26 -4.82 119.74 119.37 1n88 s LYS 2 Ca 0.00 0.74 0.14 0.00 -1.36 0.00 0.00 55.97 55.49 1n88 s LYS 2 Cb 0.00 -4.03 0.73 0.00 -1.68 0.00 0.00 37.83 32.85 1n88 s LYS 2 CO 0.00 -1.64 0.80 2.41 -0.76 0.00 0.00 175.35 176.16 1n88 n THR 3 N 6.99 -0.16 -0.64 2.17 -1.04 -1.26 0.30 114.28 120.63 1n88 n THR 3 Ca 0.15 0.97 -0.38 0.00 -2.04 0.00 0.00 64.05 62.75 1n88 n THR 3 Cb 0.48 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 67.34 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 -2.59 1.82 -2.67 2.41 0.00 -1.26 -4.18 120.51 114.03 1n88 n ALA 4 Ca 0.20 -2.50 -0.17 0.00 0.00 0.00 0.00 53.44 50.97 1n88 n ALA 4 Cb 0.74 -3.52 -0.03 0.00 0.00 0.00 0.00 19.45 16.64 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 7.77 -0.64 -2.94 0.00 4.11 -0.81 0.24 117.16 124.89 1n88 n TYR 5 Ca 0.42 0.27 -0.12 0.00 -0.00 0.00 0.00 57.90 58.47 1n88 n TYR 5 Cb 0.35 -0.81 0.06 0.00 -0.00 0.00 0.00 39.34 38.93 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 -0.76 -3.89 0.00 9.48 2.03 0.88 -4.90 116.55 119.40 1n88 n ASP 6 Ca 0.05 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1n88 n ASP 6 Cb 0.22 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.59 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 -3.06 0.00 -1.65 5.18 0.31 0.66 -4.74 118.33 115.03 1n88 n VAL 7 Ca -0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 1n88 n VAL 7 Cb 0.61 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.58 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 3.60 0.00 2.52 5.41 -1.26 -4.16 119.36 125.48 1n88 n ILE 8 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1n88 n ILE 8 Cb 0.00 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 -0.68 0.00 -4.75 1.39 4.77 -0.54 -4.55 117.00 112.64 1n88 n LEU 9 Ca 0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1n88 n LEU 9 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1n88 n LEU 9 CO 0.51 0.00 -0.21 0.00 -1.33 0.00 0.00 177.39 176.36 1n88 s ALA 10 N -2.10 3.46 0.63 -1.18 0.00 -1.26 -4.89 121.76 116.42 1n88 s ALA 10 Ca 0.00 -1.61 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1n88 s ALA 10 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1n88 s ALA 10 CO 0.00 0.18 1.04 -1.25 0.00 0.00 0.00 175.76 175.73 1n88 s PRO 11 N -3.81 3.31 -0.12 0.00 0.04 -1.26 -2.78 135.00 130.38 1n88 s PRO 11 Ca 0.34 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 1n88 s PRO 11 Cb -0.06 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1n88 s PRO 11 CO 0.23 -0.80 0.14 0.14 0.04 0.00 0.00 177.00 176.75 1n88 s VAL 12 N -2.88 5.50 -0.35 -0.36 -7.23 -1.22 -4.93 120.40 108.93 1n88 s VAL 12 Ca 0.59 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.85 1n88 s VAL 12 Cb -0.13 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1n88 s VAL 12 CO 0.47 0.62 0.21 -0.76 -0.31 0.00 0.00 175.10 175.33 1n88 s LEU 13 N -1.03 4.54 -0.28 1.32 2.01 -1.26 -4.78 118.68 119.19 1n88 s LEU 13 Ca 0.15 -0.69 -0.21 0.00 0.01 0.00 0.00 54.13 53.39 1n88 s LEU 13 Cb -0.12 -2.07 0.12 0.00 0.01 0.00 0.00 46.19 44.14 1n88 s LEU 13 CO 0.04 -0.30 0.95 -0.44 1.01 0.00 0.00 176.35 177.61 1n88 s SER 14 N 1.63 -0.55 0.28 2.29 0.01 -1.26 -5.00 113.70 111.10 1n88 s SER 14 Ca 0.04 0.96 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 1n88 s SER 14 Cb -0.18 1.10 0.58 0.00 0.21 0.00 0.00 66.02 67.73 1n88 s SER 14 CO 0.08 -0.16 1.60 -0.33 0.41 0.00 0.00 173.24 174.84 1n88 h GLU 15 N 5.27 0.05 -0.81 12.44 4.39 -1.98 1.14 114.58 135.08 1n88 h GLU 15 Ca -0.28 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.54 1n88 h GLU 15 Cb 1.19 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1n88 h GLU 15 CO 0.14 0.03 0.53 0.87 -1.16 0.00 0.00 179.01 179.42 1n88 h LYS 16 N 0.05 0.58 0.00 2.33 1.57 -1.99 -1.43 116.57 117.69 1n88 h LYS 16 Ca 0.51 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1n88 h LYS 16 Cb 0.95 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1n88 h LYS 16 CO -0.83 0.39 -0.00 0.00 -0.57 0.00 0.00 179.45 178.44 1n88 h ALA 17 N 1.62 -0.01 -1.07 3.86 0.00 0.89 -2.15 119.26 122.40 1n88 h ALA 17 Ca 0.39 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.61 1n88 h ALA 17 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1n88 h ALA 17 CO -0.15 -0.01 1.09 1.88 0.00 0.00 0.00 179.25 182.06 1n88 h TYR 18 N -0.63 0.00 0.08 0.00 0.05 -1.00 2.52 116.97 118.00 1n88 h TYR 18 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 1n88 h TYR 18 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1n88 h TYR 18 CO 0.00 0.00 -1.76 0.00 -1.05 0.00 0.00 178.16 175.35 1n88 h ALA 19 N 0.82 0.50 0.18 3.88 0.00 -1.33 -2.30 119.26 121.02 1n88 h ALA 19 Ca 0.51 -1.33 -0.33 0.00 0.00 0.00 0.00 54.91 53.76 1n88 h ALA 19 Cb 2.69 0.50 0.01 0.00 0.00 0.00 0.00 17.79 20.99 1n88 h ALA 19 CO -0.01 1.36 -1.58 0.78 0.00 0.00 0.00 179.25 179.80 1n88 h GLY 20 N 2.10 0.44 2.00 0.00 0.00 0.20 -3.21 103.07 104.60 1n88 h GLY 20 Ca -0.32 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 45.88 1n88 h GLY 20 CO 0.11 0.99 0.00 -2.75 0.00 0.00 0.00 176.54 174.88 1n88 h PHE 21 N 0.10 0.00 0.00 5.60 3.04 0.36 -2.96 116.94 123.09 1n88 h PHE 21 Ca -0.28 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.67 1n88 h PHE 21 Cb 2.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.60 1n88 h PHE 21 CO 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.38 1n88 h ALA 22 N 2.39 1.00 -0.02 2.41 0.00 -1.41 -0.41 119.26 123.23 1n88 h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 22 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n88 h ALA 22 CO 0.00 0.00 -0.20 -1.91 0.00 0.00 0.00 179.25 177.14 1n88 n GLU 23 N -2.63 1.41 0.00 0.00 2.13 -1.12 -4.88 120.64 115.55 1n88 n GLU 23 Ca -0.01 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.82 1n88 n GLU 23 Cb 0.13 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 1.32 0.98 3.76 8.31 0.00 -0.17 -4.90 105.19 114.50 1n88 n GLY 24 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.11 4.70 -0.27 1.61 1.02 -1.17 -2.93 119.74 122.59 1n88 s LYS 25 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1n88 s LYS 25 Cb 0.00 -3.24 0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1n88 s LYS 25 CO 0.00 0.53 0.03 0.71 -0.92 0.00 0.00 175.35 175.69 1n88 s TYR 26 N -1.20 2.24 0.25 3.18 2.02 0.68 -3.91 117.35 120.62 1n88 s TYR 26 Ca 0.39 -1.87 -0.30 0.00 -0.37 0.00 0.00 57.07 54.93 1n88 s TYR 26 Cb -0.24 -1.80 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 1n88 s TYR 26 CO 0.29 -0.82 0.96 0.99 -1.57 0.00 0.00 175.55 175.39 1n88 s THR 27 N 1.44 4.02 0.13 -0.71 2.01 -1.19 0.55 115.64 121.89 1n88 s THR 27 Ca 0.03 2.02 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 1n88 s THR 27 Cb -0.18 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1n88 s THR 27 CO -0.13 0.47 0.06 -0.36 -0.69 0.00 0.00 174.62 173.97 1n88 s PHE 28 N -1.19 0.84 -0.24 4.92 0.08 0.52 -3.44 117.98 119.47 1n88 s PHE 28 Ca 0.42 -1.22 -0.08 0.00 0.12 0.00 0.00 56.93 56.17 1n88 s PHE 28 Cb -0.26 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1n88 s PHE 28 CO 0.33 -0.52 0.08 -1.58 -0.10 0.00 0.00 175.22 173.43 1n88 s TRP 29 N -4.04 3.12 0.15 0.36 0.52 -1.12 0.44 118.94 118.38 1n88 s TRP 29 Ca 0.23 -0.28 -0.05 0.00 0.02 0.00 0.00 56.10 56.02 1n88 s TRP 29 Cb 0.07 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1n88 s TRP 29 CO 0.01 -0.25 0.18 0.54 0.02 0.00 0.00 176.95 177.46 1n88 s VAL 30 N 1.41 0.08 0.64 4.03 0.11 0.68 -1.47 120.40 125.87 1n88 s VAL 30 Ca 0.06 -1.64 -0.18 0.00 -2.93 0.00 0.00 61.98 57.28 1n88 s VAL 30 Cb -0.15 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1n88 s VAL 30 CO 0.04 -0.36 1.28 1.57 -3.33 0.00 0.00 175.10 174.30 1n88 n HIS 31 N -0.16 1.90 -1.49 1.54 -0.00 -1.26 -0.31 115.22 115.44 1n88 n HIS 31 Ca -0.06 0.42 -0.41 0.00 0.46 0.00 0.00 57.72 58.13 1n88 n HIS 31 Cb 0.63 -2.27 -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 -1.76 1.99 0.00 1.57 -0.04 -1.26 -2.99 135.00 132.51 1n88 n PRO 32 Ca 0.15 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1n88 n PRO 32 Cb 0.48 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 6.97 0.00 -1.52 0.54 2.85 -1.26 -5.04 118.16 120.70 1n88 n LYS 33 Ca 0.50 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.46 1n88 n LYS 33 Cb 0.41 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.66 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 n ALA 34 N 0.00 0.64 -0.92 0.58 0.00 -1.16 -4.84 120.51 114.81 1n88 n ALA 34 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 53.44 52.31 1n88 n ALA 34 Cb 0.00 -2.68 0.07 0.00 0.00 0.00 0.00 19.45 16.84 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 7.27 0.00 0.34 0.00 -2.24 -1.26 -4.53 114.28 113.87 1n88 n THR 35 Ca 0.57 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 62.02 1n88 n THR 35 Cb 0.24 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.26 -0.84 -0.95 -0.78 1.57 -1.88 -2.22 116.57 110.21 1n88 h LYS 36 Ca -0.43 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1n88 h LYS 36 Cb 1.36 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.81 1n88 h LYS 36 CO 0.26 -0.52 0.62 1.15 -0.57 0.00 0.00 179.45 180.39 1n88 h THR 37 N -1.08 1.16 -0.53 -0.16 2.02 -1.89 -2.09 112.91 110.34 1n88 h THR 37 Ca -0.09 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 66.74 1n88 h THR 37 Cb 0.71 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 1n88 h THR 37 CO 0.15 0.22 0.23 -0.33 0.37 0.00 0.00 175.52 176.15 1n88 h GLU 38 N 1.19 0.42 -0.30 6.66 5.08 -1.86 0.33 114.58 126.12 1n88 h GLU 38 Ca 0.38 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 1n88 h GLU 38 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1n88 h GLU 38 CO -0.11 0.28 0.21 0.82 -1.00 0.00 0.00 179.01 179.21 1n88 h ILE 39 N 0.44 0.86 -0.34 3.13 2.04 -0.74 -2.43 117.51 120.47 1n88 h ILE 39 Ca 0.25 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1n88 h ILE 39 Cb 0.22 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1n88 h ILE 39 CO -0.22 0.00 0.14 0.50 0.00 0.00 0.00 178.15 178.58 1n88 h LYS 40 N 0.02 0.29 -0.45 2.37 3.64 -0.77 -3.04 116.57 118.63 1n88 h LYS 40 Ca 0.14 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1n88 h LYS 40 Cb 0.54 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1n88 h LYS 40 CO -0.00 0.20 0.26 -0.91 -2.27 0.00 0.00 179.45 176.72 1n88 h ASN 41 N 0.30 0.41 -0.21 4.20 2.35 -1.44 -0.78 115.58 120.41 1n88 h ASN 41 Ca 0.15 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1n88 h ASN 41 Cb 0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1n88 h ASN 41 CO -0.13 0.29 0.09 0.00 -1.65 0.00 0.00 177.43 176.04 1n88 h ALA 42 N 1.21 0.24 0.00 -0.83 0.00 -1.61 -2.59 119.26 115.67 1n88 h ALA 42 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1n88 h ALA 42 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1n88 h ALA 42 CO -0.09 -0.33 -0.64 -0.39 0.00 0.00 0.00 179.25 177.80 1n88 h VAL 43 N 0.20 1.35 0.06 0.00 -1.51 -1.50 0.17 116.25 115.02 1n88 h VAL 43 Ca 0.09 -2.29 0.02 0.00 -1.23 0.00 0.00 66.70 63.29 1n88 h VAL 43 Cb 0.04 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 1n88 h VAL 43 CO -0.07 0.63 -0.16 -0.08 -1.23 0.00 0.00 177.57 176.65 1n88 h GLU 44 N 0.00 -0.29 0.12 5.19 4.22 -0.77 0.34 114.58 123.39 1n88 h GLU 44 Ca -0.01 0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.29 1n88 h GLU 44 Cb 1.22 0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.55 1n88 h GLU 44 CO 0.08 -0.19 -0.71 1.79 -2.18 0.00 0.00 179.01 177.81 1n88 h THR 45 N -0.30 1.54 0.41 0.32 1.35 -1.50 -0.87 112.91 113.87 1n88 h THR 45 Ca 0.04 -2.50 -0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1n88 h THR 45 Cb 0.34 3.22 -0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1n88 h THR 45 CO -0.12 0.70 -0.24 0.00 -0.25 0.00 0.00 175.52 175.61 1n88 h ALA 46 N 0.06 -1.11 0.00 6.62 0.00 -0.60 -2.82 119.26 121.41 1n88 h ALA 46 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n88 h ALA 46 Cb 1.54 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1n88 h ALA 46 CO 0.12 -1.08 0.00 0.74 0.00 0.00 0.00 179.25 179.04 1n88 h PHE 47 N -0.60 0.00 -4.07 0.00 0.04 -0.50 -3.47 116.94 108.34 1n88 h PHE 47 Ca -0.06 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.50 1n88 h PHE 47 Cb 0.48 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.72 1n88 h PHE 47 CO 0.03 0.00 -0.44 1.63 -0.60 0.00 0.00 178.31 178.93 1n88 n LYS 48 N -2.94 -4.26 -1.01 1.51 4.76 -0.39 -5.00 118.16 110.83 1n88 n LYS 48 Ca 0.01 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1n88 n LYS 48 Cb 0.32 -4.51 0.00 0.00 -1.84 0.00 0.00 35.03 29.00 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1n88 n VAL 49 N -3.29 0.00 -4.04 -0.18 3.14 -0.84 -5.00 118.33 108.13 1n88 n VAL 49 Ca -0.11 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.95 1n88 n VAL 49 Cb 0.58 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.21 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N -0.52 2.38 0.16 1.45 2.36 -1.26 -4.60 119.74 119.71 1n88 s LYS 50 Ca 0.00 -1.27 -0.30 0.00 -2.55 0.00 0.00 55.97 51.85 1n88 s LYS 50 Cb 0.00 -2.92 -0.07 0.00 -1.05 0.00 0.00 37.83 33.79 1n88 s LYS 50 CO 0.00 -0.54 0.99 0.08 1.55 0.00 0.00 175.35 177.44 1n88 s VAL 51 N 1.16 4.22 -0.13 4.02 1.01 -1.26 -2.96 120.40 126.45 1n88 s VAL 51 Ca -0.07 1.95 0.02 0.00 0.00 0.00 0.00 61.98 63.89 1n88 s VAL 51 Cb -0.19 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1n88 s VAL 51 CO -0.05 0.35 0.21 0.55 0.00 0.00 0.00 175.10 176.16 1n88 n VAL 52 N 2.34 0.00 -3.65 2.92 3.14 0.78 -4.75 118.33 119.11 1n88 n VAL 52 Ca 0.01 -0.47 0.01 0.00 -2.96 0.00 0.00 64.34 60.93 1n88 n VAL 52 Cb 0.48 1.01 -0.06 0.00 -1.06 0.00 0.00 33.84 34.21 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 -0.91 0.12 -0.16 1.45 -2.85 -1.11 -4.91 119.74 111.39 1n88 s LYS 53 Ca 0.01 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 1n88 s LYS 53 Cb 0.01 0.03 0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1n88 s LYS 53 CO 0.06 -0.02 -0.15 0.08 0.10 0.00 0.00 175.35 175.42 1n88 s VAL 54 N 0.94 1.66 -0.23 1.79 1.01 -1.25 0.16 120.40 124.48 1n88 s VAL 54 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1n88 s VAL 54 Cb -0.03 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1n88 s VAL 54 CO -0.11 0.45 -0.10 0.21 0.00 0.00 0.00 175.10 175.55 1n88 s ASN 55 N 1.45 4.06 0.02 3.32 3.84 0.76 -4.84 114.94 123.55 1n88 s ASN 55 Ca 0.05 -0.86 0.03 0.00 0.21 0.00 0.00 52.86 52.28 1n88 s ASN 55 Cb -0.13 -1.61 -0.04 0.00 -0.55 0.00 0.00 41.25 38.92 1n88 s ASN 55 CO -0.11 -0.10 -0.03 0.42 -2.79 0.00 0.00 177.10 174.49 1n88 s THR 56 N 1.30 3.88 0.23 -5.21 -4.23 -1.25 0.27 115.64 110.62 1n88 s THR 56 Ca 0.00 -0.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1n88 s THR 56 Cb -0.16 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 1n88 s THR 56 CO -0.06 0.34 -0.15 -1.48 -0.54 0.00 0.00 174.62 172.72 1n88 s LEU 57 N -1.63 2.56 -0.26 4.79 0.05 0.35 -4.91 118.68 119.64 1n88 s LEU 57 Ca 0.19 -1.04 -0.29 0.00 0.05 0.00 0.00 54.13 53.04 1n88 s LEU 57 Cb -0.11 -0.79 -0.01 0.00 -2.05 0.00 0.00 46.19 43.22 1n88 s LEU 57 CO 0.10 -0.13 1.44 -2.28 -0.55 0.00 0.00 176.35 174.94 1n88 s HIS 58 N -2.84 2.42 -0.09 3.48 5.65 -1.26 -1.39 115.29 121.25 1n88 s HIS 58 Ca 0.25 0.72 -0.03 0.00 0.25 0.00 0.00 55.06 56.26 1n88 s HIS 58 Cb -0.02 -3.93 -0.03 0.00 -1.18 0.00 0.00 32.58 27.42 1n88 s HIS 58 CO 0.10 -2.28 0.02 0.08 -0.65 0.00 0.00 174.74 172.00 1n88 s VAL 59 N 4.72 4.45 -0.01 0.89 1.01 -0.41 -4.91 120.40 126.14 1n88 s VAL 59 Ca 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1n88 s VAL 59 Cb -0.21 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1n88 s VAL 59 CO 0.26 0.60 -0.00 -0.13 0.00 0.00 0.00 175.10 175.83 1n88 s ARG 60 N -0.83 0.16 0.14 2.72 3.00 -1.26 -2.79 118.95 120.08 1n88 s ARG 60 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 55.73 55.87 1n88 s ARG 60 Cb -0.11 -0.28 0.03 0.00 0.00 0.00 0.00 34.95 34.59 1n88 s ARG 60 CO 0.02 -0.06 0.08 0.41 0.00 0.00 0.00 175.30 175.75 1n88 n GLY 61 N 3.65 -2.81 3.07 -3.53 0.00 -1.26 -4.84 105.19 99.46 1n88 n GLY 61 Ca -0.21 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N -1.74 -0.22 0.00 1.61 3.00 -1.26 -4.97 118.16 114.58 1n88 n LYS 62 Ca 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1n88 n LYS 62 Cb 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1n88 n LYS 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1n88 n LYS 63 N 1.57 3.60 -2.99 1.64 4.81 -1.26 -4.81 118.16 120.72 1n88 n LYS 63 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 1n88 n LYS 63 Cb 0.65 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.71 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n88 n LYS 64 N 0.00 -2.14 0.00 1.64 4.76 -1.26 -4.87 118.16 116.29 1n88 n LYS 64 Ca 0.00 1.90 0.13 0.00 -2.87 0.00 0.00 58.31 57.46 1n88 n LYS 64 Cb 0.00 -3.67 0.38 0.00 -1.84 0.00 0.00 35.03 29.90 1n88 n LYS 64 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1n88 n ARG 65 N 0.60 0.37 -1.51 1.97 3.00 -1.26 -4.63 116.66 115.20 1n88 n ARG 65 Ca 0.01 -0.19 -0.29 0.00 -0.00 0.00 0.00 57.85 57.38 1n88 n ARG 65 Cb 0.32 -1.50 -0.18 0.00 0.00 0.00 0.00 32.46 31.10 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1n88 n LEU 66 N -1.15 -0.52 -2.99 6.15 4.32 -1.26 -4.23 117.00 117.33 1n88 n LEU 66 Ca 0.09 -0.35 -0.12 0.00 -0.02 0.00 0.00 56.01 55.60 1n88 n LEU 66 Cb 0.33 -0.78 -0.02 0.00 -1.62 0.00 0.00 43.42 41.34 1n88 n LEU 66 CO 0.30 -1.27 1.72 0.61 -1.22 0.00 0.00 177.39 177.52 1n88 n GLY 67 N 5.95 2.45 0.28 -0.72 0.00 -1.26 -3.97 105.19 107.92 1n88 n GLY 67 Ca 0.65 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N 4.23 2.32 -2.74 1.61 5.12 -1.26 -4.68 116.66 121.27 1n88 n ARG 68 Ca 0.26 -2.23 -0.09 0.00 -1.93 0.00 0.00 57.85 53.87 1n88 n ARG 68 Cb 0.12 -1.38 0.09 0.00 -1.16 0.00 0.00 32.46 30.13 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1n88 n TYR 69 N -0.72 -1.86 -4.47 -1.55 9.36 -1.25 -4.97 117.16 111.70 1n88 n TYR 69 Ca 0.11 -2.23 -0.41 0.00 3.32 0.00 0.00 57.90 58.70 1n88 n TYR 69 Cb 0.54 1.18 -0.07 0.00 -0.63 0.00 0.00 39.34 40.36 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 -0.22 -0.98 0.00 2.98 -0.00 -1.26 -4.86 117.00 112.67 1n88 n LEU 70 Ca 0.03 -1.22 0.00 0.00 -0.00 0.00 0.00 56.01 54.82 1n88 n LEU 70 Cb 0.80 -1.67 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1n88 n LEU 70 CO 0.02 0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 1n88 n GLY 71 N -1.29 0.56 2.80 -3.96 0.00 -1.26 -5.03 105.19 97.01 1n88 n GLY 71 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1n88 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 72 N 0.00 -1.20 -1.52 1.61 5.02 -1.26 -4.85 118.16 115.96 1n88 n LYS 72 Ca 0.00 1.39 -0.48 0.00 -2.02 0.00 0.00 58.31 57.21 1n88 n LYS 72 Cb 0.00 -5.10 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 1n88 n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 73 N -1.52 0.78 0.00 1.97 3.00 -1.26 -4.95 116.66 114.67 1n88 n ARG 73 Ca 0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 1n88 n ARG 73 Cb 0.49 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1n88 n PRO 74 N 1.11 -0.18 -3.81 5.56 -0.04 -1.26 -4.91 135.00 131.47 1n88 n PRO 74 Ca 0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.27 1n88 n PRO 74 Cb 0.26 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.61 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.31 4.88 0.20 3.54 1.01 -1.26 -4.60 116.67 119.12 1n88 s ASP 75 Ca 0.00 -3.00 -0.04 0.00 0.71 0.00 0.00 52.55 50.23 1n88 s ASP 75 Cb 0.00 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 1n88 s ASP 75 CO 0.00 -0.30 0.43 0.00 0.21 0.00 0.00 175.17 175.52 1n88 s ARG 76 N -0.27 3.60 -0.03 8.23 3.03 -1.12 -4.21 118.95 128.18 1n88 s ARG 76 Ca 0.18 -0.13 0.07 0.00 2.03 0.00 0.00 55.73 57.88 1n88 s ARG 76 Cb -0.22 -2.79 -0.01 0.00 -1.03 0.00 0.00 34.95 30.90 1n88 s ARG 76 CO -0.03 0.38 -0.24 0.21 -1.13 0.00 0.00 175.30 174.49 1n88 s LYS 77 N -3.09 2.17 0.09 3.89 2.20 0.58 -1.28 119.74 124.30 1n88 s LYS 77 Ca 0.41 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1n88 s LYS 77 Cb -0.11 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 1n88 s LYS 77 CO 0.27 0.45 0.09 0.15 -0.36 0.00 0.00 175.35 175.95 1n88 s LYS 78 N -0.38 2.89 -0.07 4.03 1.02 -0.49 0.25 119.74 126.98 1n88 s LYS 78 Ca 0.04 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.34 1n88 s LYS 78 Cb -0.11 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1n88 s LYS 78 CO 0.01 0.56 -0.12 0.00 -0.92 0.00 0.00 175.35 174.88 1n88 s ALA 79 N -1.44 1.26 -0.32 5.17 0.00 0.17 -0.50 121.76 126.11 1n88 s ALA 79 Ca 0.30 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 1n88 s ALA 79 Cb -0.12 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1n88 s ALA 79 CO 0.22 0.04 0.10 0.42 0.00 0.00 0.00 175.76 176.55 1n88 s ILE 80 N 0.81 3.91 -0.10 0.00 1.09 0.75 0.20 121.20 127.86 1n88 s ILE 80 Ca -0.12 -0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 58.47 1n88 s ILE 80 Cb -0.15 -3.14 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 1n88 s ILE 80 CO 0.02 -0.08 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.06 1n88 s VAL 81 N 1.45 4.05 0.17 2.92 1.01 0.19 0.27 120.40 130.46 1n88 s VAL 81 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1n88 s VAL 81 Cb -0.19 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1n88 s VAL 81 CO 0.03 0.57 -0.02 -1.58 0.00 0.00 0.00 175.10 174.11 1n88 s GLN 82 N -0.55 2.36 0.21 2.72 2.00 0.42 0.25 119.66 127.07 1n88 s GLN 82 Ca 0.09 -1.10 0.10 0.00 -2.00 0.00 0.00 55.36 52.45 1n88 s GLN 82 Cb -0.12 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.30 1n88 s GLN 82 CO 0.02 0.46 -0.14 0.14 -0.50 0.00 0.00 175.29 175.28 1n88 s VAL 83 N -1.67 2.91 1.26 1.34 -7.23 -1.15 0.27 120.40 116.13 1n88 s VAL 83 Ca 0.27 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1n88 s VAL 83 Cb -0.09 -2.46 0.30 0.00 0.56 0.00 0.00 36.38 34.69 1n88 s VAL 83 CO 0.18 -0.18 0.68 0.00 -0.31 0.00 0.00 175.10 175.47 1n88 n ALA 84 N -0.11 -4.17 -1.76 1.32 0.00 -1.16 -4.70 120.51 109.93 1n88 n ALA 84 Ca -0.10 -1.21 -0.40 0.00 0.00 0.00 0.00 53.44 51.73 1n88 n ALA 84 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1n88 n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n88 s PRO 85 N -4.43 4.50 0.00 0.00 0.04 -1.26 -2.89 135.00 130.96 1n88 s PRO 85 Ca 0.53 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1n88 s PRO 85 Cb -0.09 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1n88 s PRO 85 CO 0.44 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1n88 n GLY 86 N 1.01 3.16 3.93 0.56 0.00 -1.26 -5.03 105.19 107.56 1n88 n GLY 86 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1n88 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n88 s GLN 87 N -0.43 2.53 0.00 1.61 -0.21 -1.14 -5.09 119.66 116.93 1n88 s GLN 87 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1n88 s GLN 87 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1n88 s GLN 87 CO 0.00 -0.94 0.00 1.17 -2.12 0.00 0.00 175.29 173.40 1n88 n LYS 88 N -2.69 0.00 -2.09 2.91 0.00 -1.26 -4.92 118.16 110.11 1n88 n LYS 88 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.96 1n88 n LYS 88 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.61 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n88 n ILE 89 N 0.00 3.36 0.10 3.15 5.41 -1.26 -4.73 119.36 125.39 1n88 n ILE 89 Ca 0.00 -3.27 0.06 0.00 1.00 0.00 0.00 62.75 60.54 1n88 n ILE 89 Cb 0.00 -2.42 0.30 0.00 -0.71 0.00 0.00 39.64 36.81 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 7.44 0.07 0.31 0.38 -0.00 -1.26 -2.30 120.64 125.28 1n88 n GLU 90 Ca 0.50 0.53 0.16 0.00 -0.00 0.00 0.00 57.16 58.34 1n88 n GLU 90 Cb 0.43 -1.88 0.83 0.00 -0.00 0.00 0.00 31.44 30.82 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n88 h ALA 91 N 1.57 1.40 0.00 -1.84 0.00 -1.95 -0.05 119.26 118.40 1n88 h ALA 91 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 91 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1n88 h ALA 91 CO 0.00 -0.35 -1.76 1.28 0.00 0.00 0.00 179.25 178.42 1n88 n LEU 92 N -2.98 0.00 -0.21 0.00 4.77 -0.98 -4.32 117.00 113.28 1n88 n LEU 92 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1n88 n LEU 92 Cb 0.39 0.11 0.43 0.00 -2.33 0.00 0.00 43.42 42.02 1n88 n LEU 92 CO 0.15 0.11 1.21 -0.33 -1.33 0.00 0.00 177.39 177.20 1n88 h GLU 93 N 0.00 0.55 -0.01 3.23 4.39 -1.14 0.27 114.58 121.88 1n88 h GLU 93 Ca -0.12 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1n88 h GLU 93 Cb 1.05 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1n88 h GLU 93 CO 0.01 0.37 -0.25 0.41 -1.16 0.00 0.00 179.01 178.39 1n88 n GLY 94 N -1.48 -0.61 0.00 -3.84 0.00 -1.19 -3.85 105.19 94.23 1n88 n GLY 94 Ca 0.15 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1n88 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n88 n LEU 95 N -0.64 0.00 0.00 0.99 7.94 0.95 -5.17 117.00 121.07 1n88 n LEU 95 Ca 0.12 0.27 0.13 0.00 -1.11 0.00 0.00 56.01 55.43 1n88 n LEU 95 Cb 0.35 -0.27 0.78 0.00 0.53 0.00 0.00 43.42 44.80 1n88 n LEU 95 CO 0.26 -0.15 0.95 -0.38 -1.11 0.00 0.00 177.39 176.96