#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u n SER 2 N 0.00 0.00 -4.63 6.12 2.88 -1.26 -5.14 113.62 111.60 2g0u n SER 2 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2g0u n SER 2 Cb 0.00 0.10 0.19 0.00 -0.75 0.00 0.00 64.21 63.75 2g0u n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2g0u n ASN 3 N -1.72 -0.08 -4.76 -3.46 6.94 -1.26 -5.03 115.26 105.88 2g0u n ASN 3 Ca 0.00 0.31 -0.33 0.00 -0.02 0.00 0.00 54.58 54.53 2g0u n ASN 3 Cb 0.00 -1.44 0.05 0.00 -2.36 0.00 0.00 39.78 36.03 2g0u n ASN 3 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2g0u s PRO 4 N -4.58 2.79 0.65 -0.53 0.04 -1.26 -5.01 135.00 127.10 2g0u s PRO 4 Ca 0.67 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2g0u s PRO 4 Cb -0.23 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2g0u s PRO 4 CO 0.59 -1.27 0.69 -2.30 0.04 0.00 0.00 177.00 174.75 2g0u n PRO 5 N -2.30 0.53 -4.01 0.56 -0.02 -1.26 -5.07 135.00 123.43 2g0u n PRO 5 Ca 0.11 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.73 2g0u n PRO 5 Cb 0.52 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 2g0u n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2g0u s THR 6 N -1.74 0.18 0.56 3.45 -4.23 -1.26 -5.16 115.64 107.44 2g0u s THR 6 Ca 0.70 -1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 59.54 2g0u s THR 6 Cb -0.39 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.15 2g0u s THR 6 CO 0.53 -0.81 0.95 -2.65 -0.54 0.00 0.00 174.62 172.10 2g0u n PRO 7 N 0.37 0.99 -3.35 3.99 -0.02 -1.26 -5.04 135.00 130.69 2g0u n PRO 7 Ca -0.16 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2g0u n PRO 7 Cb 0.60 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 2g0u n PRO 7 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2g0u s LEU 8 N -1.58 -0.54 0.39 2.45 2.96 -1.26 -5.05 118.68 116.06 2g0u s LEU 8 Ca 0.72 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 2g0u s LEU 8 Cb -0.44 0.84 0.84 0.00 0.50 0.00 0.00 46.19 47.92 2g0u s LEU 8 CO 0.50 -0.37 1.99 -0.07 -1.32 0.00 0.00 176.35 177.08 2g0u h LEU 9 N 8.17 0.54 -0.23 -0.68 3.38 -1.96 -1.28 115.31 123.25 2g0u h LEU 9 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2g0u h LEU 9 Cb 1.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2g0u h LEU 9 CO 0.29 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.18 2g0u n ALA 10 N -2.47 1.05 -1.53 1.53 0.00 -1.26 -1.00 120.51 116.82 2g0u n ALA 10 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.60 2g0u n ALA 10 Cb 0.21 -1.07 0.06 0.00 0.00 0.00 0.00 19.45 18.66 2g0u n ALA 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g0u n ASP 11 N -1.62 1.09 0.00 0.00 2.03 -0.51 -4.82 116.55 112.72 2g0u n ASP 11 Ca -0.00 -2.48 0.00 0.00 0.52 0.00 0.00 54.79 52.83 2g0u n ASP 11 Cb 0.02 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 2g0u n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2g0u n TYR 12 N -0.66 0.00 0.65 -0.67 9.36 -0.76 -4.79 117.16 120.29 2g0u n TYR 12 Ca 0.07 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.39 2g0u n TYR 12 Cb 0.66 0.00 0.42 0.00 -0.63 0.00 0.00 39.34 39.79 2g0u n TYR 12 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2g0u n GLU 13 N -0.72 0.02 -4.00 2.98 1.02 -0.17 -4.82 120.64 114.95 2g0u n GLU 13 Ca 0.00 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 2g0u n GLU 13 Cb 0.01 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 2g0u n GLU 13 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2g0u s TRP 14 N -3.02 0.36 0.00 -0.32 0.51 -1.26 -5.08 118.94 110.13 2g0u s TRP 14 Ca 0.09 -0.83 0.00 0.00 -2.12 0.00 0.00 56.10 53.24 2g0u s TRP 14 Cb 0.13 -0.25 0.00 0.00 -0.81 0.00 0.00 33.47 32.53 2g0u s TRP 14 CO 0.37 -0.41 0.31 -1.13 -0.51 0.00 0.00 176.95 175.57 2g0u n SER 15 N 0.23 0.00 0.00 2.95 3.41 -1.26 -4.78 113.62 114.17 2g0u n SER 15 Ca -0.15 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 2g0u n SER 15 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g0u n GLY 16 N 0.00 0.62 0.34 5.00 0.00 -1.26 -5.01 105.19 104.88 2g0u n GLY 16 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2g0u n GLY 16 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g0u h TYR 17 N 0.00 0.40 0.00 1.61 3.20 -1.99 -0.87 116.97 119.33 2g0u h TYR 17 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2g0u h TYR 17 Cb 0.00 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2g0u h TYR 17 CO 0.00 0.21 -0.03 1.25 -1.64 0.00 0.00 178.16 177.95 2g0u h LEU 18 N 0.39 0.00 0.20 2.82 5.85 -1.95 -0.14 115.31 122.48 2g0u h LEU 18 Ca 0.24 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.64 2g0u h LEU 18 Cb 0.43 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.48 2g0u h LEU 18 CO -0.06 0.03 -1.47 0.74 -0.34 0.00 0.00 178.44 177.33 2g0u h THR 19 N 0.00 1.27 -0.61 1.05 2.02 -1.59 -3.22 112.91 111.83 2g0u h THR 19 Ca -0.00 -2.77 -0.02 0.00 0.77 0.00 0.00 66.41 64.39 2g0u h THR 19 Cb 0.06 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 2g0u h THR 19 CO 0.00 0.84 0.31 1.23 0.37 0.00 0.00 175.52 178.27 2g0u h GLY 20 N 0.77 0.94 1.30 2.16 0.00 -0.97 -1.86 103.07 105.40 2g0u h GLY 20 Ca -0.24 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2g0u h GLY 20 CO 0.23 0.43 0.00 4.51 0.00 0.00 0.00 176.54 181.72 2g0u n ILE 21 N -4.52 0.11 -0.34 2.60 3.06 -0.14 -4.37 119.36 115.75 2g0u n ILE 21 Ca 0.04 0.03 0.19 0.00 -2.50 0.00 0.00 62.75 60.51 2g0u n ILE 21 Cb 0.11 -0.62 0.41 0.00 0.54 0.00 0.00 39.64 40.09 2g0u n ILE 21 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2g0u h GLY 22 N 4.11 1.96 0.94 4.50 0.00 -1.34 0.63 103.07 113.87 2g0u h GLY 22 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.13 2g0u h GLY 22 CO 0.00 -0.32 0.48 -0.09 0.00 0.00 0.00 176.54 176.61 2g0u h ARG 23 N 0.51 0.62 0.00 4.80 2.43 -1.80 -1.40 114.38 119.55 2g0u h ARG 23 Ca 0.67 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.50 2g0u h ARG 23 Cb 1.36 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 2g0u h ARG 23 CO -0.51 0.41 -1.87 0.00 -1.51 0.00 0.00 179.97 176.49 2g0u n ALA 24 N -2.47 1.52 0.20 2.80 0.00 -0.06 -4.22 120.51 118.28 2g0u n ALA 24 Ca 0.12 -0.90 0.04 0.00 0.00 0.00 0.00 53.44 52.70 2g0u n ALA 24 Cb 0.32 -0.69 0.43 0.00 0.00 0.00 0.00 19.45 19.51 2g0u n ALA 24 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2g0u h PHE 25 N 0.00 0.00 -0.79 0.00 3.04 -0.60 -2.89 116.94 115.71 2g0u h PHE 25 Ca -0.34 0.00 0.15 0.00 3.98 0.00 0.00 57.97 61.76 2g0u h PHE 25 Cb 2.05 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.51 2g0u h PHE 25 CO 0.00 0.29 0.52 0.22 -2.02 0.00 0.00 178.31 177.32 2g0u h ASP 26 N 0.00 0.42 0.74 0.41 3.58 -1.44 -0.01 116.42 120.12 2g0u h ASP 26 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2g0u h ASP 26 Cb 0.53 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2g0u h ASP 26 CO 0.04 0.21 0.00 -0.78 -2.88 0.00 0.00 179.24 175.83 2g0u h ASP 27 N 0.45 0.00 0.71 2.28 3.58 -1.75 -2.62 116.42 119.06 2g0u h ASP 27 Ca 0.39 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.58 2g0u h ASP 27 Cb 0.87 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2g0u h ASP 27 CO -0.13 0.00 -1.22 1.23 -2.88 0.00 0.00 179.24 176.23 2g0u h GLY 28 N 1.71 0.22 2.00 -0.78 0.00 -1.14 -3.33 103.07 101.74 2g0u h GLY 28 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2g0u h GLY 28 CO 0.00 0.49 0.00 -2.08 0.00 0.00 0.00 176.54 174.95 2g0u h VAL 29 N 0.05 0.00 -0.04 4.60 2.07 -1.35 -2.10 116.25 119.48 2g0u h VAL 29 Ca -0.12 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2g0u h VAL 29 Cb 1.92 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2g0u h VAL 29 CO 0.18 0.00 0.30 0.11 0.02 0.00 0.00 177.57 178.17 2g0u h LYS 30 N 0.00 0.00 -0.93 1.57 1.57 -1.67 -0.56 116.57 116.54 2g0u h LYS 30 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 2g0u h LYS 30 Cb 0.31 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 2g0u h LYS 30 CO 0.00 0.00 0.59 0.22 -0.57 0.00 0.00 179.45 179.69 2g0u h ASP 31 N 0.00 0.73 -0.57 0.86 3.58 -1.64 -2.12 116.42 117.26 2g0u h ASP 31 Ca 0.02 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2g0u h ASP 31 Cb 0.61 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2g0u h ASP 31 CO -0.00 0.36 0.15 0.25 -2.88 0.00 0.00 179.24 177.12 2g0u h LEU 32 N 0.77 0.85 -1.21 2.28 6.46 -1.34 0.94 115.31 124.06 2g0u h LEU 32 Ca 0.47 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 2g0u h LEU 32 Cb 0.69 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2g0u h LEU 32 CO -0.24 0.86 0.17 -1.13 -0.62 0.00 0.00 178.44 177.48 2g0u h ASN 33 N 0.81 0.66 -0.34 1.25 -0.00 -1.58 -1.29 115.58 115.08 2g0u h ASN 33 Ca 0.18 -0.09 -0.13 0.00 -0.00 0.00 0.00 56.30 56.26 2g0u h ASN 33 Cb 0.33 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.47 2g0u h ASN 33 CO -0.00 0.62 -0.27 0.50 -0.00 0.00 0.00 177.43 178.27 2g0u h LYS 34 N 0.71 0.86 -0.90 6.67 3.64 -0.73 -1.18 116.57 125.64 2g0u h LYS 34 Ca 0.17 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2g0u h LYS 34 Cb 0.18 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2g0u h LYS 34 CO -0.01 1.02 0.60 1.96 -2.27 0.00 0.00 179.45 180.75 2g0u h GLN 35 N 0.73 1.18 -0.29 1.90 4.20 -0.48 -0.19 115.11 122.16 2g0u h GLN 35 Ca 0.09 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2g0u h GLN 35 Cb 0.82 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2g0u h GLN 35 CO 0.07 0.78 -0.48 1.25 -0.67 0.00 0.00 178.83 179.79 2g0u h LEU 36 N 1.22 0.85 -1.03 1.46 5.85 -1.08 -0.38 115.31 122.20 2g0u h LEU 36 Ca 0.33 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2g0u h LEU 36 Cb -0.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.63 2g0u h LEU 36 CO -0.07 1.19 -0.28 1.56 -0.34 0.00 0.00 178.44 180.50 2g0u h GLN 37 N 0.62 0.35 -0.49 1.25 1.08 -1.04 0.83 115.11 117.71 2g0u h GLN 37 Ca 0.03 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2g0u h GLN 37 Cb 1.05 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 2g0u h GLN 37 CO 0.10 0.61 0.17 0.22 -0.95 0.00 0.00 178.83 178.99 2g0u h ASP 38 N 0.31 0.70 -0.48 1.46 3.58 -0.84 -0.13 116.42 121.02 2g0u h ASP 38 Ca 0.05 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.34 2g0u h ASP 38 Cb 0.66 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 2g0u h ASP 38 CO 0.05 0.70 0.27 0.00 -2.88 0.00 0.00 179.24 177.38 2g0u h ALA 39 N 1.02 0.62 0.00 -0.78 0.00 -0.70 -0.11 119.26 119.31 2g0u h ALA 39 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2g0u h ALA 39 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2g0u h ALA 39 CO -0.01 -0.05 -0.27 0.37 0.00 0.00 0.00 179.25 179.29 2g0u h GLN 40 N 0.53 0.00 0.16 0.00 4.15 -0.63 0.13 115.11 119.46 2g0u h GLN 40 Ca 0.20 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.33 2g0u h GLN 40 Cb 0.06 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.76 2g0u h GLN 40 CO -0.11 0.27 -1.33 0.00 -1.93 0.00 0.00 178.83 175.73 2g0u h ALA 41 N 1.73 0.03 -0.37 3.38 0.00 -0.60 0.38 119.26 123.81 2g0u h ALA 41 Ca -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2g0u h ALA 41 Cb 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2g0u h ALA 41 CO 0.04 0.91 0.05 -0.91 0.00 0.00 0.00 179.25 179.33 2g0u h ASN 42 N 0.09 0.52 0.19 0.00 2.35 -0.70 -0.64 115.58 117.39 2g0u h ASN 42 Ca -0.17 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 2g0u h ASN 42 Cb 2.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.26 2g0u h ASN 42 CO 0.22 0.56 -0.60 0.25 -1.65 0.00 0.00 177.43 176.22 2g0u h LEU 43 N 0.55 0.46 -0.87 1.61 5.85 -0.79 -3.11 115.31 119.01 2g0u h LEU 43 Ca 0.12 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2g0u h LEU 43 Cb 0.28 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2g0u h LEU 43 CO 0.00 0.95 0.19 0.74 -0.34 0.00 0.00 178.44 179.99 2g0u h THR 44 N 0.31 1.25 -0.19 1.05 2.02 0.85 0.20 112.91 118.39 2g0u h THR 44 Ca -0.00 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2g0u h THR 44 Cb 1.13 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2g0u h THR 44 CO 0.10 0.34 0.06 0.11 0.37 0.00 0.00 175.52 176.50 2g0u h LYS 45 N 0.99 0.26 -1.68 6.66 1.57 -1.17 -3.37 116.57 119.82 2g0u h LYS 45 Ca 0.22 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.69 2g0u h LYS 45 Cb 0.30 -0.05 -0.28 0.00 0.08 0.00 0.00 32.23 32.28 2g0u h LYS 45 CO -0.01 0.23 -0.62 1.21 -0.57 0.00 0.00 179.45 179.70 2g0u s ASN 46 N -6.88 0.39 0.61 0.86 3.84 -0.80 -5.07 114.94 107.89 2g0u s ASN 46 Ca -0.06 -1.35 0.27 0.00 0.21 0.00 0.00 52.86 51.93 2g0u s ASN 46 Cb 0.17 0.96 1.31 0.00 -0.55 0.00 0.00 41.25 43.14 2g0u s ASN 46 CO 0.71 -0.23 1.73 -0.65 -2.79 0.00 0.00 177.10 175.86 2g0u h PRO 47 N 7.05 0.00 0.00 0.43 0.11 -0.81 -0.64 132.00 138.13 2g0u h PRO 47 Ca 0.05 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 2g0u h PRO 47 Cb 1.09 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 2g0u h PRO 47 CO 0.17 0.00 -0.74 -1.13 -0.21 0.00 0.00 178.00 176.09 2g0u n SER 48 N -3.39 1.34 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.08 2g0u n SER 48 Ca 0.09 -2.91 -0.42 0.00 -0.26 0.00 0.00 58.87 55.37 2g0u n SER 48 Cb 0.81 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.56 6.44 0.39 4.04 -1.08 -0.25 -4.90 116.67 118.75 2g0u s ASP 49 Ca 0.35 2.72 0.18 0.00 -0.52 0.00 0.00 52.55 55.28 2g0u s ASP 49 Cb 0.36 -2.56 0.82 0.00 -1.46 0.00 0.00 42.92 40.08 2g0u s ASP 49 CO -0.11 -1.00 1.82 1.55 0.52 0.00 0.00 175.17 177.95 2g0u h PRO 50 N 8.79 0.00 0.11 4.34 0.13 -1.96 0.12 132.00 143.53 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 0.95 0.34 -1.11 1.15 -0.23 0.00 0.00 178.00 179.09 2g0u h THR 51 N 0.00 1.33 -0.89 1.56 2.02 -1.97 0.78 112.91 115.73 2g0u h THR 51 Ca -0.00 -2.41 0.08 0.00 0.77 0.00 0.00 66.41 64.84 2g0u h THR 51 Cb 0.72 2.74 -0.07 0.00 -1.74 0.00 0.00 68.15 69.80 2g0u h THR 51 CO 0.04 0.73 0.54 0.00 0.37 0.00 0.00 175.52 177.20 2g0u h ALA 52 N 0.26 1.25 0.14 6.16 0.00 -1.82 0.19 119.26 125.44 2g0u h ALA 52 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 2g0u h ALA 52 Cb 1.81 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.40 2g0u h ALA 52 CO 0.21 0.24 -1.26 1.25 0.00 0.00 0.00 179.25 179.70 2g0u h LEU 53 N 0.95 0.50 -0.74 0.00 5.85 -0.80 0.23 115.31 121.30 2g0u h LEU 53 Ca 0.41 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2g0u h LEU 53 Cb 0.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2g0u h LEU 53 CO -0.21 1.40 0.42 0.00 -0.34 0.00 0.00 178.44 179.71 2g0u h ALA 54 N 0.53 0.95 0.28 1.25 0.00 -0.68 0.89 119.26 122.48 2g0u h ALA 54 Ca -0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.98 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2g0u h ALA 54 CO 0.21 0.45 -0.14 -0.97 0.00 0.00 0.00 179.25 178.81 2g0u h ASN 55 N 1.02 -0.32 -0.66 0.00 -1.24 -0.54 -0.19 115.58 113.64 2g0u h ASN 55 Ca 0.26 -0.16 0.10 0.00 0.71 0.00 0.00 56.30 57.21 2g0u h ASN 55 Cb 0.02 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.08 2g0u h ASN 55 CO -0.04 -0.01 0.29 0.22 -1.29 0.00 0.00 177.43 176.60 2g0u h TYR 56 N -0.66 0.51 -0.63 0.67 3.20 -0.93 0.06 116.97 119.18 2g0u h TYR 56 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 56 Cb 0.46 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.15 0.14 1.96 -1.64 0.00 0.00 178.16 178.78 2g0u h GLN 57 N 0.49 1.03 -0.28 1.82 1.08 -0.71 0.14 115.11 118.67 2g0u h GLN 57 Ca 0.33 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2g0u h GLN 57 Cb 0.40 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2g0u h GLN 57 CO -0.30 0.94 -0.02 1.98 -0.95 0.00 0.00 178.83 180.48 2g0u h MET 58 N 0.94 0.51 -0.17 1.46 4.05 -0.59 -0.64 114.93 120.49 2g0u h MET 58 Ca 0.20 -0.17 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2g0u h MET 58 Cb 0.38 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2g0u h MET 58 CO 0.01 0.68 -0.57 0.82 0.23 0.00 0.00 176.91 178.08 2g0u h ILE 59 N 0.29 1.33 -0.22 1.77 2.04 -0.95 -2.84 117.51 118.93 2g0u h ILE 59 Ca 0.08 -1.83 -0.11 0.00 1.00 0.00 0.00 64.86 64.00 2g0u h ILE 59 Cb 0.46 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2g0u h ILE 59 CO 0.02 0.57 -0.32 -0.03 0.00 0.00 0.00 178.15 178.39 2g0u h MET 60 N 0.41 0.45 -0.49 2.37 4.05 -0.63 0.18 114.93 121.27 2g0u h MET 60 Ca 0.00 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.27 2g0u h MET 60 Cb 1.11 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.86 2g0u h MET 60 CO 0.11 0.72 0.27 1.03 0.23 0.00 0.00 176.91 179.26 2g0u h SER 61 N 0.39 0.40 -0.29 1.39 0.87 -1.03 0.29 113.55 115.56 2g0u h SER 61 Ca 0.05 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 2g0u h SER 61 Cb 0.75 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2g0u h SER 61 CO 0.06 0.28 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.31 2g0u h GLU 62 N 0.52 0.69 -0.35 2.24 4.81 -1.23 -2.71 114.58 118.54 2g0u h GLU 62 Ca 0.21 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2g0u h GLU 62 Cb 0.09 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2g0u h GLU 62 CO -0.13 0.96 0.16 -0.92 -0.73 0.00 0.00 179.01 178.35 2g0u h TYR 63 N 0.43 0.30 -0.60 0.92 3.20 -0.50 -1.87 116.97 118.85 2g0u h TYR 63 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2g0u h TYR 63 Cb 0.81 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2g0u h TYR 63 CO 0.07 0.15 0.07 -0.97 -1.64 0.00 0.00 178.16 175.84 2g0u h ASN 64 N 0.34 0.98 -0.19 -2.11 -0.73 -0.97 -1.31 115.58 111.59 2g0u h ASN 64 Ca 0.15 -0.28 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 2g0u h ASN 64 Cb 0.08 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 2g0u h ASN 64 CO -0.12 1.01 0.11 0.25 -0.37 0.00 0.00 177.43 178.31 2g0u h LEU 65 N 0.92 0.24 -0.88 0.34 5.85 -1.27 0.01 115.31 120.52 2g0u h LEU 65 Ca 0.18 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2g0u h LEU 65 Cb 0.47 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2g0u h LEU 65 CO 0.02 0.26 -0.10 1.88 -0.34 0.00 0.00 178.44 180.15 2g0u h TYR 66 N 0.21 0.79 -0.21 1.25 -1.99 -1.27 -2.63 116.97 113.11 2g0u h TYR 66 Ca 0.07 -0.14 -0.11 0.00 2.00 0.00 0.00 58.73 60.55 2g0u h TYR 66 Cb 0.07 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2g0u h TYR 66 CO -0.04 0.79 -0.33 0.00 -0.00 0.00 0.00 178.16 178.58 2g0u h ARG 67 N 0.66 0.44 -0.56 4.88 3.08 -1.08 -0.16 114.38 121.65 2g0u h ARG 67 Ca 0.12 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2g0u h ARG 67 Cb 0.56 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2g0u h ARG 67 CO 0.03 0.72 0.37 -0.97 -1.07 0.00 0.00 179.97 179.06 2g0u h ASN 68 N 0.38 0.64 0.63 7.04 -1.24 -0.79 -1.41 115.58 120.83 2g0u h ASN 68 Ca 0.05 -0.02 -0.21 0.00 0.71 0.00 0.00 56.30 56.82 2g0u h ASN 68 Cb 0.77 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 2g0u h ASN 68 CO 0.06 0.47 -0.96 0.00 -1.29 0.00 0.00 177.43 175.71 2g0u h ALA 69 N 1.65 0.41 -0.78 1.57 0.00 -1.14 -3.27 119.26 117.70 2g0u h ALA 69 Ca 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2g0u h ALA 69 Cb -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2g0u h ALA 69 CO -0.04 0.96 0.49 0.37 0.00 0.00 0.00 179.25 181.03 2g0u h GLN 70 N 0.10 1.04 -0.20 0.00 5.75 -0.45 -2.33 115.11 119.02 2g0u h GLN 70 Ca -0.06 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2g0u h GLN 70 Cb 1.62 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 2g0u h GLN 70 CO 0.15 0.71 0.17 0.77 -2.65 0.00 0.00 178.83 177.98 2g0u h SER 71 N 1.07 0.00 0.47 -0.69 0.02 -1.33 -1.59 113.55 111.50 2g0u h SER 71 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2g0u h SER 71 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2g0u h SER 71 CO -0.06 0.00 -0.05 0.28 -1.14 0.00 0.00 176.83 175.86 2g0u h SER 72 N 0.00 0.00 0.31 3.07 0.02 -1.53 -2.26 113.55 113.16 2g0u h SER 72 Ca 0.10 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.81 2g0u h SER 72 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2g0u h SER 72 CO -0.00 0.05 -0.97 0.00 -1.14 0.00 0.00 176.83 174.77 2g0u h ALA 73 N 1.95 0.32 -0.04 3.77 0.00 -1.42 -3.30 119.26 120.54 2g0u h ALA 73 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2g0u h ALA 73 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2g0u h ALA 73 CO 0.01 0.81 -0.13 0.28 0.00 0.00 0.00 179.25 180.22 2g0u h VAL 74 N 0.24 1.12 0.00 0.00 2.07 -1.46 -1.51 116.25 116.71 2g0u h VAL 74 Ca -0.09 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2g0u h VAL 74 Cb 1.61 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2g0u h VAL 74 CO 0.17 0.16 0.13 0.11 0.02 0.00 0.00 177.57 178.15 2g0u h LYS 75 N 0.06 0.00 -0.07 1.57 1.57 -1.60 -1.92 116.57 116.17 2g0u h LYS 75 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2g0u h LYS 75 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2g0u h LYS 75 CO 0.02 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.33 2g0u n SER 76 N -2.34 2.27 -0.24 0.86 7.64 -0.57 -4.80 113.62 116.44 2g0u n SER 76 Ca -0.01 -2.15 0.12 0.00 1.01 0.00 0.00 58.87 57.83 2g0u n SER 76 Cb 0.16 -0.11 0.41 0.00 -1.01 0.00 0.00 64.21 63.66 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g0u h MET 77 N 0.43 0.61 0.00 1.43 -1.53 -1.33 -1.05 114.93 113.49 2g0u h MET 77 Ca 0.00 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.17 2g0u h MET 77 Cb 0.63 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 2g0u h MET 77 CO 0.01 0.41 -0.24 0.87 0.14 0.00 0.00 176.91 178.10 2g0u h LYS 78 N 0.63 0.00 -0.16 0.39 1.79 -1.87 -0.02 116.57 117.33 2g0u h LYS 78 Ca 0.42 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.73 2g0u h LYS 78 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2g0u h LYS 78 CO -0.17 0.24 -0.56 0.22 -1.08 0.00 0.00 179.45 178.09 2g0u h ASP 79 N 0.00 0.55 -0.33 0.86 3.58 -1.56 -1.55 116.42 117.96 2g0u h ASP 79 Ca -0.00 -0.29 -0.17 0.00 0.42 0.00 0.00 57.03 56.99 2g0u h ASP 79 Cb 0.48 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2g0u h ASP 79 CO 0.03 0.99 -0.45 0.40 -2.88 0.00 0.00 179.24 177.34 2g0u h ILE 80 N 0.37 1.28 -0.48 2.25 1.08 -1.30 -3.15 117.51 117.57 2g0u h ILE 80 Ca 0.00 -1.62 -0.02 0.00 -0.39 0.00 0.00 64.86 62.83 2g0u h ILE 80 Cb 1.09 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 2g0u h ILE 80 CO 0.10 0.54 0.20 -0.78 -0.69 0.00 0.00 178.15 177.52 2g0u h ASP 81 N 0.69 0.61 0.31 1.72 3.58 -0.98 -2.66 116.42 119.69 2g0u h ASP 81 Ca 0.04 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2g0u h ASP 81 Cb 1.05 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2g0u h ASP 81 CO 0.10 0.55 0.00 0.28 -2.88 0.00 0.00 179.24 177.29 2g0u h SER 82 N 0.67 0.00 0.00 2.28 0.02 -1.23 -2.72 113.55 112.57 2g0u h SER 82 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2g0u h SER 82 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2g0u h SER 82 CO -0.02 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.47 2g0u n SER 83 N -2.66 0.01 -0.37 3.07 7.64 -1.00 -4.53 113.62 115.77 2g0u n SER 83 Ca -0.01 -1.58 0.37 0.00 1.01 0.00 0.00 58.87 58.66 2g0u n SER 83 Cb 0.13 -0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.07 2g0u n SER 83 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2g0u h ILE 84 N 0.00 0.36 0.00 0.44 2.10 -1.70 -0.16 117.51 118.54 2g0u h ILE 84 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 2g0u h ILE 84 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 2g0u h ILE 84 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2g0u n LEU 85 N -4.18 0.00 0.00 2.19 -0.00 -1.26 -4.81 117.00 108.94 2g0u n LEU 85 Ca 0.28 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 2g0u n LEU 85 Cb 1.33 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 2g0u n LEU 85 CO 0.40 -0.22 0.00 -0.62 -0.00 0.00 0.00 177.39 176.95 2g0u n GLU 86 N -1.41 0.12 -1.69 1.47 1.02 -0.07 -5.13 120.64 114.94 2g0u n GLU 86 Ca 0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.75 2g0u n GLU 86 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.53 2g0u n GLU 86 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2g0u n HIS 87 N 0.00 2.42 -3.91 -0.32 -0.00 -1.26 -4.99 115.22 107.17 2g0u n HIS 87 Ca 0.00 0.31 -0.11 0.00 -0.00 0.00 0.00 57.72 57.92 2g0u n HIS 87 Cb 0.00 -2.54 -0.00 0.00 -0.00 0.00 0.00 29.99 27.45 2g0u n HIS 87 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2g0u s HIS 88 N 0.33 0.44 0.08 1.57 -3.43 -1.26 -4.77 115.29 108.26 2g0u s HIS 88 Ca 0.70 -0.96 -0.06 0.00 -0.80 0.00 0.00 55.06 53.95 2g0u s HIS 88 Cb -0.60 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.04 2g0u s HIS 88 CO 0.45 -1.41 0.12 -1.58 -2.00 0.00 0.00 174.74 170.31 2g0u s HIS 89 N -2.62 0.33 -0.11 0.38 2.46 -1.26 -5.07 115.29 109.40 2g0u s HIS 89 Ca 0.21 -0.79 -0.08 0.00 0.47 0.00 0.00 55.06 54.87 2g0u s HIS 89 Cb -0.03 -0.19 0.04 0.00 -0.13 0.00 0.00 32.58 32.26 2g0u s HIS 89 CO 0.14 -0.50 0.28 -1.58 -2.47 0.00 0.00 174.74 170.61 2g0u s HIS 90 N -3.90 -0.35 0.17 3.88 2.46 -1.26 -3.57 115.29 112.72 2g0u s HIS 90 Ca 0.08 0.82 -0.32 0.00 0.47 0.00 0.00 55.06 56.11 2g0u s HIS 90 Cb 0.06 0.10 -0.11 0.00 -0.13 0.00 0.00 32.58 32.49 2g0u s HIS 90 CO -0.09 -0.20 1.78 -2.39 -2.47 0.00 0.00 174.74 171.36 2g0u n HIS 91 N 3.62 2.70 -1.69 3.88 1.44 -1.26 -5.15 115.22 118.75 2g0u n HIS 91 Ca -0.19 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 2g0u n HIS 91 Cb 0.56 -2.70 0.00 0.00 0.12 0.00 0.00 29.99 27.97 2g0u n HIS 91 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14