#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 2.31 -0.18 1.64 2.36 -1.26 0.55 119.74 125.15 1x1u s LYS 2 Ca 0.00 -1.32 -0.07 0.00 -2.55 0.00 0.00 55.97 52.03 1x1u s LYS 2 Cb 0.00 -2.97 -0.04 0.00 -1.05 0.00 0.00 37.83 33.77 1x1u s LYS 2 CO 0.00 -0.58 0.05 0.00 1.55 0.00 0.00 175.35 176.37 1x1u s ALA 3 N 1.15 3.32 -0.02 3.13 0.00 0.33 -4.96 121.76 124.71 1x1u s ALA 3 Ca -0.08 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1x1u s ALA 3 Cb -0.20 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1x1u s ALA 3 CO -0.04 0.13 -0.22 0.08 0.00 0.00 0.00 175.76 175.71 1x1u s VAL 4 N 0.47 1.75 -0.09 0.00 1.01 -1.26 0.18 120.40 122.46 1x1u s VAL 4 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1x1u s VAL 4 Cb -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1x1u s VAL 4 CO 0.01 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 1x1u s ILE 5 N -0.51 0.92 -0.85 2.22 1.01 0.31 -4.94 121.20 119.35 1x1u s ILE 5 Ca 0.08 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1x1u s ILE 5 Cb -0.09 -0.94 0.19 0.00 0.01 0.00 0.00 42.46 41.64 1x1u s ILE 5 CO -0.01 0.34 0.86 0.20 0.00 0.00 0.00 174.94 176.33 1x1u s ASN 6 N 1.48 6.71 0.50 3.58 -0.87 -1.26 -0.65 114.94 124.43 1x1u s ASN 6 Ca 0.00 -2.49 0.37 0.00 -1.57 0.00 0.00 52.86 49.17 1x1u s ASN 6 Cb -0.13 -2.26 1.52 0.00 -0.02 0.00 0.00 41.25 40.35 1x1u s ASN 6 CO -0.05 -0.72 1.67 1.23 -2.57 0.00 0.00 177.10 176.67 1x1u h GLY 7 N 8.53 0.57 2.00 0.66 0.00 -0.36 0.85 103.07 115.33 1x1u h GLY 7 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1x1u h GLY 7 CO 0.86 -0.15 0.00 -1.84 0.00 0.00 0.00 176.54 175.41 1x1u n GLU 8 N -4.33 0.15 -0.04 4.80 0.00 -1.26 -2.68 120.64 117.28 1x1u n GLU 8 Ca 0.35 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.96 1x1u n GLU 8 Cb 1.50 -1.76 0.25 0.00 0.00 0.00 0.00 31.44 31.43 1x1u n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1x1u n GLN 9 N -2.04 2.14 -3.12 3.44 6.02 0.29 -4.88 117.38 119.23 1x1u n GLN 9 Ca 0.03 -1.67 -0.40 0.00 -0.01 0.00 0.00 57.00 54.95 1x1u n GLN 9 Cb 0.26 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.91 5.01 -0.59 5.09 1.09 -1.09 -4.91 121.20 123.89 1x1u s ILE 10 Ca 0.33 1.15 0.11 0.00 -1.10 0.00 0.00 60.65 61.14 1x1u s ILE 10 Cb 0.20 -3.94 -0.12 0.00 -1.06 0.00 0.00 42.46 37.55 1x1u s ILE 10 CO 0.31 0.08 0.51 0.54 -0.10 0.00 0.00 174.94 176.27 1x1u n ARG 11 N 5.34 3.10 -3.45 2.79 5.12 -1.26 -4.78 116.66 123.52 1x1u n ARG 11 Ca -0.01 -0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.74 1x1u n ARG 11 Cb 0.49 -1.05 -0.02 0.00 -1.16 0.00 0.00 32.46 30.72 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 -2.05 -0.53 0.60 0.55 1.04 -1.25 -4.79 113.70 107.28 1x1u s SER 12 Ca 0.05 -0.04 0.32 0.00 0.48 0.00 0.00 55.95 56.76 1x1u s SER 12 Cb 0.09 0.58 1.91 0.00 0.10 0.00 0.00 66.02 68.70 1x1u s SER 12 CO 0.46 -0.95 2.27 -0.29 0.98 0.00 0.00 173.24 175.71 1x1u h ILE 13 N 2.05 0.45 -0.06 -1.02 6.09 -1.86 -0.93 117.51 122.22 1x1u h ILE 13 Ca -0.34 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.12 1x1u h ILE 13 Cb 1.30 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 1x1u h ILE 13 CO 0.39 0.00 -0.03 -1.28 -3.07 0.00 0.00 178.15 174.16 1x1u h SER 14 N 0.00 0.14 -0.89 2.19 0.87 -1.96 -2.03 113.55 111.88 1x1u h SER 14 Ca -0.00 -0.42 0.09 0.00 -1.23 0.00 0.00 61.79 60.23 1x1u h SER 14 Cb 0.01 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.87 1x1u h SER 14 CO 0.00 0.53 0.57 0.44 -0.53 0.00 0.00 176.83 177.85 1x1u h ASP 15 N -0.26 0.80 -0.02 6.23 3.32 -1.57 -1.78 116.42 123.14 1x1u h ASP 15 Ca 0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1x1u h ASP 15 Cb 0.48 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x1u h ASP 15 CO 0.01 0.47 0.01 0.25 -1.72 0.00 0.00 179.24 178.26 1x1u h LEU 16 N 0.89 0.02 -0.87 1.55 5.85 -1.17 0.26 115.31 121.84 1x1u h LEU 16 Ca 0.41 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 1x1u h LEU 16 Cb 0.40 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1x1u h LEU 16 CO -0.17 0.06 0.14 0.45 -0.34 0.00 0.00 178.44 178.58 1x1u h HIS 17 N -0.02 1.02 -0.21 1.25 3.86 -0.81 -1.67 115.15 118.57 1x1u h HIS 17 Ca 0.01 -0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 58.99 1x1u h HIS 17 Cb 0.05 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1x1u h HIS 17 CO -0.06 0.84 -0.34 1.96 0.86 0.00 0.00 177.93 181.19 1x1u h GLN 18 N 0.93 0.44 -0.54 2.45 4.20 -1.17 -0.59 115.11 120.84 1x1u h GLN 18 Ca 0.20 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1x1u h GLN 18 Cb 0.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1x1u h GLN 18 CO 0.00 0.73 -0.08 1.15 -0.67 0.00 0.00 178.83 179.96 1x1u h THR 19 N 0.38 1.27 -0.38 -0.54 2.02 -0.54 -2.90 112.91 112.22 1x1u h THR 19 Ca 0.04 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 1x1u h THR 19 Cb 0.79 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1x1u h THR 19 CO 0.06 0.43 -0.17 -0.07 0.37 0.00 0.00 175.52 176.15 1x1u h LEU 20 N 0.89 0.80 -0.51 2.58 3.38 -1.01 -1.64 115.31 119.79 1x1u h LEU 20 Ca 0.14 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.82 1x1u h LEU 20 Cb 0.63 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1x1u h LEU 20 CO 0.04 1.02 -0.18 0.50 0.09 0.00 0.00 178.44 179.91 1x1u h LYS 21 N 0.58 -0.06 0.04 1.13 3.64 -0.95 0.36 116.57 121.31 1x1u h LYS 21 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1x1u h LYS 21 Cb 0.71 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1x1u h LYS 21 CO 0.05 -0.04 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.96 1x1u h LYS 22 N -0.06 -0.05 -0.70 1.90 1.63 -1.46 0.81 116.57 118.65 1x1u h LYS 22 Ca 0.24 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.10 1x1u h LYS 22 Cb 0.43 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1x1u h LYS 22 CO -0.56 0.47 0.40 0.93 -3.45 0.00 0.00 179.45 177.24 1x1u h GLU 23 N -0.59 0.72 -0.33 1.90 4.39 -0.91 -1.86 114.58 117.89 1x1u h GLU 23 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1x1u h GLU 23 Cb 0.54 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1x1u h GLU 23 CO 0.01 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 179.62 1x1u n LEU 24 N -4.75 2.15 -3.83 1.33 4.77 0.12 -4.69 117.00 112.10 1x1u n LEU 24 Ca 0.09 -1.01 -0.36 0.00 -0.03 0.00 0.00 56.01 54.70 1x1u n LEU 24 Cb 0.16 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1x1u n LEU 24 CO 0.30 0.50 -0.12 0.00 -1.33 0.00 0.00 177.39 176.74 1x1u n ALA 25 N 0.65 -2.53 -2.09 -1.18 0.00 -0.70 -4.75 120.51 109.91 1x1u n ALA 25 Ca 0.15 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1x1u n ALA 25 Cb 0.37 -3.48 0.02 0.00 0.00 0.00 0.00 19.45 16.36 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 -6.83 3.34 0.71 0.00 1.43 0.23 -4.92 118.68 112.64 1x1u s LEU 26 Ca 0.45 0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 1x1u s LEU 26 Cb -0.19 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.19 1x1u s LEU 26 CO 0.90 -0.89 1.25 -2.16 0.23 0.00 0.00 176.35 175.68 1x1u s PRO 27 N -4.98 2.22 0.46 1.29 0.04 -1.26 -4.89 135.00 127.88 1x1u s PRO 27 Ca 0.52 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.58 1x1u s PRO 27 Cb -0.11 -1.83 1.04 0.00 0.04 0.00 0.00 34.50 33.64 1x1u s PRO 27 CO 0.47 -1.81 2.08 0.93 0.04 0.00 0.00 177.00 178.72 1x1u h GLU 28 N -0.03 0.26 0.00 4.56 5.08 -1.98 -0.84 114.58 121.63 1x1u h GLU 28 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1x1u h GLU 28 Cb 1.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1x1u h GLU 28 CO 0.50 0.20 0.00 2.48 -1.00 0.00 0.00 179.01 181.19 1x1u n TYR 29 N -4.48 0.00 -1.35 4.33 0.18 -1.26 -4.89 117.16 109.69 1x1u n TYR 29 Ca -0.00 0.00 -0.54 0.00 1.88 0.00 0.00 57.90 59.24 1x1u n TYR 29 Cb 0.10 -0.12 -0.08 0.00 -0.38 0.00 0.00 39.34 38.85 1x1u n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1u n TYR 30 N -1.12 1.34 0.43 -3.48 9.36 -0.32 -4.79 117.16 118.58 1x1u n TYR 30 Ca 0.16 0.88 0.07 0.00 3.32 0.00 0.00 57.90 62.33 1x1u n TYR 30 Cb 0.14 -1.82 0.32 0.00 -0.63 0.00 0.00 39.34 37.34 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 3.74 -0.99 3.72 2.98 0.00 -1.26 -4.92 105.19 108.45 1x1u n GLY 31 Ca 0.29 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.64 -5.58 -3.88 1.61 1.02 -1.26 -4.97 120.64 105.94 1x1u n GLU 32 Ca 0.03 0.66 -0.09 0.00 -0.02 0.00 0.00 57.16 57.74 1x1u n GLU 32 Cb 0.16 -5.41 -0.07 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.97 0.05 0.30 1.62 2.20 -1.26 -4.96 114.94 108.91 1x1u s ASN 33 Ca 0.24 -0.72 0.05 0.00 -0.94 0.00 0.00 52.86 51.49 1x1u s ASN 33 Cb -0.12 0.40 0.76 0.00 -2.00 0.00 0.00 41.25 40.29 1x1u s ASN 33 CO 0.80 -0.82 1.72 -0.07 -2.94 0.00 0.00 177.10 175.79 1x1u h LEU 34 N 2.62 0.48 -0.66 3.54 3.38 -1.98 -0.60 115.31 122.10 1x1u h LEU 34 Ca -0.33 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1x1u h LEU 34 Cb 1.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1x1u h LEU 34 CO 0.52 0.07 -0.28 0.44 0.09 0.00 0.00 178.44 179.28 1x1u h ASP 35 N 0.50 0.77 -0.33 -0.43 3.32 -1.99 -1.81 116.42 116.45 1x1u h ASP 35 Ca 0.58 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 1x1u h ASP 35 Cb 1.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1x1u h ASP 35 CO -0.49 1.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.82 1x1u h ALA 36 N 1.05 0.85 0.00 3.45 0.00 -1.59 -2.10 119.26 120.93 1x1u h ALA 36 Ca 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x1u h ALA 36 Cb 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x1u h ALA 36 CO 0.07 0.64 -0.00 1.25 0.00 0.00 0.00 179.25 181.20 1x1u h LEU 37 N 0.71 -0.00 -0.61 0.00 5.85 -0.94 0.02 115.31 120.33 1x1u h LEU 37 Ca 0.10 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1x1u h LEU 37 Cb 0.74 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1x1u h LEU 37 CO 0.06 0.10 0.30 -0.25 -0.34 0.00 0.00 178.44 178.31 1x1u h TRP 38 N -0.11 0.54 -0.45 1.25 2.91 -1.24 -0.18 115.95 118.66 1x1u h TRP 38 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1x1u h TRP 38 Cb 0.11 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 1x1u h TRP 38 CO -0.04 0.22 0.19 0.22 -1.03 0.00 0.00 178.44 178.00 1x1u h ASP 39 N 0.55 0.61 -0.36 2.65 3.58 -1.13 -1.41 116.42 120.90 1x1u h ASP 39 Ca 0.29 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1x1u h ASP 39 Cb 0.25 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1x1u h ASP 39 CO -0.22 0.59 0.14 0.00 -2.88 0.00 0.00 179.24 176.87 1x1u h ALA 40 N 1.04 0.47 -0.61 -0.78 0.00 -0.45 0.48 119.26 119.40 1x1u h ALA 40 Ca 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x1u h ALA 40 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1x1u h ALA 40 CO -0.01 0.09 0.12 -0.07 0.00 0.00 0.00 179.25 179.37 1x1u h LEU 41 N 0.44 0.91 -0.31 0.00 3.38 -0.94 0.40 115.31 119.20 1x1u h LEU 41 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x1u h LEU 41 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x1u h LEU 41 CO -0.01 0.90 -0.66 0.35 0.09 0.00 0.00 178.44 179.12 1x1u n THR 42 N -4.24 0.00 -2.11 0.22 -2.24 -0.54 -4.53 114.28 100.83 1x1u n THR 42 Ca 0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1x1u n THR 42 Cb 0.26 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.46 0.69 2.16 3.38 0.00 0.17 -5.01 105.19 108.03 1x1u n GLY 43 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.11 -3.99 -1.21 1.61 -0.00 0.26 -4.89 117.44 109.33 1x1u n TRP 44 Ca -0.00 1.22 -0.37 0.00 -0.00 0.00 0.00 57.50 58.35 1x1u n TRP 44 Cb 0.77 2.95 0.05 0.00 -0.00 0.00 0.00 31.31 35.08 1x1u n TRP 44 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1x1u n VAL 45 N -3.37 1.08 -3.41 5.87 0.24 0.12 -4.96 118.33 113.89 1x1u n VAL 45 Ca 0.00 -0.43 -0.37 0.00 -2.04 0.00 0.00 64.34 61.50 1x1u n VAL 45 Cb 0.00 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.85 1x1u n VAL 45 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x1u s GLU 46 N -2.26 3.99 0.17 7.34 2.12 -1.26 -4.98 118.70 123.82 1x1u s GLU 46 Ca 0.60 0.49 0.07 0.00 0.36 0.00 0.00 54.97 56.49 1x1u s GLU 46 Cb -0.36 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1x1u s GLU 46 CO 0.64 0.59 -0.14 0.71 -0.54 0.00 0.00 175.26 176.52 1x1u s TYR 47 N -1.25 1.60 0.85 5.30 2.02 -1.26 -4.36 117.35 120.25 1x1u s TYR 47 Ca 0.31 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1x1u s TYR 47 Cb -0.17 -0.78 0.10 0.00 -0.40 0.00 0.00 41.96 40.72 1x1u s TYR 47 CO 0.17 0.27 1.13 -1.25 -1.57 0.00 0.00 175.55 174.31 1x1u s PRO 48 N -3.34 1.56 0.00 -1.71 0.04 -1.26 -5.07 135.00 125.23 1x1u s PRO 48 Ca 0.18 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1x1u s PRO 48 Cb -0.02 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1x1u s PRO 48 CO 0.05 -2.20 -0.04 -1.17 0.04 0.00 0.00 177.00 173.68 1x1u s LEU 49 N -6.24 2.03 -0.16 -3.56 2.96 -0.47 -4.40 118.68 108.85 1x1u s LEU 49 Ca 0.65 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1x1u s LEU 49 Cb -0.21 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.31 1x1u s LEU 49 CO 0.56 0.02 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.72 1x1u s VAL 50 N -0.20 2.16 -0.31 1.68 1.01 0.19 -0.29 120.40 124.64 1x1u s VAL 50 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1x1u s VAL 50 Cb -0.02 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1x1u s VAL 50 CO -0.00 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 175.47 1x1u s LEU 51 N 1.00 4.03 -0.37 3.92 2.96 0.41 0.12 118.68 130.75 1x1u s LEU 51 Ca -0.02 -1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 52.63 1x1u s LEU 51 Cb -0.15 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x1u s LEU 51 CO -0.06 -0.28 0.20 -0.70 -1.32 0.00 0.00 176.35 174.20 1x1u s GLU 52 N 1.34 2.85 -0.41 1.98 2.12 0.13 -0.60 118.70 126.12 1x1u s GLU 52 Ca -0.03 -1.06 -0.08 0.00 0.36 0.00 0.00 54.97 54.16 1x1u s GLU 52 Cb -0.19 -3.72 0.08 0.00 0.26 0.00 0.00 34.13 30.55 1x1u s GLU 52 CO 0.01 -0.69 0.24 -0.46 -0.54 0.00 0.00 175.26 173.82 1x1u s TRP 53 N 1.56 3.35 0.18 5.30 -0.11 -0.09 -0.53 118.94 128.59 1x1u s TRP 53 Ca 0.02 -1.59 -0.08 0.00 1.22 0.00 0.00 56.10 55.66 1x1u s TRP 53 Cb -0.19 -2.91 -0.06 0.00 -1.50 0.00 0.00 33.47 28.81 1x1u s TRP 53 CO 0.07 -0.85 0.47 1.03 -4.62 0.00 0.00 176.95 173.05 1x1u s ARG 54 N 1.40 3.75 -1.42 5.86 0.52 0.17 -1.84 118.95 127.39 1x1u s ARG 54 Ca 0.03 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.35 1x1u s ARG 54 Cb -0.23 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.49 1x1u s ARG 54 CO 0.02 0.41 0.63 1.04 0.02 0.00 0.00 175.30 177.41 1x1u n GLN 55 N 0.13 -4.15 -0.23 3.54 1.13 -1.25 0.29 117.38 116.84 1x1u n GLN 55 Ca -0.02 0.50 -0.00 0.00 -1.94 0.00 0.00 57.00 55.54 1x1u n GLN 55 Cb 0.52 -4.94 0.11 0.00 0.11 0.00 0.00 30.24 26.05 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 -1.85 0.65 -0.81 1.08 3.04 -1.92 -2.36 116.94 114.77 1x1u h PHE 56 Ca -0.61 0.03 0.10 0.00 3.98 0.00 0.00 57.97 61.47 1x1u h PHE 56 Cb 1.37 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.63 1x1u h PHE 56 CO 0.50 0.28 0.53 1.49 -2.02 0.00 0.00 178.31 179.09 1x1u h GLU 57 N 0.64 0.69 -0.15 1.11 4.57 -1.96 -0.86 114.58 118.62 1x1u h GLU 57 Ca 0.32 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.23 1x1u h GLU 57 Cb 0.27 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1x1u h GLU 57 CO -0.22 0.46 -0.79 1.96 -1.18 0.00 0.00 179.01 179.24 1x1u h GLN 58 N 0.71 0.79 -0.77 1.92 4.20 -1.74 -2.09 115.11 118.14 1x1u h GLN 58 Ca 0.38 -0.66 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1x1u h GLN 58 Cb 0.50 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1x1u h GLN 58 CO -0.15 1.26 0.28 0.66 -0.67 0.00 0.00 178.83 180.21 1x1u h SER 59 N 0.53 1.08 0.95 1.46 4.64 -1.03 -2.46 113.55 118.72 1x1u h SER 59 Ca -0.06 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 1x1u h SER 59 Cb 1.42 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1x1u h SER 59 CO 0.16 0.97 -0.60 0.07 -0.87 0.00 0.00 176.83 176.57 1x1u h LYS 60 N 1.12 0.00 0.00 4.77 2.10 -1.21 -2.63 116.57 120.72 1x1u h LYS 60 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1x1u h LYS 60 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1x1u h LYS 60 CO -0.02 0.60 0.00 0.94 -2.00 0.00 0.00 179.45 178.97 1x1u n GLN 61 N -3.50 0.73 -0.07 0.07 -0.06 -0.79 -1.29 117.38 112.48 1x1u n GLN 61 Ca 0.00 0.01 0.02 0.00 -2.00 0.00 0.00 57.00 55.03 1x1u n GLN 61 Cb 0.68 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 25.38 1x1u n GLN 61 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1x1u n LEU 62 N -1.08 1.38 -0.18 1.69 4.77 -1.00 -4.61 117.00 117.97 1x1u n LEU 62 Ca 0.19 -1.64 0.03 0.00 -0.03 0.00 0.00 56.01 54.55 1x1u n LEU 62 Cb 0.13 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1x1u n LEU 62 CO 0.17 0.40 0.38 0.35 -1.33 0.00 0.00 177.39 177.36 1x1u n THR 63 N -0.52 0.68 -3.96 -5.08 -2.24 -1.02 -3.74 114.28 98.40 1x1u n THR 63 Ca 0.03 -0.78 -0.28 0.00 -2.27 0.00 0.00 64.05 60.75 1x1u n THR 63 Cb 0.44 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1x1u n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1x1u n GLU 64 N -0.47 -4.17 -1.86 -0.78 4.07 -1.13 -0.27 120.64 116.03 1x1u n GLU 64 Ca 0.04 0.49 -0.12 0.00 -0.06 0.00 0.00 57.16 57.51 1x1u n GLU 64 Cb 0.55 -5.04 -0.03 0.00 -0.06 0.00 0.00 31.44 26.87 1x1u n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1x1u n ASN 65 N -2.88 -4.14 0.07 4.31 5.15 -0.41 -4.89 115.26 112.46 1x1u n ASN 65 Ca -0.13 0.12 -0.05 0.00 -0.60 0.00 0.00 54.58 53.92 1x1u n ASN 65 Cb 0.60 -3.09 -0.09 0.00 -0.53 0.00 0.00 39.78 36.67 1x1u n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1x1u h GLY 66 N 0.00 0.00 0.49 8.20 0.00 -0.86 -3.27 103.07 107.64 1x1u h GLY 66 Ca -0.27 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.16 1x1u h GLY 66 CO 0.35 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.43 1x1u h ALA 67 N 1.11 1.31 -0.45 3.60 0.00 -1.85 -0.37 119.26 122.63 1x1u h ALA 67 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1x1u h ALA 67 Cb 1.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1x1u h ALA 67 CO 0.11 0.15 0.11 1.49 0.00 0.00 0.00 179.25 181.11 1x1u h GLU 68 N 0.87 0.67 -0.36 0.00 4.57 -1.94 0.14 114.58 118.52 1x1u h GLU 68 Ca 0.44 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1x1u h GLU 68 Cb 0.42 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1x1u h GLU 68 CO -0.26 0.60 -0.00 0.77 -1.18 0.00 0.00 179.01 178.94 1x1u h SER 69 N 0.65 0.63 -0.25 1.04 0.02 -1.21 0.39 113.55 114.81 1x1u h SER 69 Ca 0.15 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1x1u h SER 69 Cb 0.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1x1u h SER 69 CO -0.00 0.79 0.06 0.58 -1.14 0.00 0.00 176.83 177.12 1x1u h VAL 70 N 0.45 1.21 -0.79 2.27 2.07 -0.88 -1.69 116.25 118.88 1x1u h VAL 70 Ca 0.10 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1x1u h VAL 70 Cb 0.47 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1x1u h VAL 70 CO 0.02 0.22 0.52 0.25 0.02 0.00 0.00 177.57 178.59 1x1u h LEU 71 N 0.23 0.92 -0.57 2.57 5.85 -0.59 -1.90 115.31 121.82 1x1u h LEU 71 Ca 0.08 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1x1u h LEU 71 Cb 0.27 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1x1u h LEU 71 CO 0.00 0.67 0.09 -0.61 -0.34 0.00 0.00 178.44 178.26 1x1u h GLN 72 N 1.07 0.21 -0.97 1.25 5.75 0.21 -0.74 115.11 121.91 1x1u h GLN 72 Ca 0.29 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1x1u h GLN 72 Cb -0.11 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.33 1x1u h GLN 72 CO -0.06 0.14 0.63 0.28 -2.65 0.00 0.00 178.83 177.17 1x1u h VAL 73 N 0.22 1.12 -0.23 2.39 2.07 -0.51 -0.93 116.25 120.38 1x1u h VAL 73 Ca 0.30 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1x1u h VAL 73 Cb 0.44 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1x1u h VAL 73 CO -0.41 0.21 -0.12 -0.26 0.02 0.00 0.00 177.57 177.02 1x1u h PHE 74 N 1.17 0.56 -0.50 1.57 -1.00 -0.99 -2.41 116.94 115.34 1x1u h PHE 74 Ca 0.40 -0.14 0.09 0.00 2.81 0.00 0.00 57.97 61.13 1x1u h PHE 74 Cb 0.09 -0.13 -0.07 0.00 3.61 0.00 0.00 35.95 39.45 1x1u h PHE 74 CO -0.00 0.76 0.08 0.00 -1.61 0.00 0.00 178.31 177.54 1x1u h ARG 75 N 0.20 0.20 -0.46 1.51 2.47 -0.60 -1.55 114.38 116.15 1x1u h ARG 75 Ca 0.05 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 1x1u h ARG 75 Cb 0.62 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 1x1u h ARG 75 CO 0.03 0.13 0.00 0.93 0.56 0.00 0.00 179.97 181.63 1x1u h GLU 76 N 0.20 0.81 -1.00 0.04 5.08 -1.15 -0.82 114.58 117.75 1x1u h GLU 76 Ca 0.25 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1x1u h GLU 76 Cb 0.36 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1x1u h GLU 76 CO -0.35 0.87 0.66 0.00 -1.00 0.00 0.00 179.01 179.18 1x1u h ALA 77 N 0.92 1.32 -0.33 3.43 0.00 -1.01 -2.37 119.26 121.23 1x1u h ALA 77 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1x1u h ALA 77 Cb 0.50 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x1u h ALA 77 CO 0.02 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.65 1x1u h LYS 78 N 1.31 0.58 0.00 0.00 3.11 -1.05 -2.64 116.57 117.88 1x1u h LYS 78 Ca 0.38 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1x1u h LYS 78 Cb -0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.11 1x1u h LYS 78 CO -0.10 0.71 0.25 0.00 -2.81 0.00 0.00 179.45 177.50 1x1u h ALA 79 N 0.85 1.17 -2.08 5.00 0.00 -0.60 -2.82 119.26 120.78 1x1u h ALA 79 Ca 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.47 1x1u h ALA 79 Cb 0.46 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.84 1x1u h ALA 79 CO 0.02 -0.17 -0.92 -0.85 0.00 0.00 0.00 179.25 177.33 1x1u n GLU 80 N -2.12 2.16 0.00 0.00 0.28 -1.01 -4.99 120.64 114.96 1x1u n GLU 80 Ca -0.01 -4.13 0.00 0.00 -0.16 0.00 0.00 57.16 52.86 1x1u n GLU 80 Cb 0.28 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1x1u n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x1u n GLY 81 N -0.02 2.75 3.57 -1.84 0.00 -1.06 -5.02 105.19 103.58 1x1u n GLY 81 Ca 0.28 -0.66 -0.61 0.00 0.00 0.00 0.00 46.02 45.02 1x1u n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1u n ALA 82 N 0.00 -2.89 -2.98 4.61 0.00 -1.14 -4.80 120.51 113.30 1x1u n ALA 82 Ca 0.00 0.57 -0.44 0.00 0.00 0.00 0.00 53.44 53.57 1x1u n ALA 82 Cb 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 1x1u n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x1u s ASP 83 N 0.88 7.06 -0.23 0.00 -1.08 -1.26 -4.38 116.67 117.65 1x1u s ASP 83 Ca 0.95 -2.98 -0.02 0.00 -0.52 0.00 0.00 52.55 49.98 1x1u s ASP 83 Cb -1.32 -2.38 0.02 0.00 -1.46 0.00 0.00 42.92 37.78 1x1u s ASP 83 CO 0.64 -0.73 -0.07 -0.63 0.52 0.00 0.00 175.17 174.89 1x1u s ILE 84 N 1.40 2.90 -0.21 4.11 1.01 -1.26 -1.36 121.20 127.79 1x1u s ILE 84 Ca 0.41 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1x1u s ILE 84 Cb -0.04 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1x1u s ILE 84 CO -0.01 0.29 0.41 -0.89 0.00 0.00 0.00 174.94 174.74 1x1u s THR 85 N 1.36 5.18 -0.20 2.92 2.01 0.60 -4.95 115.64 122.56 1x1u s THR 85 Ca 0.02 0.72 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1x1u s THR 85 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1x1u s THR 85 CO -0.05 0.23 0.08 -0.63 -0.69 0.00 0.00 174.62 173.56 1x1u s ILE 86 N 1.45 4.84 -0.19 1.82 -1.09 -1.26 -0.44 121.20 126.32 1x1u s ILE 86 Ca 0.19 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1x1u s ILE 86 Cb -0.15 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 1x1u s ILE 86 CO 0.08 0.43 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.43 1x1u s ILE 87 N 0.61 2.29 -0.46 2.92 1.01 0.23 -4.97 121.20 122.83 1x1u s ILE 87 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1x1u s ILE 87 Cb -0.13 -2.01 0.09 0.00 0.01 0.00 0.00 42.46 40.43 1x1u s ILE 87 CO 0.01 0.48 0.35 -0.76 0.00 0.00 0.00 174.94 175.02 1x1u s LEU 88 N 1.31 5.57 0.00 2.97 1.43 -1.26 -0.91 118.68 127.78 1x1u s LEU 88 Ca 0.04 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.56 1x1u s LEU 88 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x1u s LEU 88 CO -0.11 -0.65 0.35 -1.54 0.23 0.00 0.00 176.35 174.63