#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1u s LYS 2 N 0.00 2.50 -0.04 1.64 2.47 -1.26 -0.98 119.74 124.07 1x1u s LYS 2 Ca 0.00 -0.68 0.04 0.00 -1.56 0.00 0.00 55.97 53.76 1x1u s LYS 2 Cb 0.00 -1.97 -0.00 0.00 -1.46 0.00 0.00 37.83 34.40 1x1u s LYS 2 CO 0.00 0.08 -0.14 0.00 0.16 0.00 0.00 175.35 175.45 1x1u s ALA 3 N 0.57 1.27 -0.03 3.13 0.00 0.48 -4.88 121.76 122.30 1x1u s ALA 3 Ca -0.15 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1x1u s ALA 3 Cb -0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1x1u s ALA 3 CO 0.05 0.22 -0.20 0.08 0.00 0.00 0.00 175.76 175.91 1x1u s VAL 4 N 0.10 1.64 -0.13 0.00 1.01 -1.26 -0.27 120.40 121.50 1x1u s VAL 4 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1x1u s VAL 4 Cb -0.10 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1x1u s VAL 4 CO 0.01 0.47 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1x1u s ILE 5 N -0.22 1.37 -0.71 2.22 1.01 -0.24 -4.94 121.20 119.69 1x1u s ILE 5 Ca 0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1x1u s ILE 5 Cb -0.10 -1.30 0.17 0.00 0.01 0.00 0.00 42.46 41.24 1x1u s ILE 5 CO 0.01 0.42 0.69 0.20 0.00 0.00 0.00 174.94 176.26 1x1u s ASN 6 N 1.40 6.51 0.26 3.58 -0.87 -1.26 -0.23 114.94 124.34 1x1u s ASN 6 Ca 0.01 -2.25 -0.07 0.00 -1.57 0.00 0.00 52.86 48.99 1x1u s ASN 6 Cb -0.13 -2.23 0.46 0.00 -0.02 0.00 0.00 41.25 39.33 1x1u s ASN 6 CO -0.07 -0.74 1.59 1.23 -2.57 0.00 0.00 177.10 176.54 1x1u h GLY 7 N 8.48 0.78 1.77 0.66 0.00 -0.19 0.59 103.07 115.15 1x1u h GLY 7 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1x1u h GLY 7 CO 0.90 -0.36 0.10 1.05 0.00 0.00 0.00 176.54 178.24 1x1u h GLU 8 N 0.02 0.00 -0.01 4.80 9.09 -1.78 -0.17 114.58 126.54 1x1u h GLU 8 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1x1u h GLU 8 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 1x1u h GLU 8 CO -0.85 0.00 -0.35 1.04 0.05 0.00 0.00 179.01 178.90 1x1u n GLN 9 N -2.67 1.14 -2.85 1.06 6.02 0.20 -4.86 117.38 115.41 1x1u n GLN 9 Ca -0.02 -0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 55.70 1x1u n GLN 9 Cb 0.15 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1x1u n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x1u s ILE 10 N -2.44 4.65 -0.15 5.09 -1.09 -0.08 -4.89 121.20 122.29 1x1u s ILE 10 Ca 0.22 1.14 0.19 0.00 -2.23 0.00 0.00 60.65 59.97 1x1u s ILE 10 Cb 0.19 -4.28 -0.28 0.00 -1.58 0.00 0.00 42.46 36.51 1x1u s ILE 10 CO 0.53 -0.47 0.47 0.54 -1.23 0.00 0.00 174.94 174.78 1x1u n ARG 11 N 6.61 0.63 -4.00 2.79 5.12 -1.26 -4.68 116.66 121.86 1x1u n ARG 11 Ca 0.06 -0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 55.74 1x1u n ARG 11 Cb 0.48 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 30.29 1x1u n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1x1u s SER 12 N -3.96 -0.09 0.53 0.55 1.04 -1.23 -4.70 113.70 105.83 1x1u s SER 12 Ca -0.05 -0.94 0.27 0.00 0.48 0.00 0.00 55.95 55.71 1x1u s SER 12 Cb 0.12 0.58 1.48 0.00 0.10 0.00 0.00 66.02 68.31 1x1u s SER 12 CO 0.78 -1.14 2.10 -0.29 0.98 0.00 0.00 173.24 175.67 1x1u h ILE 13 N 2.26 0.60 0.05 -1.02 6.09 -1.87 -2.26 117.51 121.35 1x1u h ILE 13 Ca -0.26 -0.45 -0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1x1u h ILE 13 Cb 1.25 1.29 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1x1u h ILE 13 CO 0.36 0.10 -0.02 -1.28 -3.07 0.00 0.00 178.15 174.24 1x1u h SER 14 N 0.00 -0.05 -1.00 2.19 0.87 -1.95 -2.65 113.55 110.95 1x1u h SER 14 Ca -0.00 -0.46 0.18 0.00 -1.23 0.00 0.00 61.79 60.28 1x1u h SER 14 Cb 0.28 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.15 1x1u h SER 14 CO 0.01 0.44 0.62 0.44 -0.53 0.00 0.00 176.83 177.81 1x1u h ASP 15 N -0.56 0.80 0.22 6.23 3.45 -1.81 -0.92 116.42 123.83 1x1u h ASP 15 Ca -0.01 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 1x1u h ASP 15 Cb 0.50 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1x1u h ASP 15 CO 0.01 0.31 -0.10 0.25 -1.57 0.00 0.00 179.24 178.14 1x1u h LEU 16 N 0.80 -0.25 -0.99 1.55 5.85 -1.44 0.15 115.31 120.97 1x1u h LEU 16 Ca 0.56 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 1x1u h LEU 16 Cb 0.84 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1x1u h LEU 16 CO -0.35 0.03 0.27 0.45 -0.34 0.00 0.00 178.44 178.50 1x1u h HIS 17 N -0.54 1.01 -0.08 1.25 3.86 -1.07 0.30 115.15 119.89 1x1u h HIS 17 Ca -0.03 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 1x1u h HIS 17 Cb 0.40 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1x1u h HIS 17 CO 0.01 0.77 -0.55 1.96 0.86 0.00 0.00 177.93 180.98 1x1u h GLN 18 N 0.98 0.25 -0.30 2.45 4.20 -1.15 0.22 115.11 121.75 1x1u h GLN 18 Ca 0.23 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1x1u h GLN 18 Cb 0.19 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1x1u h GLN 18 CO -0.02 0.74 -0.33 1.15 -0.67 0.00 0.00 178.83 179.70 1x1u h THR 19 N 0.19 1.28 -0.12 -0.54 2.02 -0.04 -2.58 112.91 113.12 1x1u h THR 19 Ca 0.00 -1.46 -0.16 0.00 0.77 0.00 0.00 66.41 65.57 1x1u h THR 19 Cb 1.03 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1x1u h THR 19 CO 0.09 0.47 -0.59 -0.07 0.37 0.00 0.00 175.52 175.79 1x1u h LEU 20 N 0.55 0.45 -0.81 2.58 3.38 -0.53 -0.38 115.31 120.55 1x1u h LEU 20 Ca 0.06 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1x1u h LEU 20 Cb 0.83 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1x1u h LEU 20 CO 0.07 0.94 0.52 0.50 0.09 0.00 0.00 178.44 180.56 1x1u h LYS 21 N 0.30 1.00 0.00 1.13 3.64 -0.32 -0.42 116.57 121.91 1x1u h LYS 21 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1x1u h LYS 21 Cb 1.11 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1x1u h LYS 21 CO 0.10 0.66 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.68 1x1u h LYS 22 N 1.03 0.03 0.00 1.90 1.63 -1.35 -0.79 116.57 119.03 1x1u h LYS 22 Ca 0.32 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1x1u h LYS 22 Cb -0.02 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1x1u h LYS 22 CO -0.10 0.87 -0.10 0.93 -3.45 0.00 0.00 179.45 177.60 1x1u h GLU 23 N -0.81 0.00 -0.25 1.90 4.39 -0.98 -2.80 114.58 116.03 1x1u h GLU 23 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x1u h GLU 23 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1x1u h GLU 23 CO 0.01 0.10 0.00 1.28 -1.16 0.00 0.00 179.01 179.24 1x1u n LEU 24 N -4.16 2.72 -3.70 1.33 4.77 -0.17 -4.48 117.00 113.31 1x1u n LEU 24 Ca -0.03 -1.56 -0.24 0.00 -0.03 0.00 0.00 56.01 54.15 1x1u n LEU 24 Cb 0.19 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1x1u n LEU 24 CO 0.33 0.62 -0.09 0.00 -1.33 0.00 0.00 177.39 176.92 1x1u n ALA 25 N 0.78 -2.18 -1.64 -1.18 0.00 -1.00 -4.80 120.51 110.49 1x1u n ALA 25 Ca 0.12 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1x1u n ALA 25 Cb 0.42 -2.68 0.05 0.00 0.00 0.00 0.00 19.45 17.24 1x1u n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1u s LEU 26 N -6.57 3.06 0.58 0.00 1.43 -0.34 -4.95 118.68 111.90 1x1u s LEU 26 Ca 0.15 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.56 1x1u s LEU 26 Cb -0.04 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1x1u s LEU 26 CO 0.83 -1.40 1.29 -2.16 0.23 0.00 0.00 176.35 175.13 1x1u s PRO 27 N -5.10 2.96 0.44 1.29 0.04 -1.26 -4.89 135.00 128.47 1x1u s PRO 27 Ca 0.58 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.85 1x1u s PRO 27 Cb -0.13 -2.06 1.11 0.00 0.04 0.00 0.00 34.50 33.45 1x1u s PRO 27 CO 0.55 -1.28 1.91 0.93 0.04 0.00 0.00 177.00 179.14 1x1u h GLU 28 N 1.08 0.35 0.00 4.56 4.39 -1.98 0.16 114.58 123.15 1x1u h GLU 28 Ca -0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1x1u h GLU 28 Cb 1.31 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1x1u h GLU 28 CO 0.56 0.23 0.00 2.48 -1.16 0.00 0.00 179.01 181.12 1x1u n TYR 29 N -4.47 0.00 -1.01 4.33 4.11 -1.26 -4.92 117.16 113.94 1x1u n TYR 29 Ca 0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.66 1x1u n TYR 29 Cb 0.60 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.34 39.75 1x1u n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1x1u n TYR 30 N -1.13 0.82 0.79 -3.48 9.36 0.57 -4.78 117.16 119.31 1x1u n TYR 30 Ca 0.17 0.68 0.09 0.00 3.32 0.00 0.00 57.90 62.15 1x1u n TYR 30 Cb 0.15 -1.33 0.43 0.00 -0.63 0.00 0.00 39.34 37.96 1x1u n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1u n GLY 31 N 1.87 -0.92 3.90 2.98 0.00 -1.26 -4.92 105.19 106.85 1x1u n GLY 31 Ca 0.16 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1x1u n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x1u n GLU 32 N -1.33 -1.39 -3.85 1.61 1.02 -1.26 -4.94 120.64 110.49 1x1u n GLU 32 Ca 0.08 0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 57.45 1x1u n GLU 32 Cb 0.15 -3.73 -0.03 0.00 -0.02 0.00 0.00 31.44 27.81 1x1u n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1u s ASN 33 N -3.76 -0.24 0.23 1.62 2.20 -1.26 -5.02 114.94 108.71 1x1u s ASN 33 Ca 0.34 -0.63 -0.07 0.00 -0.94 0.00 0.00 52.86 51.56 1x1u s ASN 33 Cb -0.15 0.68 0.27 0.00 -2.00 0.00 0.00 41.25 40.05 1x1u s ASN 33 CO 0.91 -1.26 1.87 -0.07 -2.94 0.00 0.00 177.10 175.62 1x1u h LEU 34 N 2.07 0.90 -0.43 3.54 3.38 -1.97 -1.23 115.31 121.56 1x1u h LEU 34 Ca -0.22 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1x1u h LEU 34 Cb 1.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1x1u h LEU 34 CO 0.28 0.61 -0.05 0.44 0.09 0.00 0.00 178.44 179.81 1x1u h ASP 35 N 1.05 0.80 -0.54 -0.43 3.32 -1.98 -1.59 116.42 117.04 1x1u h ASP 35 Ca 0.35 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1x1u h ASP 35 Cb 0.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1x1u h ASP 35 CO -0.13 0.94 0.18 0.00 -1.72 0.00 0.00 179.24 178.52 1x1u h ALA 36 N 0.88 1.22 -0.30 3.45 0.00 -1.86 -1.42 119.26 121.23 1x1u h ALA 36 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1x1u h ALA 36 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x1u h ALA 36 CO 0.03 0.55 0.07 1.25 0.00 0.00 0.00 179.25 181.15 1x1u h LEU 37 N 0.86 0.45 -0.28 0.00 5.85 -1.03 -0.56 115.31 120.59 1x1u h LEU 37 Ca 0.19 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1x1u h LEU 37 Cb 0.25 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1x1u h LEU 37 CO -0.01 0.57 0.17 -0.25 -0.34 0.00 0.00 178.44 178.59 1x1u h TRP 38 N 0.31 0.33 -0.35 1.25 2.91 -0.95 0.15 115.95 119.60 1x1u h TRP 38 Ca 0.09 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 1x1u h TRP 38 Cb 0.30 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 1x1u h TRP 38 CO 0.02 0.20 0.09 0.22 -1.03 0.00 0.00 178.44 177.93 1x1u h ASP 39 N 0.36 0.47 -0.10 2.65 3.58 -1.17 -1.63 116.42 120.56 1x1u h ASP 39 Ca 0.11 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.27 1x1u h ASP 39 Cb -0.02 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 40.93 1x1u h ASP 39 CO -0.04 0.47 -0.84 0.00 -2.88 0.00 0.00 179.24 175.95 1x1u h ALA 40 N 1.60 0.24 0.00 -0.78 0.00 -0.53 -0.87 119.26 118.92 1x1u h ALA 40 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1x1u h ALA 40 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x1u h ALA 40 CO -0.00 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 1x1u h LEU 41 N 0.47 0.00 -2.58 0.00 3.38 -0.23 0.13 115.31 116.49 1x1u h LEU 41 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x1u h LEU 41 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1x1u h LEU 41 CO 0.17 0.00 -0.02 0.35 0.09 0.00 0.00 178.44 179.03 1x1u n THR 42 N -2.70 0.87 -1.98 0.22 -2.24 -0.66 -4.72 114.28 103.07 1x1u n THR 42 Ca 0.01 -0.91 -0.02 0.00 -2.27 0.00 0.00 64.05 60.86 1x1u n THR 42 Cb 0.26 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 1x1u n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1u n GLY 43 N -0.49 0.84 2.20 3.38 0.00 -0.34 -5.02 105.19 105.77 1x1u n GLY 43 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x1u n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1u n TRP 44 N 0.00 -4.42 -1.28 1.61 -0.00 -1.01 -4.90 117.44 107.44 1x1u n TRP 44 Ca -0.07 1.43 -0.37 0.00 -0.00 0.00 0.00 57.50 58.50 1x1u n TRP 44 Cb 0.54 3.55 0.06 0.00 -0.00 0.00 0.00 31.31 35.46 1x1u n TRP 44 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 1x1u n VAL 45 N -3.39 1.66 -3.74 5.87 3.14 0.43 -4.99 118.33 117.31 1x1u n VAL 45 Ca 0.00 -0.42 -0.35 0.00 -2.96 0.00 0.00 64.34 60.61 1x1u n VAL 45 Cb 0.00 -0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 32.07 1x1u n VAL 45 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1x1u s GLU 46 N -2.53 3.60 0.30 1.45 2.12 -1.26 -4.95 118.70 117.43 1x1u s GLU 46 Ca 0.64 -0.04 0.11 0.00 0.36 0.00 0.00 54.97 56.05 1x1u s GLU 46 Cb -0.36 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1x1u s GLU 46 CO 0.59 0.66 -0.14 0.71 -0.54 0.00 0.00 175.26 176.53 1x1u s TYR 47 N -1.27 2.37 0.62 5.30 2.02 -1.26 -4.31 117.35 120.82 1x1u s TYR 47 Ca 0.27 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.43 1x1u s TYR 47 Cb -0.13 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1x1u s TYR 47 CO 0.15 0.66 1.11 -2.14 -1.57 0.00 0.00 175.55 173.76 1x1u s PRO 48 N -3.57 3.02 -0.02 -1.71 0.02 -1.26 -5.01 135.00 126.47 1x1u s PRO 48 Ca 0.31 1.44 0.07 0.00 0.02 0.00 0.00 61.00 62.84 1x1u s PRO 48 Cb -0.03 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1x1u s PRO 48 CO 0.16 -1.09 -0.24 -1.17 -0.33 0.00 0.00 177.00 174.34 1x1u s LEU 49 N -4.51 2.04 -0.19 -5.54 2.96 0.07 -4.42 118.68 109.09 1x1u s LEU 49 Ca 0.68 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1x1u s LEU 49 Cb -0.21 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.30 1x1u s LEU 49 CO 0.37 0.28 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.89 1x1u s VAL 50 N -0.51 1.59 -0.26 1.68 1.01 -0.15 0.04 120.40 123.80 1x1u s VAL 50 Ca 0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1x1u s VAL 50 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1x1u s VAL 50 CO -0.01 0.19 0.06 -0.22 0.00 0.00 0.00 175.10 175.12 1x1u s LEU 51 N 1.42 3.45 -0.44 3.92 0.20 0.13 -0.39 118.68 126.98 1x1u s LEU 51 Ca -0.01 -0.34 -0.08 0.00 0.69 0.00 0.00 54.13 54.39 1x1u s LEU 51 Cb -0.16 -1.89 0.10 0.00 -0.43 0.00 0.00 46.19 43.82 1x1u s LEU 51 CO -0.08 -0.07 0.29 -0.70 -0.29 0.00 0.00 176.35 175.50 1x1u s GLU 52 N 1.57 2.46 -0.52 1.98 2.12 0.63 0.01 118.70 126.96 1x1u s GLU 52 Ca 0.06 -1.65 -0.17 0.00 0.36 0.00 0.00 54.97 53.56 1x1u s GLU 52 Cb -0.15 -3.81 0.09 0.00 0.26 0.00 0.00 34.13 30.51 1x1u s GLU 52 CO 0.02 -1.08 0.53 -0.46 -0.54 0.00 0.00 175.26 173.74 1x1u s TRP 53 N 1.35 3.15 0.23 5.30 -0.11 0.34 -1.08 118.94 128.11 1x1u s TRP 53 Ca 0.05 -0.91 -0.09 0.00 1.22 0.00 0.00 56.10 56.37 1x1u s TRP 53 Cb -0.24 -3.55 -0.07 0.00 -1.50 0.00 0.00 33.47 28.10 1x1u s TRP 53 CO -0.00 -1.00 0.53 1.03 -4.62 0.00 0.00 176.95 172.89 1x1u s ARG 54 N 2.08 3.76 -1.41 5.86 0.52 0.69 -1.51 118.95 128.95 1x1u s ARG 54 Ca 0.08 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.47 1x1u s ARG 54 Cb -0.24 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.58 1x1u s ARG 54 CO 0.07 0.32 0.59 1.04 0.02 0.00 0.00 175.30 177.34 1x1u n GLN 55 N -0.18 -4.00 0.01 3.54 1.13 -1.13 0.42 117.38 117.17 1x1u n GLN 55 Ca -0.00 0.49 -0.10 0.00 -1.94 0.00 0.00 57.00 55.45 1x1u n GLN 55 Cb 0.52 -4.86 -0.03 0.00 0.11 0.00 0.00 30.24 25.98 1x1u n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1u h PHE 56 N -1.84 -0.52 -0.49 1.08 3.57 -1.84 -2.14 116.94 114.75 1x1u h PHE 56 Ca -0.62 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.01 1x1u h PHE 56 Cb 1.37 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 40.26 1x1u h PHE 56 CO 0.50 -0.28 -0.13 0.93 -2.23 0.00 0.00 178.31 177.10 1x1u h GLU 57 N -0.27 -0.01 -0.66 1.11 4.39 -1.96 0.35 114.58 117.54 1x1u h GLU 57 Ca 0.09 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.84 1x1u h GLU 57 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1x1u h GLU 57 CO -0.26 -0.01 0.37 1.96 -1.16 0.00 0.00 179.01 179.92 1x1u h GLN 58 N -0.01 0.68 0.00 2.33 4.20 -1.80 -0.70 115.11 119.81 1x1u h GLN 58 Ca 0.24 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 1x1u h GLN 58 Cb 0.37 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1x1u h GLN 58 CO -0.51 0.45 -0.20 0.66 -0.67 0.00 0.00 178.83 178.56 1x1u h SER 59 N 0.70 0.00 0.07 1.46 4.64 -0.53 -2.60 113.55 117.29 1x1u h SER 59 Ca 0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 1x1u h SER 59 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1x1u h SER 59 CO -0.16 0.20 -0.39 0.50 -0.87 0.00 0.00 176.83 176.11 1x1u h LYS 60 N 0.00 0.42 0.91 4.77 3.64 0.11 -3.20 116.57 123.23 1x1u h LYS 60 Ca -0.00 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1x1u h LYS 60 Cb 0.70 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1x1u h LYS 60 CO 0.03 0.75 -0.44 1.96 -2.27 0.00 0.00 179.45 179.48 1x1u h GLN 61 N 0.36 -1.17 -0.62 1.90 4.20 -0.99 -2.53 115.11 116.25 1x1u h GLN 61 Ca 0.03 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1x1u h GLN 61 Cb 0.84 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1x1u h GLN 61 CO 0.07 -0.78 0.00 1.28 -0.67 0.00 0.00 178.83 178.73 1x1u n LEU 62 N -5.54 0.62 0.00 1.46 4.77 -1.21 -3.08 117.00 114.02 1x1u n LEU 62 Ca -0.15 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1x1u n LEU 62 Cb 0.48 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1x1u n LEU 62 CO 0.36 0.16 0.03 0.35 -1.33 0.00 0.00 177.39 176.96 1x1u n THR 63 N 0.01 0.00 -2.47 -5.08 -2.24 -1.18 -3.54 114.28 99.78 1x1u n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1x1u n THR 63 Cb 0.16 1.75 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 1x1u n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1u n GLU 64 N 0.00 0.00 -0.03 -0.78 4.71 -0.96 -1.62 120.64 121.96 1x1u n GLU 64 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 1x1u n GLU 64 Cb 0.28 0.00 0.55 0.00 -1.01 0.00 0.00 31.44 31.26 1x1u n GLU 64 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x1u n ASN 65 N 3.94 0.73 0.00 1.62 4.13 -1.26 -4.23 115.26 120.19 1x1u n ASN 65 Ca 0.00 -1.46 -0.09 0.00 1.68 0.00 0.00 54.58 54.71 1x1u n ASN 65 Cb 0.00 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.17 1x1u n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1x1u h GLY 66 N 5.15 -0.07 0.83 7.41 0.00 -1.63 0.59 103.07 115.36 1x1u h GLY 66 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1x1u h GLY 66 CO 0.00 -0.14 0.37 0.00 0.00 0.00 0.00 176.54 176.77 1x1u h ALA 67 N 0.88 0.81 -0.57 3.60 0.00 -1.76 0.99 119.26 123.22 1x1u h ALA 67 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1x1u h ALA 67 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1x1u h ALA 67 CO -0.22 0.10 0.06 1.49 0.00 0.00 0.00 179.25 180.68 1x1u h GLU 68 N 0.73 0.94 -0.15 0.00 4.57 -1.75 0.65 114.58 119.57 1x1u h GLU 68 Ca 0.26 -0.25 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1x1u h GLU 68 Cb 0.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1x1u h GLU 68 CO -0.12 0.90 -0.48 0.66 -1.18 0.00 0.00 179.01 178.79 1x1u h SER 69 N 0.88 0.40 -0.19 1.04 4.64 -0.23 -0.92 113.55 119.17 1x1u h SER 69 Ca 0.17 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1x1u h SER 69 Cb 0.44 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1x1u h SER 69 CO 0.02 0.82 -0.09 0.58 -0.87 0.00 0.00 176.83 177.28 1x1u h VAL 70 N 0.30 1.31 -0.99 0.95 2.07 -0.37 -2.90 116.25 116.61 1x1u h VAL 70 Ca 0.02 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1x1u h VAL 70 Cb 0.96 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 1x1u h VAL 70 CO 0.08 0.35 0.63 0.25 0.02 0.00 0.00 177.57 178.90 1x1u h LEU 71 N 0.10 0.99 -0.63 2.57 5.85 -0.71 -2.31 115.31 121.17 1x1u h LEU 71 Ca 0.04 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1x1u h LEU 71 Cb 0.58 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1x1u h LEU 71 CO 0.03 0.60 0.36 -0.61 -0.34 0.00 0.00 178.44 178.48 1x1u h GLN 72 N 1.11 0.67 -0.80 1.25 5.75 -1.01 -0.94 115.11 121.15 1x1u h GLN 72 Ca 0.45 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1x1u h GLN 72 Cb 0.25 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1x1u h GLN 72 CO -0.20 0.45 0.48 0.28 -2.65 0.00 0.00 178.83 177.19 1x1u h VAL 73 N 0.69 1.22 -0.62 2.39 2.07 -1.23 0.25 116.25 121.04 1x1u h VAL 73 Ca 0.27 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1x1u h VAL 73 Cb 0.10 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1x1u h VAL 73 CO -0.14 0.23 0.26 -0.26 0.02 0.00 0.00 177.57 177.68 1x1u h PHE 74 N 1.09 0.93 -0.45 1.57 0.04 -1.22 -0.07 116.94 118.84 1x1u h PHE 74 Ca 0.29 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 1x1u h PHE 74 Cb -0.04 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 1x1u h PHE 74 CO -0.01 0.73 -0.02 0.00 -0.60 0.00 0.00 178.31 178.41 1x1u h ARG 75 N 0.86 0.75 -0.00 1.51 3.08 -0.41 -1.38 114.38 118.79 1x1u h ARG 75 Ca 0.21 -0.20 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1x1u h ARG 75 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1x1u h ARG 75 CO -0.02 0.78 -0.94 0.93 -1.07 0.00 0.00 179.97 179.64 1x1u h GLU 76 N 0.70 0.45 -0.59 0.04 5.08 -0.74 -1.29 114.58 118.22 1x1u h GLU 76 Ca 0.13 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1x1u h GLU 76 Cb 0.46 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1x1u h GLU 76 CO 0.02 1.13 0.39 0.00 -1.00 0.00 0.00 179.01 179.55 1x1u h ALA 77 N 0.71 0.75 -0.48 3.43 0.00 -0.81 0.63 119.26 123.48 1x1u h ALA 77 Ca -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1x1u h ALA 77 Cb 1.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1x1u h ALA 77 CO 0.17 0.18 0.23 -0.22 0.00 0.00 0.00 179.25 179.60 1x1u h LYS 78 N 0.79 0.69 0.00 0.00 3.64 -1.15 -0.74 116.57 119.79 1x1u h LYS 78 Ca 0.22 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1x1u h LYS 78 Cb -0.09 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1x1u h LYS 78 CO -0.05 0.58 -0.15 0.00 -2.27 0.00 0.00 179.45 177.55 1x1u h ALA 79 N 1.07 1.38 0.00 5.00 0.00 -0.37 -1.45 119.26 124.90 1x1u h ALA 79 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x1u h ALA 79 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x1u h ALA 79 CO -0.02 0.19 0.00 1.49 0.00 0.00 0.00 179.25 180.91 1x1u h GLU 80 N 0.00 0.00 0.00 0.00 4.57 0.17 -3.46 114.58 115.86 1x1u h GLU 80 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x1u h GLU 80 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1x1u h GLU 80 CO 0.02 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.26 1x1u n GLY 81 N 0.18 1.42 3.75 1.92 0.00 -0.54 -5.07 105.19 106.85 1x1u n GLY 81 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1x1u n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1u s ALA 82 N -1.31 3.69 -1.10 4.61 0.00 -0.74 -4.89 121.76 122.03 1x1u s ALA 82 Ca 0.00 1.52 -0.19 0.00 0.00 0.00 0.00 51.96 53.29 1x1u s ALA 82 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.60 1x1u s ALA 82 CO 0.00 -0.94 1.44 0.34 0.00 0.00 0.00 175.76 176.60 1x1u s ASP 83 N 0.33 6.72 -0.06 0.00 3.68 -1.26 -4.30 116.67 121.77 1x1u s ASP 83 Ca 0.60 -2.12 0.05 0.00 2.13 0.00 0.00 52.55 53.22 1x1u s ASP 83 Cb -0.46 -2.50 -0.01 0.00 -1.45 0.00 0.00 42.92 38.50 1x1u s ASP 83 CO 0.50 -1.18 -0.23 -0.63 0.13 0.00 0.00 175.17 173.76 1x1u s ILE 84 N 3.61 1.89 -0.14 4.11 1.01 -1.26 -0.75 121.20 129.67 1x1u s ILE 84 Ca 0.44 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 1x1u s ILE 84 Cb -0.01 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1x1u s ILE 84 CO -0.04 0.53 -0.13 -0.89 0.00 0.00 0.00 174.94 174.42 1x1u s THR 85 N 0.00 3.03 -0.20 2.92 2.01 0.11 -4.95 115.64 118.55 1x1u s THR 85 Ca -0.07 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1x1u s THR 85 Cb -0.14 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1x1u s THR 85 CO 0.04 0.51 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 1x1u s ILE 86 N 0.51 3.03 -0.40 1.82 1.01 -1.26 0.17 121.20 126.09 1x1u s ILE 86 Ca -0.09 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1x1u s ILE 86 Cb -0.16 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.05 1x1u s ILE 86 CO 0.04 0.46 0.21 -0.63 0.00 0.00 0.00 174.94 175.02 1x1u s ILE 87 N 1.31 3.74 -0.49 2.92 1.09 0.10 -4.98 121.20 124.89 1x1u s ILE 87 Ca 0.04 -1.62 -0.20 0.00 -1.10 0.00 0.00 60.65 57.77 1x1u s ILE 87 Cb -0.14 -3.36 0.05 0.00 -1.06 0.00 0.00 42.46 37.94 1x1u s ILE 87 CO -0.05 -0.52 0.66 -0.76 -0.10 0.00 0.00 174.94 174.18 1x1u s LEU 88 N 1.31 4.74 0.00 2.97 1.43 -1.26 -0.51 118.68 127.36 1x1u s LEU 88 Ca 0.04 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1x1u s LEU 88 Cb -0.23 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1x1u s LEU 88 CO -0.01 -0.90 0.32 -1.54 0.23 0.00 0.00 176.35 174.45