#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 1.98 0.00 3.17 -2.85 -1.26 -4.18 119.74 116.59 1n88 s LYS 2 Ca 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 1n88 s LYS 2 Cb 0.00 -4.74 0.00 0.00 -2.06 0.00 0.00 37.83 31.03 1n88 s LYS 2 CO 0.00 -3.80 0.00 -2.37 0.10 0.00 0.00 175.35 169.28 1n88 n THR 3 N 8.28 0.00 0.00 3.79 5.66 -1.26 -3.64 114.28 127.12 1n88 n THR 3 Ca 0.40 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 1n88 n THR 3 Cb 0.48 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 n ALA 4 N -1.51 0.00 -1.00 1.79 0.00 -1.26 -2.39 120.51 116.14 1n88 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n88 n ALA 4 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.22 0.00 -0.06 0.00 4.11 -1.26 -0.60 117.16 119.13 1n88 n TYR 5 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1n88 n TYR 5 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1n88 n ASP 6 N 0.00 -0.16 0.00 9.48 9.92 -1.26 -3.28 116.55 131.25 1n88 n ASP 6 Ca 0.00 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1n88 n ASP 6 Cb 0.00 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1n88 n VAL 7 N -3.58 0.00 -2.62 2.53 0.31 -1.26 -1.23 118.33 112.48 1n88 n VAL 7 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1n88 n VAL 7 Cb 0.04 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.46 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N 0.00 3.97 0.00 2.52 1.01 -1.21 -2.69 121.20 124.80 1n88 s ILE 8 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1n88 s ILE 8 Cb 0.00 -4.96 0.00 0.00 0.01 0.00 0.00 42.46 37.51 1n88 s ILE 8 CO 0.00 -1.83 0.00 0.18 0.00 0.00 0.00 174.94 173.29 1n88 n LEU 9 N 8.71 0.00 -4.78 2.97 4.77 0.56 -4.05 117.00 125.17 1n88 n LEU 9 Ca 0.20 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 1n88 n LEU 9 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1n88 n LEU 9 CO 0.66 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.55 1n88 s ALA 10 N -3.01 3.58 0.84 -1.18 0.00 -1.24 -4.74 121.76 116.01 1n88 s ALA 10 Ca 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 1n88 s ALA 10 Cb 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1n88 s ALA 10 CO 0.00 0.12 1.11 -1.25 0.00 0.00 0.00 175.76 175.74 1n88 s PRO 11 N -3.87 1.77 -0.06 0.00 0.04 -1.26 0.21 135.00 131.83 1n88 s PRO 11 Ca 0.36 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1n88 s PRO 11 Cb -0.06 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1n88 s PRO 11 CO 0.24 -1.81 -0.16 0.14 0.04 0.00 0.00 177.00 175.45 1n88 s VAL 12 N -3.20 2.87 -0.35 -0.36 -7.23 -0.91 -4.69 120.40 106.52 1n88 s VAL 12 Ca 0.62 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 1n88 s VAL 12 Cb -0.14 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.68 1n88 s VAL 12 CO 0.54 0.58 0.21 -0.76 -0.31 0.00 0.00 175.10 175.36 1n88 s LEU 13 N -0.49 4.54 -0.07 1.32 2.01 -1.26 -4.80 118.68 119.92 1n88 s LEU 13 Ca 0.06 -0.71 -0.18 0.00 0.01 0.00 0.00 54.13 53.32 1n88 s LEU 13 Cb -0.12 -2.06 0.04 0.00 0.01 0.00 0.00 46.19 44.06 1n88 s LEU 13 CO 0.01 -0.30 0.43 -0.94 1.01 0.00 0.00 176.35 176.56 1n88 s SER 14 N 1.63 -0.37 0.14 2.29 1.04 -1.26 -5.00 113.70 112.16 1n88 s SER 14 Ca 0.04 0.48 -0.31 0.00 0.48 0.00 0.00 55.95 56.65 1n88 s SER 14 Cb -0.18 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1n88 s SER 14 CO 0.08 -0.38 1.52 -0.33 0.98 0.00 0.00 173.24 175.11 1n88 h GLU 15 N 4.22 -0.17 -0.84 4.02 4.39 -1.99 0.39 114.58 124.60 1n88 h GLU 15 Ca -0.28 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.53 1n88 h GLU 15 Cb 1.17 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 1n88 h GLU 15 CO 0.34 -0.11 0.48 1.57 -1.16 0.00 0.00 179.01 180.12 1n88 h LYS 16 N -0.18 0.76 0.86 2.33 2.10 -1.97 -1.49 116.57 118.98 1n88 h LYS 16 Ca 0.11 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1n88 h LYS 16 Cb 0.48 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1n88 h LYS 16 CO -0.75 0.50 -0.41 0.00 -2.00 0.00 0.00 179.45 176.79 1n88 h ALA 17 N 1.48 -1.16 -1.05 0.07 0.00 -0.89 0.90 119.26 118.60 1n88 h ALA 17 Ca 0.42 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.35 1n88 h ALA 17 Cb 0.42 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1n88 h ALA 17 CO -0.27 -1.07 0.68 1.88 0.00 0.00 0.00 179.25 180.47 1n88 h TYR 18 N -1.31 0.64 -0.00 0.00 0.05 -0.18 2.38 116.97 118.55 1n88 h TYR 18 Ca -0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1n88 h TYR 18 Cb 0.89 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1n88 h TYR 18 CO 0.00 0.05 -0.45 0.00 -1.05 0.00 0.00 178.16 176.71 1n88 n ALA 19 N -2.48 3.46 -0.10 3.88 0.00 -0.58 -2.77 120.51 121.92 1n88 n ALA 19 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1n88 n ALA 19 Cb 0.91 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 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 1.46 -0.61 0.21 0.00 0.00 0.34 -4.28 105.19 102.32 1n88 n GLY 20 Ca 0.07 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1n88 n GLY 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1n88 h PHE 21 N 0.00 0.00 -0.10 1.61 -0.00 0.34 -3.22 116.94 115.57 1n88 h PHE 21 Ca -0.49 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 57.51 1n88 h PHE 21 Cb 1.94 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.89 1n88 h PHE 21 CO 0.01 0.07 0.35 0.00 -0.00 0.00 0.00 178.31 178.75 1n88 h ALA 22 N 1.93 1.52 -0.28 12.09 0.00 -1.65 0.30 119.26 133.17 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 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n88 h ALA 22 CO 0.01 -0.40 0.00 -1.91 0.00 0.00 0.00 179.25 176.94 1n88 n GLU 23 N -3.10 2.48 -0.28 0.00 2.13 -1.22 -4.79 120.64 115.87 1n88 n GLU 23 Ca 0.00 -1.35 0.00 0.00 0.66 0.00 0.00 57.16 56.47 1n88 n GLU 23 Cb 0.43 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.46 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 0.49 0.69 3.78 8.31 0.00 0.10 -4.82 105.19 113.74 1n88 n GLY 24 Ca 0.12 0.00 -0.38 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 -0.69 4.57 -0.19 1.61 1.02 -0.84 -2.27 119.74 122.95 1n88 s LYS 25 Ca 0.00 1.23 -0.00 0.00 0.02 0.00 0.00 55.97 57.22 1n88 s LYS 25 Cb 0.00 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1n88 s LYS 25 CO 0.00 0.42 -0.05 0.71 -0.92 0.00 0.00 175.35 175.51 1n88 s TYR 26 N -1.39 1.93 -0.19 3.18 2.02 0.74 -3.95 117.35 119.67 1n88 s TYR 26 Ca 0.43 -1.32 -0.25 0.00 -0.37 0.00 0.00 57.07 55.56 1n88 s TYR 26 Cb -0.21 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 1n88 s TYR 26 CO 0.25 -0.68 0.85 0.99 -1.57 0.00 0.00 175.55 175.39 1n88 s THR 27 N 1.56 4.85 0.35 -0.71 2.01 -1.17 0.16 115.64 122.69 1n88 s THR 27 Ca -0.02 1.64 0.09 0.00 0.31 0.00 0.00 61.69 63.71 1n88 s THR 27 Cb -0.17 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1n88 s THR 27 CO -0.07 -0.02 0.00 -0.36 -0.69 0.00 0.00 174.62 173.48 1n88 s PHE 28 N 2.42 2.52 -0.25 4.92 0.08 0.78 -2.13 117.98 126.32 1n88 s PHE 28 Ca 0.38 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 1n88 s PHE 28 Cb -0.16 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 1n88 s PHE 28 CO 0.10 0.48 0.18 -1.58 -0.10 0.00 0.00 175.22 174.31 1n88 s TRP 29 N -2.55 3.28 0.05 0.36 0.23 0.56 0.12 118.94 120.99 1n88 s TRP 29 Ca 0.35 0.20 -0.06 0.00 -2.03 0.00 0.00 56.10 54.56 1n88 s TRP 29 Cb 0.01 -2.32 -0.01 0.00 0.03 0.00 0.00 33.47 31.18 1n88 s TRP 29 CO 0.19 -0.02 0.11 0.54 0.96 0.00 0.00 176.95 178.72 1n88 s VAL 30 N 1.34 0.14 0.66 4.03 0.11 0.18 0.21 120.40 127.07 1n88 s VAL 30 Ca 0.08 -1.16 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 1n88 s VAL 30 Cb -0.14 -1.04 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1n88 s VAL 30 CO 0.07 -0.64 1.24 -2.28 -3.33 0.00 0.00 175.10 170.15 1n88 s HIS 31 N -2.96 2.17 -0.89 1.54 2.46 -0.37 -2.94 115.29 114.29 1n88 s HIS 31 Ca -0.02 1.53 -0.20 0.00 0.47 0.00 0.00 55.06 56.85 1n88 s HIS 31 Cb 0.01 -3.55 -0.12 0.00 -0.13 0.00 0.00 32.58 28.79 1n88 s HIS 31 CO -0.06 -2.59 2.00 -0.35 -2.47 0.00 0.00 174.74 171.26 1n88 n PRO 32 N -2.09 1.77 0.00 2.88 -0.04 -1.26 -2.62 135.00 133.64 1n88 n PRO 32 Ca 0.14 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1n88 n PRO 32 Cb 0.49 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 6.63 0.00 -1.50 0.54 2.85 -1.26 -5.07 118.16 120.35 1n88 n LYS 33 Ca 0.50 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.51 1n88 n LYS 33 Cb 0.38 0.00 -0.22 0.00 -0.65 0.00 0.00 35.03 34.55 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 1.00 -1.47 0.58 0.00 -1.08 -4.74 120.51 114.80 1n88 n ALA 34 Ca 0.00 -0.75 -0.49 0.00 0.00 0.00 0.00 53.44 52.20 1n88 n ALA 34 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 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 5.85 1.49 -0.35 0.00 -2.24 -1.26 -4.44 114.28 113.33 1n88 n THR 35 Ca 0.67 -0.37 0.30 0.00 -2.27 0.00 0.00 64.05 62.38 1n88 n THR 35 Cb 0.13 -0.29 0.56 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.86 0.13 -0.03 -0.78 1.79 -1.95 1.69 116.57 119.28 1n88 h LYS 36 Ca -0.36 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 57.91 1n88 h LYS 36 Cb 1.41 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1n88 h LYS 36 CO 0.61 0.09 -0.81 1.15 -1.08 0.00 0.00 179.45 179.40 1n88 h THR 37 N 0.14 1.43 -0.59 -0.16 2.02 -1.95 -3.18 112.91 110.61 1n88 h THR 37 Ca 0.80 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1n88 h THR 37 Cb 2.10 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 70.78 1n88 h THR 37 CO -0.64 0.70 0.38 -0.33 0.37 0.00 0.00 175.52 176.00 1n88 h GLU 38 N 0.19 0.79 -0.29 6.66 4.39 0.22 0.09 114.58 126.63 1n88 h GLU 38 Ca -0.04 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1n88 h GLU 38 Cb 1.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1n88 h GLU 38 CO 0.13 0.55 0.21 0.82 -1.16 0.00 0.00 179.01 179.55 1n88 h ILE 39 N 0.80 0.88 -0.33 3.13 2.04 -1.22 0.97 117.51 123.78 1n88 h ILE 39 Ca 0.22 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 66.01 1n88 h ILE 39 Cb -0.06 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1n88 h ILE 39 CO -0.04 0.01 -0.02 0.50 0.00 0.00 0.00 178.15 178.59 1n88 h LYS 40 N 0.04 0.59 -0.08 2.37 3.64 -0.98 -2.78 116.57 119.37 1n88 h LYS 40 Ca 0.14 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1n88 h LYS 40 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1n88 h LYS 40 CO -0.01 0.73 -0.36 -0.91 -2.27 0.00 0.00 179.45 176.63 1n88 h ASN 41 N 0.39 0.45 0.09 4.20 -0.26 -0.49 -2.47 115.58 117.48 1n88 h ASN 41 Ca 0.09 -0.65 0.01 0.00 -0.56 0.00 0.00 56.30 55.19 1n88 h ASN 41 Cb 0.48 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1n88 h ASN 41 CO 0.02 1.02 -0.11 0.00 -1.06 0.00 0.00 177.43 177.30 1n88 h ALA 42 N 0.44 -0.19 -0.24 -0.83 0.00 -0.95 0.14 119.26 117.63 1n88 h ALA 42 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n88 h ALA 42 Cb 1.01 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1n88 h ALA 42 CO 0.07 -0.63 0.14 0.28 0.00 0.00 0.00 179.25 179.12 1n88 h VAL 43 N -0.23 1.11 -0.71 0.00 2.07 -1.18 0.14 116.25 117.46 1n88 h VAL 43 Ca 0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1n88 h VAL 43 Cb 0.23 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1n88 h VAL 43 CO -0.04 0.10 0.44 -0.33 0.02 0.00 0.00 177.57 177.76 1n88 h GLU 44 N 0.29 0.82 0.00 1.57 4.39 -1.22 0.98 114.58 121.42 1n88 h GLU 44 Ca 0.09 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1n88 h GLU 44 Cb 0.05 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1n88 h GLU 44 CO -0.01 0.54 0.00 -2.37 -1.16 0.00 0.00 179.01 176.01 1n88 n THR 45 N -4.68 0.71 -0.01 1.13 5.66 0.48 -1.05 114.28 116.53 1n88 n THR 45 Ca 0.08 0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 61.14 1n88 n THR 45 Cb 0.10 -0.91 -0.00 0.00 -1.55 0.00 0.00 70.33 67.97 1n88 n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 n ALA 46 N -1.71 0.47 0.25 1.79 0.00 0.47 -4.63 120.51 117.14 1n88 n ALA 46 Ca 0.04 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.35 1n88 n ALA 46 Cb 0.29 0.01 0.53 0.00 0.00 0.00 0.00 19.45 20.27 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N -0.08 0.00 -5.18 0.00 0.04 0.71 -3.47 116.94 108.96 1n88 h PHE 47 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1n88 h PHE 47 Cb 0.08 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.36 1n88 h PHE 47 CO -0.04 0.09 -0.61 1.63 -0.60 0.00 0.00 178.31 178.79 1n88 n LYS 48 N -3.21 -6.55 0.00 1.51 5.02 -0.21 -5.01 118.16 109.72 1n88 n LYS 48 Ca 0.01 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1n88 n LYS 48 Cb 0.39 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -4.37 0.00 -3.98 -0.18 3.14 -1.26 -5.05 118.33 106.62 1n88 n VAL 49 Ca -0.07 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.98 1n88 n VAL 49 Cb 0.58 -0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 32.91 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 1.68 1.97 -0.22 1.45 2.36 -1.26 -4.80 119.74 120.91 1n88 s LYS 50 Ca 0.00 -1.59 -0.29 0.00 -2.55 0.00 0.00 55.97 51.54 1n88 s LYS 50 Cb 0.00 -3.15 0.00 0.00 -1.05 0.00 0.00 37.83 33.64 1n88 s LYS 50 CO 0.00 -0.78 1.11 0.08 1.55 0.00 0.00 175.35 177.31 1n88 s VAL 51 N 1.06 4.55 -0.60 4.02 1.01 -1.26 -2.92 120.40 126.26 1n88 s VAL 51 Ca 0.01 1.87 0.09 0.00 0.00 0.00 0.00 61.98 63.95 1n88 s VAL 51 Cb -0.20 -4.23 0.26 0.00 0.00 0.00 0.00 36.38 32.20 1n88 s VAL 51 CO -0.05 -0.20 1.21 0.55 0.00 0.00 0.00 175.10 176.61 1n88 n VAL 52 N 5.40 1.17 0.00 2.92 3.14 0.25 -4.88 118.33 126.33 1n88 n VAL 52 Ca 0.13 -1.14 0.00 0.00 -2.96 0.00 0.00 64.34 60.37 1n88 n VAL 52 Cb 0.46 0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.63 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N 0.10 0.00 -4.02 1.45 5.02 -1.14 -4.86 118.16 114.71 1n88 n LYS 53 Ca 0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 1n88 n LYS 53 Cb 0.44 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.29 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 1.70 -0.21 -0.18 1.01 -1.25 0.21 120.40 121.67 1n88 s VAL 54 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1n88 s VAL 54 Cb 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1n88 s VAL 54 CO 0.00 0.29 -0.16 0.20 0.00 0.00 0.00 175.10 175.44 1n88 s ASN 55 N 1.40 3.70 0.12 3.32 -0.87 0.72 -4.87 114.94 118.46 1n88 s ASN 55 Ca 0.01 -0.95 0.09 0.00 -1.57 0.00 0.00 52.86 50.44 1n88 s ASN 55 Cb -0.15 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 1n88 s ASN 55 CO -0.09 -0.08 -0.20 0.28 -2.57 0.00 0.00 177.10 174.44 1n88 s THR 56 N 1.22 2.71 -0.02 1.60 -1.32 -1.26 0.27 115.64 118.84 1n88 s THR 56 Ca -0.01 -1.58 -0.13 0.00 -1.21 0.00 0.00 61.69 58.77 1n88 s THR 56 Cb -0.16 -2.24 0.02 0.00 -1.51 0.00 0.00 72.50 68.61 1n88 s THR 56 CO -0.09 0.09 0.27 -1.48 -2.21 0.00 0.00 174.62 171.19 1n88 s LEU 57 N -2.15 1.00 0.09 9.08 2.34 0.11 -4.91 118.68 124.23 1n88 s LEU 57 Ca 0.17 0.07 -0.31 0.00 0.06 0.00 0.00 54.13 54.13 1n88 s LEU 57 Cb -0.10 1.12 -0.08 0.00 -0.56 0.00 0.00 46.19 46.56 1n88 s LEU 57 CO 0.09 -0.40 1.53 -1.00 -1.06 0.00 0.00 176.35 175.52 1n88 s HIS 58 N -1.20 2.83 -0.03 3.48 3.76 -1.26 -0.25 115.29 122.62 1n88 s HIS 58 Ca -0.13 0.62 0.07 0.00 -0.15 0.00 0.00 55.06 55.47 1n88 s HIS 58 Cb -0.05 -3.84 -0.02 0.00 1.11 0.00 0.00 32.58 29.78 1n88 s HIS 58 CO 0.03 -3.19 -0.25 0.14 -0.85 0.00 0.00 174.74 170.62 1n88 s VAL 59 N 1.91 2.01 -0.06 -0.90 -7.23 0.76 -4.87 120.40 112.03 1n88 s VAL 59 Ca 0.69 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 59.48 1n88 s VAL 59 Cb -0.39 -1.68 0.07 0.00 0.56 0.00 0.00 36.38 34.95 1n88 s VAL 59 CO 0.31 0.56 0.68 0.00 -0.31 0.00 0.00 175.10 176.34 1n88 s ARG 60 N -0.43 1.05 0.00 4.82 3.03 -1.26 -2.68 118.95 123.48 1n88 s ARG 60 Ca 0.05 0.27 0.00 0.00 2.03 0.00 0.00 55.73 58.08 1n88 s ARG 60 Cb -0.11 0.50 0.00 0.00 -1.03 0.00 0.00 34.95 34.30 1n88 s ARG 60 CO 0.01 -0.32 0.00 0.41 -1.13 0.00 0.00 175.30 174.26 1n88 n GLY 61 N 0.95 0.69 1.12 3.88 0.00 -1.26 -4.85 105.19 105.72 1n88 n GLY 61 Ca -0.19 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.52 0.00 -3.53 1.61 5.02 -1.26 -5.09 118.16 116.42 1n88 n LYS 62 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1n88 n LYS 62 Cb 0.00 -0.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.84 1n88 n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1n88 s LYS 63 N -1.31 1.17 -0.40 1.97 -2.85 -1.26 -5.03 119.74 112.03 1n88 s LYS 63 Ca 0.00 -0.58 -0.21 0.00 -1.00 0.00 0.00 55.97 54.17 1n88 s LYS 63 Cb 0.00 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.33 1n88 s LYS 63 CO 0.00 -0.49 0.54 1.63 0.10 0.00 0.00 175.35 177.13 1n88 n LYS 64 N -0.29 -2.25 0.00 1.78 5.02 -1.26 -4.99 118.16 116.17 1n88 n LYS 64 Ca -0.17 1.91 0.00 0.00 -2.02 0.00 0.00 58.31 58.03 1n88 n LYS 64 Cb 0.64 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.36 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 65 N -0.09 0.00 -3.29 1.97 1.74 -1.26 -4.79 116.66 110.94 1n88 n ARG 65 Ca 0.04 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.91 1n88 n ARG 65 Cb 0.49 -0.18 0.02 0.00 -1.02 0.00 0.00 32.46 31.77 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n88 n LEU 66 N -0.27 -3.76 -2.92 0.55 4.32 -1.26 -4.02 117.00 109.64 1n88 n LEU 66 Ca 0.00 0.21 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 1n88 n LEU 66 Cb 0.00 -1.88 -0.02 0.00 -1.62 0.00 0.00 43.42 39.90 1n88 n LEU 66 CO 0.00 -0.93 1.57 0.61 -1.22 0.00 0.00 177.39 177.41 1n88 n GLY 67 N 0.37 2.30 0.15 -0.72 0.00 -1.26 -3.82 105.19 102.21 1n88 n GLY 67 Ca -0.03 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 4.13 1.17 -2.72 1.61 1.74 -1.26 -4.75 116.66 116.58 1n88 n ARG 68 Ca 0.23 -2.03 -0.08 0.00 -0.77 0.00 0.00 57.85 55.20 1n88 n ARG 68 Cb 0.13 -1.19 0.10 0.00 -1.02 0.00 0.00 32.46 30.48 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n88 n TYR 69 N -0.96 -2.20 -4.48 -1.55 9.36 -1.25 -4.97 117.16 111.11 1n88 n TYR 69 Ca 0.10 -2.09 -0.41 0.00 3.32 0.00 0.00 57.90 58.81 1n88 n TYR 69 Cb 0.60 1.40 -0.07 0.00 -0.63 0.00 0.00 39.34 40.63 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 -0.31 -0.99 0.00 2.98 0.00 -1.26 -4.83 117.00 112.59 1n88 n LEU 70 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 56.01 54.81 1n88 n LEU 70 Cb 0.81 -1.68 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1n88 n LEU 70 CO -0.02 0.15 0.00 0.61 0.00 0.00 0.00 177.39 178.13 1n88 n GLY 71 N -1.18 0.05 7.00 -3.96 0.00 -1.26 -5.03 105.19 100.81 1n88 n GLY 71 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1n88 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n88 n LYS 72 N 0.00 0.00 -2.19 1.61 2.85 -1.26 -4.06 118.16 115.11 1n88 n LYS 72 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1n88 n LYS 72 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1n88 s ARG 73 N 0.00 3.73 0.00 -1.58 0.52 -1.26 -4.67 118.95 115.69 1n88 s ARG 73 Ca 0.00 1.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1n88 s ARG 73 Cb 0.00 -4.02 0.00 0.00 0.52 0.00 0.00 34.95 31.45 1n88 s ARG 73 CO 0.00 -1.37 0.00 -0.35 0.02 0.00 0.00 175.30 173.60 1n88 n PRO 74 N 7.74 -0.53 -3.85 3.54 -0.04 -1.26 -4.89 135.00 135.72 1n88 n PRO 74 Ca 0.18 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.32 1n88 n PRO 74 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 1n88 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n88 s ASP 75 N -1.33 4.75 0.12 3.54 2.15 -1.26 -4.62 116.67 120.02 1n88 s ASP 75 Ca 0.00 -3.05 0.10 0.00 0.43 0.00 0.00 52.55 50.03 1n88 s ASP 75 Cb 0.00 -1.73 -0.04 0.00 -0.30 0.00 0.00 42.92 40.85 1n88 s ASP 75 CO 0.00 -0.27 -0.25 -0.60 -0.17 0.00 0.00 175.17 173.88 1n88 s ARG 76 N -0.34 1.33 -0.12 4.34 6.06 -1.09 -4.83 118.95 124.30 1n88 s ARG 76 Ca 0.18 -1.31 0.02 0.00 -2.50 0.00 0.00 55.73 52.13 1n88 s ARG 76 Cb -0.22 -1.76 0.01 0.00 0.06 0.00 0.00 34.95 33.05 1n88 s ARG 76 CO -0.03 0.41 -0.18 0.21 -2.50 0.00 0.00 175.30 173.21 1n88 s LYS 77 N -2.04 2.53 0.09 5.12 2.20 -1.15 0.27 119.74 126.76 1n88 s LYS 77 Ca 0.12 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 1n88 s LYS 77 Cb -0.10 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1n88 s LYS 77 CO 0.06 -0.02 0.19 -1.59 -0.36 0.00 0.00 175.35 173.62 1n88 s LYS 78 N 0.86 3.27 -0.13 4.03 -2.85 0.66 0.50 119.74 126.07 1n88 s LYS 78 Ca -0.08 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 1n88 s LYS 78 Cb -0.15 -2.92 0.02 0.00 -2.06 0.00 0.00 37.83 32.72 1n88 s LYS 78 CO -0.01 0.57 -0.11 0.00 0.10 0.00 0.00 175.35 175.90 1n88 s ALA 79 N -1.55 1.61 -0.38 0.59 0.00 0.32 0.04 121.76 122.38 1n88 s ALA 79 Ca 0.33 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1n88 s ALA 79 Cb -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1n88 s ALA 79 CO 0.26 -0.38 0.43 0.42 0.00 0.00 0.00 175.76 176.49 1n88 s ILE 80 N 1.56 5.09 -0.16 0.00 1.09 0.76 0.27 121.20 129.81 1n88 s ILE 80 Ca 0.04 -0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.49 1n88 s ILE 80 Cb -0.13 -3.96 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1n88 s ILE 80 CO -0.09 -0.29 -0.10 -0.69 -0.10 0.00 0.00 174.94 173.67 1n88 s VAL 81 N 2.17 3.20 0.09 2.92 1.01 0.42 0.26 120.40 130.48 1n88 s VAL 81 Ca 0.13 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1n88 s VAL 81 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1n88 s VAL 81 CO 0.13 0.49 0.18 -1.58 0.00 0.00 0.00 175.10 174.32 1n88 s GLN 82 N 0.75 3.22 0.23 2.72 2.00 0.56 0.26 119.66 129.40 1n88 s GLN 82 Ca -0.04 -0.59 0.11 0.00 -2.00 0.00 0.00 55.36 52.85 1n88 s GLN 82 Cb -0.15 -2.89 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 1n88 s GLN 82 CO 0.02 0.57 -0.19 0.14 -0.50 0.00 0.00 175.29 175.32 1n88 s VAL 83 N -1.54 2.59 1.24 1.34 -7.23 -0.96 0.87 120.40 116.71 1n88 s VAL 83 Ca 0.33 -2.13 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1n88 s VAL 83 Cb -0.12 -2.30 0.30 0.00 0.56 0.00 0.00 36.38 34.82 1n88 s VAL 83 CO 0.26 -0.25 1.10 0.00 -0.31 0.00 0.00 175.10 175.90 1n88 s ALA 84 N -2.07 0.50 0.30 1.32 0.00 -1.15 -4.77 121.76 115.90 1n88 s ALA 84 Ca 0.26 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1n88 s ALA 84 Cb -0.07 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 1n88 s ALA 84 CO 0.13 -3.73 1.12 -1.25 0.00 0.00 0.00 175.76 172.03 1n88 s PRO 85 N -5.44 4.53 0.00 0.00 0.04 -1.26 -3.49 135.00 129.37 1n88 s PRO 85 Ca 0.71 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1n88 s PRO 85 Cb -0.09 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1n88 s PRO 85 CO 0.56 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.11 1n88 n GLY 86 N 1.03 2.12 3.85 0.56 0.00 -1.26 -5.06 105.19 106.44 1n88 n GLY 86 Ca -0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N 0.00 2.34 0.00 1.61 0.00 -1.23 -5.13 119.66 117.26 1n88 s GLN 87 Ca 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 55.36 53.55 1n88 s GLN 87 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 33.01 30.85 1n88 s GLN 87 CO 0.00 -0.34 0.00 0.36 0.00 0.00 0.00 175.29 175.31 1n88 n LYS 88 N -1.55 0.00 -1.48 9.60 2.85 -1.26 -4.87 118.16 121.44 1n88 n LYS 88 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.01 1n88 n LYS 88 Cb 0.63 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.92 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 0.66 0.14 0.58 5.41 -1.26 -4.67 119.36 120.21 1n88 n ILE 89 Ca 0.00 -0.66 0.07 0.00 1.00 0.00 0.00 62.75 63.16 1n88 n ILE 89 Cb 0.00 -2.07 0.35 0.00 -0.71 0.00 0.00 39.64 37.21 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 8.05 0.09 0.30 0.38 0.00 -1.26 -2.08 120.64 126.12 1n88 n GLU 90 Ca 0.44 0.55 0.17 0.00 0.00 0.00 0.00 57.16 58.32 1n88 n GLU 90 Cb 0.45 -2.00 0.87 0.00 0.00 0.00 0.00 31.44 30.77 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 1.38 1.40 0.00 -1.84 0.00 -2.03 -1.34 119.26 116.83 1n88 h ALA 91 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1n88 h ALA 91 CO 0.00 -0.32 -1.77 1.28 0.00 0.00 0.00 179.25 178.45 1n88 n LEU 92 N -3.07 0.00 0.08 0.00 4.77 -0.89 -4.15 117.00 113.75 1n88 n LEU 92 Ca -0.01 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.17 1n88 n LEU 92 Cb 0.36 0.14 0.75 0.00 -2.33 0.00 0.00 43.42 42.33 1n88 n LEU 92 CO 0.17 0.14 1.18 -0.33 -1.33 0.00 0.00 177.39 177.21 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 3.07 -1.38 0.21 114.58 119.71 1n88 h GLU 93 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1n88 h GLU 93 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1n88 h GLU 93 CO 0.01 0.00 -1.53 0.41 -1.40 0.00 0.00 179.01 176.50 1n88 n GLY 94 N -1.51 -1.02 0.40 -3.84 0.00 -1.22 -4.27 105.19 93.73 1n88 n GLY 94 Ca 0.07 -0.54 0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 0.16 0.00 0.99 4.07 -0.74 -3.53 115.31 116.26 1n88 h LEU 95 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1n88 h LEU 95 Cb 0.79 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1n88 h LEU 95 CO 0.00 0.08 0.00 -0.38 -1.08 0.00 0.00 178.44 177.06