#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.00 -4.10 7.83 0.02 -2.08 -3.45 113.55 111.77 2g0u h SER 2 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2g0u h SER 2 Cb 0.00 0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.72 2g0u h SER 2 CO 0.00 0.00 0.31 -0.46 -1.14 0.00 0.00 176.83 175.54 2g0u n ASN 3 N -2.32 1.07 -4.57 3.07 6.94 -1.26 -5.01 115.26 113.18 2g0u n ASN 3 Ca 0.01 0.64 -0.36 0.00 -0.02 0.00 0.00 54.58 54.85 2g0u n ASN 3 Cb 0.19 -1.50 0.08 0.00 -2.36 0.00 0.00 39.78 36.19 2g0u n ASN 3 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2g0u n PRO 4 N -2.78 0.47 -1.58 -0.53 -0.02 -1.26 -4.99 135.00 124.31 2g0u n PRO 4 Ca 0.14 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2g0u n PRO 4 Cb 0.50 -2.09 0.07 0.00 -0.02 0.00 0.00 33.50 31.96 2g0u n PRO 4 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2g0u s PRO 5 N -3.08 2.51 0.05 0.52 0.04 -1.26 -5.08 135.00 128.69 2g0u s PRO 5 Ca 0.71 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2g0u s PRO 5 Cb -0.35 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2g0u s PRO 5 CO 0.52 -1.49 -0.02 0.95 0.04 0.00 0.00 177.00 177.01 2g0u s THR 6 N -2.35 0.19 0.36 1.26 -4.23 -1.26 -5.15 115.64 104.46 2g0u s THR 6 Ca 0.68 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 2g0u s THR 6 Cb -0.22 -1.26 -0.12 0.00 1.34 0.00 0.00 72.50 72.25 2g0u s THR 6 CO 0.45 -0.88 1.12 -2.65 -0.54 0.00 0.00 174.62 172.12 2g0u n PRO 7 N 0.40 1.65 -0.21 3.99 -0.02 -1.26 -4.95 135.00 134.60 2g0u n PRO 7 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2g0u n PRO 7 Cb 0.60 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2g0u n PRO 7 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2g0u n LEU 8 N 0.76 0.00 0.30 2.45 7.94 -1.26 -4.96 117.00 122.24 2g0u n LEU 8 Ca 0.08 -0.49 0.19 0.00 -1.11 0.00 0.00 56.01 54.68 2g0u n LEU 8 Cb 0.36 0.00 0.94 0.00 0.53 0.00 0.00 43.42 45.25 2g0u n LEU 8 CO 0.60 0.25 1.08 0.25 -1.11 0.00 0.00 177.39 178.46 2g0u h LEU 9 N 0.00 0.00 -2.80 -1.96 5.85 -2.02 -3.23 115.31 111.15 2g0u h LEU 9 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2g0u h LEU 9 Cb 1.13 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.83 2g0u h LEU 9 CO 0.00 0.02 -0.92 0.00 -0.34 0.00 0.00 178.44 177.20 2g0u n ALA 10 N -2.12 2.40 -0.02 1.25 0.00 -1.26 -4.96 120.51 115.80 2g0u n ALA 10 Ca -0.01 -2.07 0.09 0.00 0.00 0.00 0.00 53.44 51.45 2g0u n ALA 10 Cb 0.18 -0.68 0.50 0.00 0.00 0.00 0.00 19.45 19.46 2g0u n ALA 10 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2g0u h ASP 11 N 0.81 0.34 -3.68 0.00 2.03 -1.93 -3.42 116.42 110.57 2g0u h ASP 11 Ca -0.22 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.04 2g0u h ASP 11 Cb 1.80 -0.07 -0.22 0.00 -0.83 0.00 0.00 39.33 40.01 2g0u h ASP 11 CO 0.06 0.22 0.03 -0.47 -1.03 0.00 0.00 179.24 178.05 2g0u s TYR 12 N -5.37 -0.80 0.00 4.15 5.04 -1.26 -5.06 117.35 114.04 2g0u s TYR 12 Ca -0.07 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2g0u s TYR 12 Cb 0.19 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.84 2g0u s TYR 12 CO 0.73 -0.39 0.00 -1.91 -1.34 0.00 0.00 175.55 172.64 2g0u n GLU 13 N 3.22 0.00 0.00 4.97 2.13 -1.26 -5.01 120.64 124.69 2g0u n GLU 13 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2g0u n GLU 13 Cb 0.56 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2g0u n GLU 13 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2g0u n TRP 14 N -1.59 0.00 0.30 4.31 2.14 -1.26 -4.82 117.44 116.52 2g0u n TRP 14 Ca 0.00 0.00 0.19 0.00 2.07 0.00 0.00 57.50 59.76 2g0u n TRP 14 Cb 0.00 0.00 1.01 0.00 -0.81 0.00 0.00 31.31 31.51 2g0u n TRP 14 CO 0.00 0.00 0.00 0.77 2.07 0.00 0.00 177.69 180.53 2g0u h SER 15 N 0.00 0.00 -0.92 -0.67 0.02 -1.97 -1.34 113.55 108.67 2g0u h SER 15 Ca 0.00 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 2g0u h SER 15 Cb 0.02 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 2g0u h SER 15 CO 0.00 0.00 0.63 1.23 -1.14 0.00 0.00 176.83 177.55 2g0u h GLY 16 N 0.00 0.53 1.35 -3.77 0.00 -1.97 -0.06 103.07 99.15 2g0u h GLY 16 Ca 0.02 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.32 2g0u h GLY 16 CO -0.00 -0.02 0.25 -1.82 0.00 0.00 0.00 176.54 174.95 2g0u h TYR 17 N 0.23 0.00 0.00 5.60 3.20 -1.64 -1.10 116.97 123.26 2g0u h TYR 17 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.34 2g0u h TYR 17 Cb 1.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.73 2g0u h TYR 17 CO -0.00 0.00 -0.92 1.47 -1.64 0.00 0.00 178.16 177.07 2g0u n LEU 18 N -3.93 0.00 0.01 2.82 -0.00 -0.84 -4.63 117.00 110.43 2g0u n LEU 18 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.01 2g0u n LEU 18 Cb 0.40 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.03 2g0u n LEU 18 CO 0.29 0.00 0.76 0.74 -0.00 0.00 0.00 177.39 179.18 2g0u h THR 19 N 0.00 1.26 -0.34 1.47 2.02 -0.95 -0.29 112.91 116.07 2g0u h THR 19 Ca 0.00 -1.20 0.10 0.00 0.77 0.00 0.00 66.41 66.08 2g0u h THR 19 Cb 0.08 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2g0u h THR 19 CO 0.00 0.38 0.30 1.23 0.37 0.00 0.00 175.52 177.80 2g0u h GLY 20 N 0.99 0.00 0.00 2.16 0.00 -1.44 -1.85 103.07 102.93 2g0u h GLY 20 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.16 2g0u h GLY 20 CO 0.04 0.00 -1.90 4.51 0.00 0.00 0.00 176.54 179.20 2g0u n ILE 21 N -4.09 0.90 -0.34 2.60 0.13 -1.17 -4.64 119.36 112.75 2g0u n ILE 21 Ca 0.05 -0.44 0.02 0.00 -1.10 0.00 0.00 62.75 61.29 2g0u n ILE 21 Cb 0.47 -0.89 0.19 0.00 -0.84 0.00 0.00 39.64 38.57 2g0u n ILE 21 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2g0u h GLY 22 N 1.81 1.39 1.26 4.50 0.00 -0.87 -2.17 103.07 108.99 2g0u h GLY 22 Ca -0.35 -0.46 0.08 0.00 0.00 0.00 0.00 47.33 46.60 2g0u h GLY 22 CO -0.02 0.37 0.29 0.07 0.00 0.00 0.00 176.54 177.25 2g0u h ARG 23 N 1.15 0.00 -0.00 4.80 0.11 -1.59 -2.31 114.38 116.54 2g0u h ARG 23 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2g0u h ARG 23 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2g0u h ARG 23 CO -0.13 0.00 -0.08 0.00 0.10 0.00 0.00 179.97 179.86 2g0u n ALA 24 N -2.38 2.56 -0.95 0.08 0.00 -0.82 -2.46 120.51 116.55 2g0u n ALA 24 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2g0u n ALA 24 Cb 0.44 -1.42 0.34 0.00 0.00 0.00 0.00 19.45 18.82 2g0u n ALA 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2g0u n PHE 25 N -1.40 1.59 -1.85 0.00 7.35 -0.87 -4.48 117.46 117.81 2g0u n PHE 25 Ca 0.09 -0.79 0.00 0.00 -0.76 0.00 0.00 57.45 55.99 2g0u n PHE 25 Cb 0.31 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.71 2g0u n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2g0u n ASP 26 N 0.13 0.00 0.04 -2.13 2.03 -1.03 -4.99 116.55 110.60 2g0u n ASP 26 Ca 0.25 -1.65 0.22 0.00 0.52 0.00 0.00 54.79 54.13 2g0u n ASP 26 Cb 1.07 -0.13 0.73 0.00 -0.72 0.00 0.00 41.12 42.07 2g0u n ASP 26 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2g0u h ASP 27 N 0.00 0.00 0.30 1.67 2.03 -1.76 0.15 116.42 118.81 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2g0u h ASP 27 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2g0u h ASP 27 CO 0.00 0.00 -0.05 0.61 -1.03 0.00 0.00 179.24 178.77 2g0u n GLY 28 N -1.53 -0.98 0.00 7.15 0.00 -1.26 -3.77 105.19 104.80 2g0u n GLY 28 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2g0u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g0u n VAL 29 N -0.98 0.00 -0.42 1.61 0.31 0.13 -4.80 118.33 114.19 2g0u n VAL 29 Ca 0.17 -0.18 0.34 0.00 -0.01 0.00 0.00 64.34 64.67 2g0u n VAL 29 Cb 0.23 0.74 0.63 0.00 -0.91 0.00 0.00 33.84 34.54 2g0u n VAL 29 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2g0u h LYS 30 N 0.00 0.14 -0.14 5.55 3.64 -0.91 0.23 116.57 125.08 2g0u h LYS 30 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2g0u h LYS 30 Cb 0.00 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2g0u h LYS 30 CO 0.00 0.09 -0.23 0.22 -2.27 0.00 0.00 179.45 177.27 2g0u h ASP 31 N 0.14 -0.71 0.89 4.20 3.58 -1.86 0.41 116.42 123.07 2g0u h ASP 31 Ca 0.76 0.12 -0.23 0.00 0.42 0.00 0.00 57.03 58.10 2g0u h ASP 31 Cb 2.38 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 43.73 2g0u h ASP 31 CO -0.34 -0.28 -1.08 0.25 -2.88 0.00 0.00 179.24 174.92 2g0u h LEU 32 N -0.28 0.13 -0.98 2.28 6.46 -1.42 -3.05 115.31 118.46 2g0u h LEU 32 Ca 0.11 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 2g0u h LEU 32 Cb 0.44 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 2g0u h LEU 32 CO -0.31 1.11 0.38 -1.13 -0.62 0.00 0.00 178.44 177.88 2g0u h ASN 33 N 0.02 1.00 -0.48 1.25 -1.24 -0.92 -0.12 115.58 115.09 2g0u h ASN 33 Ca -0.05 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 56.82 2g0u h ASN 33 Cb 1.83 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 40.61 2g0u h ASN 33 CO 0.15 0.84 0.17 0.50 -1.29 0.00 0.00 177.43 177.80 2g0u h LYS 34 N 1.10 0.74 -0.98 6.67 3.64 -0.96 0.21 116.57 126.99 2g0u h LYS 34 Ca 0.27 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2g0u h LYS 34 Cb 0.09 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 2g0u h LYS 34 CO -0.04 0.69 0.63 1.96 -2.27 0.00 0.00 179.45 180.42 2g0u h GLN 35 N 0.64 1.30 -0.16 1.90 4.20 -1.34 -0.24 115.11 121.42 2g0u h GLN 35 Ca 0.16 -0.09 -0.21 0.00 0.06 0.00 0.00 58.65 58.57 2g0u h GLN 35 Cb 0.24 -0.29 0.01 0.00 0.30 0.00 0.00 27.48 27.74 2g0u h GLN 35 CO -0.01 0.87 -0.74 1.25 -0.67 0.00 0.00 178.83 179.54 2g0u h LEU 36 N 1.33 0.86 -1.05 1.46 5.85 -0.83 -1.42 115.31 121.51 2g0u h LEU 36 Ca 0.36 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2g0u h LEU 36 Cb -0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 2g0u h LEU 36 CO -0.07 1.33 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.60 2g0u h GLN 37 N 0.51 0.50 -0.60 1.25 -0.00 -0.79 0.29 115.11 116.27 2g0u h GLN 37 Ca -0.04 -0.15 -0.07 0.00 -0.00 0.00 0.00 58.65 58.39 2g0u h GLN 37 Cb 1.35 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.76 2g0u h GLN 37 CO 0.15 0.64 0.10 0.22 0.00 0.00 0.00 178.83 179.94 2g0u h ASP 38 N 0.46 0.92 -0.31 -0.69 3.58 -0.96 0.60 116.42 120.02 2g0u h ASP 38 Ca 0.08 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2g0u h ASP 38 Cb 0.53 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2g0u h ASP 38 CO 0.03 0.92 0.20 0.00 -2.88 0.00 0.00 179.24 177.51 2g0u h ALA 39 N 1.19 0.39 0.00 -0.78 0.00 -0.73 -1.38 119.26 117.95 2g0u h ALA 39 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2g0u h ALA 39 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2g0u h ALA 39 CO 0.01 -0.14 -0.13 0.37 0.00 0.00 0.00 179.25 179.36 2g0u h GLN 40 N 0.41 0.00 0.20 0.00 4.15 -0.57 0.67 115.11 119.97 2g0u h GLN 40 Ca 0.11 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.22 2g0u h GLN 40 Cb -0.04 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.68 2g0u h GLN 40 CO -0.02 0.13 -1.39 0.00 -1.93 0.00 0.00 178.83 175.62 2g0u h ALA 41 N 1.87 -0.03 -0.24 3.38 0.00 -0.62 0.40 119.26 124.02 2g0u h ALA 41 Ca -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 2g0u h ALA 41 Cb 0.36 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2g0u h ALA 41 CO 0.02 0.84 -0.02 -0.91 0.00 0.00 0.00 179.25 179.17 2g0u h ASN 42 N 0.11 0.33 -0.20 0.00 2.35 -0.81 -1.21 115.58 116.16 2g0u h ASN 42 Ca -0.20 -0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.33 2g0u h ASN 42 Cb 2.08 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 40.36 2g0u h ASN 42 CO 0.24 0.41 -0.49 0.25 -1.65 0.00 0.00 177.43 176.19 2g0u h LEU 43 N 0.35 0.85 -1.12 1.61 5.85 -0.90 -3.20 115.31 118.75 2g0u h LEU 43 Ca 0.08 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2g0u h LEU 43 Cb 0.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2g0u h LEU 43 CO 0.01 1.19 0.34 0.74 -0.34 0.00 0.00 178.44 180.38 2g0u h THR 44 N 0.61 1.21 -0.14 1.05 2.02 0.79 0.24 112.91 118.70 2g0u h THR 44 Ca 0.03 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2g0u h THR 44 Cb 1.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2g0u h THR 44 CO 0.10 0.25 0.03 0.11 0.37 0.00 0.00 175.52 176.38 2g0u h LYS 45 N 0.96 0.20 -1.55 6.66 1.57 -1.29 -3.37 116.57 119.74 2g0u h LYS 45 Ca 0.24 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 2g0u h LYS 45 Cb 0.07 -0.04 -0.26 0.00 0.08 0.00 0.00 32.23 32.09 2g0u h LYS 45 CO -0.03 0.19 -0.62 1.21 -0.57 0.00 0.00 179.45 179.63 2g0u s ASN 46 N -6.92 -0.06 0.58 0.86 2.47 -0.49 -5.08 114.94 106.30 2g0u s ASN 46 Ca -0.06 -1.59 0.35 0.00 0.42 0.00 0.00 52.86 51.98 2g0u s ASN 46 Cb 0.17 1.09 1.39 0.00 -1.45 0.00 0.00 41.25 42.45 2g0u s ASN 46 CO 0.70 -0.18 1.64 -0.65 -3.72 0.00 0.00 177.10 174.90 2g0u h PRO 47 N 6.44 0.00 0.00 0.43 0.11 -0.76 0.60 132.00 138.81 2g0u h PRO 47 Ca 0.08 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 2g0u h PRO 47 Cb 1.08 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.05 2g0u h PRO 47 CO 0.15 0.00 -0.69 -1.13 -0.21 0.00 0.00 178.00 176.12 2g0u n SER 48 N -3.76 1.44 -4.68 -2.05 3.41 -1.26 -4.88 113.62 101.84 2g0u n SER 48 Ca 0.24 -3.16 -0.42 0.00 -0.26 0.00 0.00 58.87 55.27 2g0u n SER 48 Cb 1.33 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g0u s ASP 49 N -2.75 6.46 0.40 4.04 -1.08 0.20 -4.90 116.67 119.04 2g0u s ASP 49 Ca 0.36 2.69 0.20 0.00 -0.52 0.00 0.00 52.55 55.28 2g0u s ASP 49 Cb 0.37 -2.56 0.83 0.00 -1.46 0.00 0.00 42.92 40.10 2g0u s ASP 49 CO -0.10 -1.00 1.81 1.55 0.52 0.00 0.00 175.17 177.95 2g0u h PRO 50 N 8.95 0.00 0.10 4.34 0.13 -1.96 0.14 132.00 143.70 2g0u h PRO 50 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 2g0u h PRO 50 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.94 0.32 -1.12 1.15 -0.23 0.00 0.00 178.00 179.07 2g0u h THR 51 N 0.00 1.32 -0.85 1.56 2.02 -1.97 0.10 112.91 115.08 2g0u h THR 51 Ca -0.00 -2.40 0.07 0.00 0.77 0.00 0.00 66.41 64.85 2g0u h THR 51 Cb 0.76 2.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.80 2g0u h THR 51 CO 0.04 0.72 0.52 0.00 0.37 0.00 0.00 175.52 177.17 2g0u h ALA 52 N 0.28 1.18 0.12 6.16 0.00 -1.82 0.25 119.26 125.43 2g0u h ALA 52 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 2g0u h ALA 52 Cb 1.81 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.40 2g0u h ALA 52 CO 0.22 0.22 -1.21 1.25 0.00 0.00 0.00 179.25 179.73 2g0u h LEU 53 N 0.92 0.45 -0.75 0.00 5.85 -0.77 0.20 115.31 121.21 2g0u h LEU 53 Ca 0.38 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 53 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2g0u h LEU 53 CO -0.19 1.35 0.37 0.00 -0.34 0.00 0.00 178.44 179.62 2g0u h ALA 54 N 0.59 0.97 0.27 1.25 0.00 -0.63 0.88 119.26 122.59 2g0u h ALA 54 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2g0u h ALA 54 Cb 1.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2g0u h ALA 54 CO 0.20 0.52 -0.13 -0.97 0.00 0.00 0.00 179.25 178.87 2g0u h ASN 55 N 1.05 -0.31 -0.60 0.00 -1.24 -0.41 0.47 115.58 114.55 2g0u h ASN 55 Ca 0.26 -0.15 0.07 0.00 0.71 0.00 0.00 56.30 57.19 2g0u h ASN 55 Cb 0.10 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.17 2g0u h ASN 55 CO -0.03 -0.01 0.27 0.22 -1.29 0.00 0.00 177.43 176.58 2g0u h TYR 56 N -0.62 0.48 -0.46 0.67 3.20 -0.94 0.33 116.97 119.63 2g0u h TYR 56 Ca -0.04 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2g0u h TYR 56 Cb 0.45 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2g0u h TYR 56 CO 0.01 0.18 -0.06 1.96 -1.64 0.00 0.00 178.16 178.61 2g0u h GLN 57 N 0.49 0.79 -0.05 1.82 1.08 -0.71 0.16 115.11 118.71 2g0u h GLN 57 Ca 0.28 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2g0u h GLN 57 Cb 0.28 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2g0u h GLN 57 CO -0.24 0.84 -0.02 1.98 -0.95 0.00 0.00 178.83 180.44 2g0u h MET 58 N 0.73 0.10 -0.29 1.46 4.05 -0.53 -0.47 114.93 119.97 2g0u h MET 58 Ca 0.13 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 2g0u h MET 58 Cb 0.54 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2g0u h MET 58 CO 0.03 0.48 -0.16 0.82 0.23 0.00 0.00 176.91 178.31 2g0u h ILE 59 N -0.28 1.24 -0.25 1.77 2.04 -0.89 -2.27 117.51 118.87 2g0u h ILE 59 Ca 0.01 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.64 2g0u h ILE 59 Cb 0.45 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2g0u h ILE 59 CO 0.01 0.36 -0.33 -0.03 0.00 0.00 0.00 178.15 178.16 2g0u h MET 60 N 0.47 0.53 -0.71 2.37 4.05 -0.62 0.22 114.93 121.25 2g0u h MET 60 Ca 0.08 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2g0u h MET 60 Cb 0.56 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 2g0u h MET 60 CO 0.04 0.80 0.44 0.77 0.23 0.00 0.00 176.91 179.19 2g0u h SER 61 N 0.45 0.83 -0.29 1.39 0.02 -0.75 0.20 113.55 115.40 2g0u h SER 61 Ca 0.05 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2g0u h SER 61 Cb 0.80 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2g0u h SER 61 CO 0.07 0.63 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.73 2g0u h GLU 62 N 0.96 0.74 0.02 3.45 5.08 -1.13 -2.65 114.58 121.04 2g0u h GLU 62 Ca 0.26 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2g0u h GLU 62 Cb -0.06 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2g0u h GLU 62 CO -0.05 1.02 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.89 2g0u h TYR 63 N 0.49 -0.44 -0.42 4.33 3.20 -0.41 -0.57 116.97 123.14 2g0u h TYR 63 Ca 0.04 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2g0u h TYR 63 Cb 0.91 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2g0u h TYR 63 CO 0.07 -0.25 -0.32 -0.97 -1.64 0.00 0.00 178.16 175.06 2g0u h ASN 64 N -0.29 0.99 -0.24 -2.11 -0.73 -1.02 -1.22 115.58 110.96 2g0u h ASN 64 Ca 0.05 -0.42 -0.02 0.00 1.87 0.00 0.00 56.30 57.77 2g0u h ASN 64 Cb 0.35 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2g0u h ASN 64 CO -0.15 1.22 0.06 0.25 -0.37 0.00 0.00 177.43 178.44 2g0u h LEU 65 N 0.79 0.36 -0.79 0.34 5.85 -1.41 -0.98 115.31 119.47 2g0u h LEU 65 Ca 0.08 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2g0u h LEU 65 Cb 0.90 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2g0u h LEU 65 CO 0.08 0.49 0.05 0.22 -0.34 0.00 0.00 178.44 178.94 2g0u h TYR 66 N 0.21 1.03 -0.74 1.25 3.20 -1.01 -0.28 116.97 120.63 2g0u h TYR 66 Ca 0.08 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2g0u h TYR 66 Cb 0.27 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2g0u h TYR 66 CO 0.01 0.90 0.31 0.00 -1.64 0.00 0.00 178.16 177.73 2g0u h ARG 67 N 0.90 1.10 -0.80 1.82 3.08 -1.16 0.59 114.38 119.91 2g0u h ARG 67 Ca 0.18 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2g0u h ARG 67 Cb 0.45 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2g0u h ARG 67 CO 0.02 0.89 0.38 -0.97 -1.07 0.00 0.00 179.97 179.22 2g0u h ASN 68 N 1.06 1.03 -0.09 7.04 -0.73 -0.84 -0.51 115.58 122.54 2g0u h ASN 68 Ca 0.25 -0.12 -0.13 0.00 1.87 0.00 0.00 56.30 58.17 2g0u h ASN 68 Cb 0.19 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 2g0u h ASN 68 CO -0.02 0.87 -0.37 0.00 -0.37 0.00 0.00 177.43 177.53 2g0u h ALA 69 N 1.29 0.86 -0.47 1.57 0.00 -0.69 -0.79 119.26 121.02 2g0u h ALA 69 Ca 0.27 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2g0u h ALA 69 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2g0u h ALA 69 CO -0.04 0.64 0.07 0.37 0.00 0.00 0.00 179.25 180.30 2g0u h GLN 70 N 0.50 0.78 -0.79 0.00 5.75 -0.64 -0.52 115.11 120.18 2g0u h GLN 70 Ca 0.05 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 2g0u h GLN 70 Cb 0.87 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 2g0u h GLN 70 CO 0.08 0.79 0.43 0.77 -2.65 0.00 0.00 178.83 178.25 2g0u h SER 71 N 0.65 0.97 -0.51 -0.69 0.02 -0.99 -0.99 113.55 112.00 2g0u h SER 71 Ca 0.14 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2g0u h SER 71 Cb 0.39 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2g0u h SER 71 CO 0.01 0.78 0.10 0.28 -1.14 0.00 0.00 176.83 176.87 2g0u h SER 72 N 1.10 0.84 -0.34 3.07 0.02 -0.89 -0.45 113.55 116.89 2g0u h SER 72 Ca 0.28 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2g0u h SER 72 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2g0u h SER 72 CO -0.05 0.84 0.07 0.00 -1.14 0.00 0.00 176.83 176.55 2g0u h ALA 73 N 1.27 0.45 -0.77 3.77 0.00 -0.67 -2.74 119.26 120.56 2g0u h ALA 73 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2g0u h ALA 73 Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2g0u h ALA 73 CO 0.01 0.13 0.43 0.28 0.00 0.00 0.00 179.25 180.09 2g0u h VAL 74 N 0.40 1.23 0.00 0.00 2.07 -1.00 -0.89 116.25 118.05 2g0u h VAL 74 Ca 0.11 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2g0u h VAL 74 Cb 0.32 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2g0u h VAL 74 CO 0.00 0.26 0.00 0.50 0.02 0.00 0.00 177.57 178.35 2g0u h LYS 75 N 1.07 0.00 -0.06 1.57 1.63 -1.02 -3.03 116.57 116.73 2g0u h LYS 75 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2g0u h LYS 75 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2g0u h LYS 75 CO -0.04 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.39 2g0u n SER 76 N -2.90 1.92 0.05 4.20 7.64 -0.61 -4.84 113.62 119.07 2g0u n SER 76 Ca -0.02 -1.74 0.13 0.00 1.01 0.00 0.00 58.87 58.25 2g0u n SER 76 Cb 0.10 -0.04 0.60 0.00 -1.01 0.00 0.00 64.21 63.87 2g0u n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u h MET 77 N 0.46 0.15 -0.11 1.43 -0.00 -1.08 0.06 114.93 115.84 2g0u h MET 77 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 2g0u h MET 77 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.98 2g0u h MET 77 CO 0.00 0.10 -0.23 0.87 -0.00 0.00 0.00 176.91 177.65 2g0u h LYS 78 N 0.15 0.18 0.17 -0.10 1.57 -1.88 -1.77 116.57 114.90 2g0u h LYS 78 Ca 0.18 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.64 2g0u h LYS 78 Cb 0.52 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.83 2g0u h LYS 78 CO -0.03 0.41 -1.26 0.22 -0.57 0.00 0.00 179.45 178.23 2g0u h ASP 79 N 0.17 0.56 -0.35 0.86 3.58 -1.42 -3.35 116.42 116.48 2g0u h ASP 79 Ca 0.03 -0.92 0.05 0.00 0.42 0.00 0.00 57.03 56.61 2g0u h ASP 79 Cb 0.51 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2g0u h ASP 79 CO 0.04 1.59 0.24 0.40 -2.88 0.00 0.00 179.24 178.62 2g0u h ILE 80 N -0.16 0.97 0.00 2.25 2.04 -1.18 0.11 117.51 121.54 2g0u h ILE 80 Ca -0.24 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2g0u h ILE 80 Cb 1.87 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2g0u h ILE 80 CO 0.16 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.69 2g0u n ASP 81 N -4.48 0.57 0.00 1.72 2.03 -0.67 -1.92 116.55 113.79 2g0u n ASP 81 Ca 0.04 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.09 2g0u n ASP 81 Cb 0.22 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 2g0u n ASP 81 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2g0u n SER 82 N -2.24 3.40 -2.61 1.67 2.88 -0.45 -4.86 113.62 111.41 2g0u n SER 82 Ca -0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2g0u n SER 82 Cb 0.06 0.67 0.02 0.00 -0.75 0.00 0.00 64.21 64.22 2g0u n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2g0u n SER 83 N -1.03 2.38 -4.65 -3.46 7.64 0.27 -5.11 113.62 109.66 2g0u n SER 83 Ca 0.00 -2.95 -0.56 0.00 1.01 0.00 0.00 58.87 56.36 2g0u n SER 83 Cb 0.01 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u n ILE 84 N -0.22 0.14 -3.61 0.44 0.13 -0.81 -4.56 119.36 110.87 2g0u n ILE 84 Ca 0.17 -0.03 -0.06 0.00 -1.10 0.00 0.00 62.75 61.74 2g0u n ILE 84 Cb 0.78 -0.92 -0.08 0.00 -0.84 0.00 0.00 39.64 38.59 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2g0u s LEU 85 N 2.08 -0.81 0.26 9.51 2.96 -1.26 -5.10 118.68 126.32 2g0u s LEU 85 Ca 0.93 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 2g0u s LEU 85 Cb -1.08 1.62 -0.11 0.00 0.50 0.00 0.00 46.19 47.12 2g0u s LEU 85 CO 0.59 -0.24 1.58 -1.83 -1.32 0.00 0.00 176.35 175.14 2g0u s GLU 86 N 2.69 4.16 0.00 1.98 1.03 -1.26 -4.94 118.70 122.36 2g0u s GLU 86 Ca -0.01 2.51 0.27 0.00 0.03 0.00 0.00 54.97 57.77 2g0u s GLU 86 Cb -0.12 -3.06 0.80 0.00 -0.80 0.00 0.00 34.13 30.95 2g0u s GLU 86 CO -0.15 -0.61 1.60 0.72 -1.33 0.00 0.00 175.26 175.49 2g0u n HIS 87 N 2.64 0.00 -1.73 4.83 8.25 -1.26 -4.91 115.22 123.04 2g0u n HIS 87 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2g0u n HIS 87 Cb 0.38 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 2g0u n HIS 87 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2g0u s HIS 88 N -2.38 2.68 0.33 4.41 3.76 -1.26 -4.99 115.29 117.83 2g0u s HIS 88 Ca 0.27 0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 55.28 2g0u s HIS 88 Cb 0.20 -4.14 0.03 0.00 1.11 0.00 0.00 32.58 29.77 2g0u s HIS 88 CO 0.48 -4.45 0.68 -3.38 -0.85 0.00 0.00 174.74 167.21 2g0u s HIS 89 N 1.66 0.23 0.00 1.40 -3.43 -1.26 -5.09 115.29 108.80 2g0u s HIS 89 Ca 0.76 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 2g0u s HIS 89 Cb -0.48 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 2g0u s HIS 89 CO 0.33 -1.34 0.00 1.58 -2.00 0.00 0.00 174.74 173.32 2g0u n HIS 90 N -0.50 -0.02 -2.33 0.38 -0.00 -1.26 -5.07 115.22 106.42 2g0u n HIS 90 Ca -0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.28 2g0u n HIS 90 Cb 0.60 0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.97 2g0u n HIS 90 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2g0u s HIS 91 N -2.00 3.26 0.00 1.57 5.65 -1.26 -5.28 115.29 117.24 2g0u s HIS 91 Ca 0.00 1.58 0.00 0.00 0.25 0.00 0.00 55.06 56.89 2g0u s HIS 91 Cb 0.00 -3.42 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 2g0u s HIS 91 CO 0.00 -1.14 0.00 1.58 -0.65 0.00 0.00 174.74 174.53