#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u s SER 2 N 0.00 0.48 0.81 6.12 1.04 -1.26 -5.17 113.70 115.72 2g0u s SER 2 Ca 0.00 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.02 2g0u s SER 2 Cb 0.00 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2g0u s SER 2 CO 0.00 -1.27 0.97 -0.46 0.98 0.00 0.00 173.24 173.45 2g0u n ASN 3 N -1.05 0.17 -4.78 7.02 6.94 -1.26 -5.03 115.26 117.28 2g0u n ASN 3 Ca -0.01 0.55 -0.31 0.00 -0.02 0.00 0.00 54.58 54.79 2g0u n ASN 3 Cb 0.62 -1.41 0.08 0.00 -2.36 0.00 0.00 39.78 36.71 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 -3.80 2.34 0.96 -0.53 0.04 -1.26 -5.06 135.00 127.69 2g0u s PRO 4 Ca 0.70 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2g0u s PRO 4 Cb -0.29 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.50 2g0u s PRO 4 CO 0.55 -1.56 1.10 -1.25 0.04 0.00 0.00 177.00 175.88 2g0u s PRO 5 N -4.95 0.78 0.07 0.56 0.04 -1.26 -5.11 135.00 125.13 2g0u s PRO 5 Ca 0.61 0.56 0.03 0.00 0.04 0.00 0.00 61.00 62.23 2g0u s PRO 5 Cb -0.16 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2g0u s PRO 5 CO 0.56 -2.50 -0.09 0.95 0.04 0.00 0.00 177.00 175.95 2g0u s THR 6 N -3.01 0.76 0.46 1.26 -4.23 -1.26 -5.16 115.64 104.46 2g0u s THR 6 Ca 0.64 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.58 2g0u s THR 6 Cb -0.18 -1.05 -0.09 0.00 1.34 0.00 0.00 72.50 72.52 2g0u s THR 6 CO 0.57 -0.48 0.93 -2.16 -0.54 0.00 0.00 174.62 172.93 2g0u s PRO 7 N -2.29 4.04 -0.19 3.99 0.04 -1.26 -5.09 135.00 134.24 2g0u s PRO 7 Ca -0.01 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 2g0u s PRO 7 Cb -0.06 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.35 2g0u s PRO 7 CO -0.00 -0.12 0.45 -1.17 0.04 0.00 0.00 177.00 176.19 2g0u s LEU 8 N -3.63 -0.26 -0.05 -3.56 1.98 -1.26 -5.18 118.68 106.72 2g0u s LEU 8 Ca 0.59 0.99 -0.11 0.00 -2.89 0.00 0.00 54.13 52.71 2g0u s LEU 8 Cb -0.10 1.49 0.02 0.00 0.66 0.00 0.00 46.19 48.27 2g0u s LEU 8 CO 0.23 -0.20 0.26 -0.22 -1.89 0.00 0.00 176.35 174.53 2g0u s LEU 9 N 1.54 1.04 0.00 -0.68 2.96 -1.26 -5.06 118.68 117.22 2g0u s LEU 9 Ca -0.09 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2g0u s LEU 9 Cb -0.08 0.99 0.00 0.00 0.50 0.00 0.00 46.19 47.60 2g0u s LEU 9 CO -0.14 -0.26 0.06 0.00 -1.32 0.00 0.00 176.35 174.69 2g0u n ALA 10 N 2.11 0.38 0.10 5.97 0.00 -1.26 -4.86 120.51 122.96 2g0u n ALA 10 Ca -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 2g0u n ALA 10 Cb 0.57 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.26 2g0u n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2g0u h ASP 11 N 0.00 0.22 -5.12 0.00 3.58 -2.09 -3.46 116.42 109.54 2g0u h ASP 11 Ca 0.00 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 2g0u h ASP 11 Cb 0.31 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.20 2g0u h ASP 11 CO 0.00 0.61 -0.03 -0.72 -2.88 0.00 0.00 179.24 176.22 2g0u s TYR 12 N -4.14 -0.02 0.00 0.28 -0.85 -1.26 -5.08 117.35 106.29 2g0u s TYR 12 Ca -0.04 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2g0u s TYR 12 Cb 0.13 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.79 2g0u s TYR 12 CO 0.77 -0.89 0.00 -1.91 -1.52 0.00 0.00 175.55 171.99 2g0u n GLU 13 N -0.32 0.00 0.00 -3.49 2.13 -1.26 -4.92 120.64 112.77 2g0u n GLU 13 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2g0u n GLU 13 Cb 0.62 -0.25 0.00 0.00 0.27 0.00 0.00 31.44 32.09 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 0.00 0.00 0.13 4.31 4.27 -1.26 -4.84 117.44 120.05 2g0u n TRP 14 Ca 0.00 -0.17 0.16 0.00 -3.89 0.00 0.00 57.50 53.60 2g0u n TRP 14 Cb 0.14 -0.02 0.71 0.00 -1.36 0.00 0.00 31.31 30.79 2g0u n TRP 14 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2g0u h SER 15 N 0.00 0.00 -0.89 -0.67 0.87 -2.00 -1.08 113.55 109.78 2g0u h SER 15 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2g0u h SER 15 Cb 0.56 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.46 2g0u h SER 15 CO 0.00 0.00 0.55 1.23 -0.53 0.00 0.00 176.83 178.08 2g0u h GLY 16 N 0.00 1.37 1.35 5.77 0.00 -1.99 -0.44 103.07 109.13 2g0u h GLY 16 Ca 0.13 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 2g0u h GLY 16 CO -0.00 0.23 -0.47 -1.82 0.00 0.00 0.00 176.54 174.48 2g0u h TYR 17 N 0.96 0.86 -0.39 5.60 3.20 -1.59 -1.46 116.97 124.15 2g0u h TYR 17 Ca 0.40 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2g0u h TYR 17 Cb 0.25 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2g0u h TYR 17 CO -0.03 1.04 0.16 1.25 -1.64 0.00 0.00 178.16 178.94 2g0u h LEU 18 N 0.56 0.53 -1.57 2.82 5.85 -1.29 -2.31 115.31 119.90 2g0u h LEU 18 Ca 0.03 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2g0u h LEU 18 Cb 1.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2g0u h LEU 18 CO 0.10 0.55 -0.20 0.74 -0.34 0.00 0.00 178.44 179.28 2g0u h THR 19 N 0.48 0.72 -0.81 1.05 2.02 -1.11 -3.24 112.91 112.03 2g0u h THR 19 Ca 0.13 -0.85 0.23 0.00 0.77 0.00 0.00 66.41 66.70 2g0u h THR 19 Cb 0.18 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2g0u h THR 19 CO -0.01 0.20 0.62 1.23 0.37 0.00 0.00 175.52 177.93 2g0u h GLY 20 N 1.21 0.00 2.00 2.16 0.00 -0.66 -0.59 103.07 107.19 2g0u h GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g0u h GLY 20 CO 0.03 0.00 0.00 1.19 0.00 0.00 0.00 176.54 177.76 2g0u h ILE 21 N 0.00 0.00 -0.90 2.60 6.09 -1.65 -3.35 117.51 120.30 2g0u h ILE 21 Ca 0.38 -0.11 0.25 0.00 -1.37 0.00 0.00 64.86 64.01 2g0u h ILE 21 Cb 1.62 0.81 -0.15 0.00 0.47 0.00 0.00 36.82 39.57 2g0u h ILE 21 CO -0.00 0.00 0.26 1.23 -3.07 0.00 0.00 178.15 176.57 2g0u h GLY 22 N 0.80 1.45 1.86 8.18 0.00 -1.37 0.65 103.07 114.63 2g0u h GLY 22 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2g0u h GLY 22 CO 0.00 -0.40 0.06 0.07 0.00 0.00 0.00 176.54 176.27 2g0u h ARG 23 N 0.20 0.00 0.00 4.80 -0.00 -1.84 -1.67 114.38 115.87 2g0u h ARG 23 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.56 2g0u h ARG 23 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2g0u h ARG 23 CO -0.67 0.00 -0.97 0.00 -0.00 0.00 0.00 179.97 178.32 2g0u n ALA 24 N -1.90 1.96 0.13 0.08 0.00 0.02 -4.60 120.51 116.20 2g0u n ALA 24 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2g0u n ALA 24 Cb 0.11 0.08 0.19 0.00 0.00 0.00 0.00 19.45 19.84 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 0.08 0.00 0.00 3.57 -0.80 -3.04 116.94 116.74 2g0u h PHE 25 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2g0u h PHE 25 Cb 0.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2g0u h PHE 25 CO 0.00 0.61 0.00 -3.47 -2.23 0.00 0.00 178.31 173.22 2g0u n ASP 26 N -3.88 0.00 0.32 0.41 2.03 -0.64 -4.27 116.55 110.52 2g0u n ASP 26 Ca -0.02 -0.09 0.20 0.00 0.52 0.00 0.00 54.79 55.40 2g0u n ASP 26 Cb 0.57 -0.19 1.04 0.00 -0.72 0.00 0.00 41.12 41.83 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2g0u h ASP 27 N 0.00 0.00 -0.34 1.67 3.58 -1.80 0.27 116.42 119.80 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 27 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2g0u n GLY 28 N -1.17 2.96 0.00 -0.78 0.00 -1.26 -4.48 105.19 100.45 2g0u n GLY 28 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.37 0.00 0.13 1.61 0.31 -0.10 -4.78 118.33 115.88 2g0u n VAL 29 Ca 0.13 -0.23 0.19 0.00 -0.01 0.00 0.00 64.34 64.43 2g0u n VAL 29 Cb 0.50 1.30 0.74 0.00 -0.91 0.00 0.00 33.84 35.47 2g0u n VAL 29 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2g0u h LYS 30 N 0.00 0.00 -0.82 5.55 2.10 -0.78 -0.36 116.57 122.27 2g0u h LYS 30 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2g0u h LYS 30 Cb 0.15 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.44 2g0u h LYS 30 CO 0.00 0.00 0.38 0.22 -2.00 0.00 0.00 179.45 178.05 2g0u h ASP 31 N 0.00 1.08 0.51 7.07 3.58 -1.86 0.96 116.42 127.76 2g0u h ASP 31 Ca 0.17 -0.15 -0.30 0.00 0.42 0.00 0.00 57.03 57.18 2g0u h ASP 31 Cb 1.08 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 41.87 2g0u h ASP 31 CO -0.00 0.93 -1.33 0.25 -2.88 0.00 0.00 179.24 176.21 2g0u h LEU 32 N 1.17 0.57 -1.11 2.28 6.46 -1.48 -3.14 115.31 120.06 2g0u h LEU 32 Ca 0.28 -0.61 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2g0u h LEU 32 Cb 0.14 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 2g0u h LEU 32 CO -0.03 1.48 0.44 -1.13 -0.62 0.00 0.00 178.44 178.58 2g0u h ASN 33 N 0.10 0.94 -0.38 1.25 -0.73 -1.13 -0.33 115.58 115.31 2g0u h ASN 33 Ca -0.18 -0.07 0.02 0.00 1.87 0.00 0.00 56.30 57.95 2g0u h ASN 33 Cb 2.04 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 40.37 2g0u h ASN 33 CO 0.23 0.74 0.21 0.50 -0.37 0.00 0.00 177.43 178.74 2g0u h LYS 34 N 1.08 0.41 -0.84 6.67 3.64 -0.91 0.57 116.57 127.19 2g0u h LYS 34 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2g0u h LYS 34 Cb -0.01 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2g0u h LYS 34 CO -0.05 0.27 0.45 1.96 -2.27 0.00 0.00 179.45 179.82 2g0u h GLN 35 N 0.42 1.18 -0.10 1.90 4.20 -1.31 -0.41 115.11 121.00 2g0u h GLN 35 Ca 0.15 -0.14 -0.23 0.00 0.06 0.00 0.00 58.65 58.49 2g0u h GLN 35 Cb 0.03 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.59 2g0u h GLN 35 CO -0.09 0.88 -0.85 1.25 -0.67 0.00 0.00 178.83 179.35 2g0u h LEU 36 N 1.18 0.87 -1.16 1.46 5.85 -0.82 -0.76 115.31 121.93 2g0u h LEU 36 Ca 0.30 -0.61 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2g0u h LEU 36 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2g0u h LEU 36 CO -0.05 1.40 -0.36 1.56 -0.34 0.00 0.00 178.44 180.65 2g0u h GLN 37 N 0.46 0.10 -0.41 1.25 4.20 -0.85 0.20 115.11 120.06 2g0u h GLN 37 Ca -0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 2g0u h GLN 37 Cb 1.48 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 2g0u h GLN 37 CO 0.17 0.45 -0.17 0.22 -0.67 0.00 0.00 178.83 178.83 2g0u h ASP 38 N 0.09 0.78 -0.29 1.46 3.58 -0.94 0.72 116.42 121.82 2g0u h ASP 38 Ca 0.01 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2g0u h ASP 38 Cb 0.69 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2g0u h ASP 38 CO 0.05 0.95 0.19 0.00 -2.88 0.00 0.00 179.24 177.55 2g0u h ALA 39 N 1.11 0.36 0.00 -0.78 0.00 -0.65 -1.13 119.26 118.17 2g0u h ALA 39 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2g0u h ALA 39 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2g0u h ALA 39 CO 0.05 -0.16 -0.12 0.37 0.00 0.00 0.00 179.25 179.39 2g0u h GLN 40 N 0.38 0.00 0.23 0.00 4.15 -0.71 0.76 115.11 119.91 2g0u h GLN 40 Ca 0.10 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.20 2g0u h GLN 40 Cb -0.03 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.69 2g0u h GLN 40 CO -0.02 0.12 -1.44 0.00 -1.93 0.00 0.00 178.83 175.56 2g0u h ALA 41 N 1.88 -0.09 -0.39 3.38 0.00 -0.54 0.43 119.26 123.93 2g0u h ALA 41 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2g0u h ALA 41 Cb 0.39 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2g0u h ALA 41 CO 0.02 0.77 0.11 -0.91 0.00 0.00 0.00 179.25 179.23 2g0u h ASN 42 N 0.13 0.52 -0.05 0.00 2.35 -0.82 -0.82 115.58 116.89 2g0u h ASN 42 Ca -0.23 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.32 2g0u h ASN 42 Cb 2.13 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.35 2g0u h ASN 42 CO 0.26 0.51 -0.40 0.25 -1.65 0.00 0.00 177.43 176.40 2g0u h LEU 43 N 0.56 0.59 -0.91 1.61 5.85 -0.89 -3.18 115.31 118.95 2g0u h LEU 43 Ca 0.13 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 43 Cb 0.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2g0u h LEU 43 CO -0.01 0.93 0.23 0.74 -0.34 0.00 0.00 178.44 179.99 2g0u h THR 44 N 0.47 1.24 -0.29 1.05 2.02 0.12 0.21 112.91 117.73 2g0u h THR 44 Ca 0.04 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.41 2g0u h THR 44 Cb 0.89 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2g0u h THR 44 CO 0.08 0.32 0.19 0.11 0.37 0.00 0.00 175.52 176.59 2g0u h LYS 45 N 1.00 0.36 -1.63 6.66 1.79 -1.22 -3.37 116.57 120.16 2g0u h LYS 45 Ca 0.22 -0.02 -0.29 0.00 -2.18 0.00 0.00 60.65 58.39 2g0u h LYS 45 Cb 0.25 -0.08 -0.27 0.00 -1.58 0.00 0.00 32.23 30.55 2g0u h LYS 45 CO -0.01 0.24 -0.63 1.21 -1.08 0.00 0.00 179.45 179.18 2g0u s ASN 46 N -6.79 0.18 0.61 0.86 2.47 -0.69 -5.07 114.94 106.51 2g0u s ASN 46 Ca -0.07 -1.56 0.26 0.00 0.42 0.00 0.00 52.86 51.90 2g0u s ASN 46 Cb 0.17 0.99 1.18 0.00 -1.45 0.00 0.00 41.25 42.14 2g0u s ASN 46 CO 0.71 -0.20 1.61 -0.65 -3.72 0.00 0.00 177.10 174.86 2g0u h PRO 47 N 6.62 0.00 -0.06 0.43 0.11 -0.80 0.63 132.00 138.93 2g0u h PRO 47 Ca 0.07 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 2g0u h PRO 47 Cb 1.08 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.97 2g0u h PRO 47 CO 0.16 0.00 -0.79 -1.13 -0.21 0.00 0.00 178.00 176.04 2g0u n SER 48 N -3.35 1.54 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.32 2g0u n SER 48 Ca 0.12 -2.95 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 2g0u n SER 48 Cb 0.97 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.72 6.50 0.41 4.04 -1.08 0.21 -4.91 116.67 119.12 2g0u s ASP 49 Ca 0.36 2.64 0.21 0.00 -0.52 0.00 0.00 52.55 55.24 2g0u s ASP 49 Cb 0.38 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 40.15 2g0u s ASP 49 CO -0.11 -0.96 1.83 1.55 0.52 0.00 0.00 175.17 178.00 2g0u h PRO 50 N 8.53 0.00 0.14 4.34 0.13 -1.96 0.13 132.00 143.30 2g0u h PRO 50 Ca -0.45 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2g0u h PRO 50 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.94 0.30 -1.16 1.15 -0.23 0.00 0.00 178.00 179.00 2g0u h THR 51 N 0.00 1.33 -0.85 1.56 2.02 -1.97 0.82 112.91 115.82 2g0u h THR 51 Ca -0.00 -2.47 0.08 0.00 0.77 0.00 0.00 66.41 64.79 2g0u h THR 51 Cb 0.73 2.83 -0.07 0.00 -1.74 0.00 0.00 68.15 69.90 2g0u h THR 51 CO 0.04 0.74 0.51 0.00 0.37 0.00 0.00 175.52 177.18 2g0u h ALA 52 N 0.23 1.20 0.13 6.16 0.00 -1.82 0.23 119.26 125.40 2g0u h ALA 52 Ca -0.18 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 2g0u h ALA 52 Cb 1.86 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.47 2g0u h ALA 52 CO 0.22 0.19 -1.24 1.25 0.00 0.00 0.00 179.25 179.67 2g0u h LEU 53 N 0.89 0.45 -0.73 0.00 5.85 -0.78 0.25 115.31 121.24 2g0u h LEU 53 Ca 0.39 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 53 Cb 0.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2g0u h LEU 53 CO -0.21 1.36 0.38 0.00 -0.34 0.00 0.00 178.44 179.63 2g0u h ALA 54 N 0.57 0.93 0.27 1.25 0.00 -0.66 0.98 119.26 122.59 2g0u h ALA 54 Ca -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2g0u h ALA 54 Cb 1.96 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2g0u h ALA 54 CO 0.21 0.47 -0.13 -0.97 0.00 0.00 0.00 179.25 178.83 2g0u h ASN 55 N 1.01 -0.31 -0.60 0.00 -1.24 -0.45 0.21 115.58 114.20 2g0u h ASN 55 Ca 0.25 -0.15 0.09 0.00 0.71 0.00 0.00 56.30 57.20 2g0u h ASN 55 Cb 0.07 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.14 2g0u h ASN 55 CO -0.04 -0.01 0.24 0.22 -1.29 0.00 0.00 177.43 176.55 2g0u h TYR 56 N -0.62 0.41 -0.45 0.67 5.03 -0.93 0.27 116.97 121.36 2g0u h TYR 56 Ca -0.04 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 2g0u h TYR 56 Cb 0.44 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 2g0u h TYR 56 CO 0.01 0.12 -0.06 1.96 -1.32 0.00 0.00 178.16 178.87 2g0u h GLN 57 N 0.43 0.78 -0.16 1.82 1.08 -0.68 0.13 115.11 118.51 2g0u h GLN 57 Ca 0.30 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2g0u h GLN 57 Cb 0.35 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2g0u h GLN 57 CO -0.29 0.83 -0.12 1.98 -0.95 0.00 0.00 178.83 180.28 2g0u h MET 58 N 0.72 0.37 -0.27 1.46 4.05 -0.51 -0.04 114.93 120.71 2g0u h MET 58 Ca 0.13 -0.18 -0.13 0.00 -0.28 0.00 0.00 59.70 59.24 2g0u h MET 58 Cb 0.52 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 2g0u h MET 58 CO 0.03 0.72 -0.35 0.82 0.23 0.00 0.00 176.91 178.36 2g0u h ILE 59 N 0.03 1.29 -0.19 1.77 2.04 -0.92 -2.40 117.51 119.13 2g0u h ILE 59 Ca 0.03 -1.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.30 2g0u h ILE 59 Cb 0.63 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2g0u h ILE 59 CO 0.03 0.47 -0.34 -0.03 0.00 0.00 0.00 178.15 178.29 2g0u h MET 60 N 0.51 0.40 -0.27 2.37 4.05 -0.69 0.13 114.93 121.42 2g0u h MET 60 Ca 0.05 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2g0u h MET 60 Cb 0.84 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 2g0u h MET 60 CO 0.07 0.69 0.17 0.77 0.23 0.00 0.00 176.91 178.85 2g0u h SER 61 N 0.34 0.32 -0.37 1.39 0.02 -0.79 0.66 113.55 115.12 2g0u h SER 61 Ca 0.04 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2g0u h SER 61 Cb 0.76 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2g0u h SER 61 CO 0.06 0.26 0.13 -0.08 -1.14 0.00 0.00 176.83 176.06 2g0u h GLU 62 N 0.36 0.56 -0.25 3.45 4.57 -1.15 -1.37 114.58 120.74 2g0u h GLU 62 Ca 0.10 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2g0u h GLU 62 Cb -0.01 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2g0u h GLU 62 CO -0.02 0.56 0.07 -0.92 -1.18 0.00 0.00 179.01 177.52 2g0u h TYR 63 N 0.45 0.12 -0.22 0.92 3.20 -0.63 -1.14 116.97 119.67 2g0u h TYR 63 Ca 0.12 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.81 2g0u h TYR 63 Cb 0.22 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2g0u h TYR 63 CO 0.00 0.05 -0.63 -0.97 -1.64 0.00 0.00 178.16 174.98 2g0u h ASN 64 N 0.18 0.88 -0.23 -2.11 -1.24 -0.83 -2.36 115.58 109.88 2g0u h ASN 64 Ca 0.11 -0.51 -0.01 0.00 0.71 0.00 0.00 56.30 56.60 2g0u h ASN 64 Cb 0.10 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2g0u h ASN 64 CO -0.13 1.29 0.10 0.25 -1.29 0.00 0.00 177.43 177.66 2g0u h LEU 65 N 0.58 0.30 -0.53 0.34 6.46 -1.15 -0.28 115.31 121.02 2g0u h LEU 65 Ca -0.01 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2g0u h LEU 65 Cb 1.23 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 2g0u h LEU 65 CO 0.13 0.35 0.35 0.22 -0.62 0.00 0.00 178.44 178.87 2g0u h TYR 66 N 0.23 0.66 -0.66 1.25 3.20 -1.20 -0.08 116.97 120.37 2g0u h TYR 66 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2g0u h TYR 66 Cb 0.13 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2g0u h TYR 66 CO -0.02 0.42 0.28 0.00 -1.64 0.00 0.00 178.16 177.20 2g0u h ARG 67 N 0.72 0.97 -0.86 1.82 3.08 -1.31 -0.69 114.38 118.10 2g0u h ARG 67 Ca 0.20 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2g0u h ARG 67 Cb -0.08 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 2g0u h ARG 67 CO -0.05 0.80 0.44 -0.97 -1.07 0.00 0.00 179.97 179.12 2g0u h ASN 68 N 0.92 1.11 -0.08 7.04 -1.24 -0.77 -1.95 115.58 120.61 2g0u h ASN 68 Ca 0.22 -0.12 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 2g0u h ASN 68 Cb 0.17 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2g0u h ASN 68 CO -0.02 0.92 -0.25 0.00 -1.29 0.00 0.00 177.43 176.79 2g0u h ALA 69 N 1.24 1.08 -0.20 1.57 0.00 -0.65 -0.80 119.26 121.49 2g0u h ALA 69 Ca 0.30 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g0u h ALA 69 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g0u h ALA 69 CO -0.04 0.57 0.11 0.37 0.00 0.00 0.00 179.25 180.25 2g0u h GLN 70 N 0.45 0.28 -0.04 0.00 -0.00 -0.86 -0.22 115.11 114.72 2g0u h GLN 70 Ca 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 2g0u h GLN 70 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.10 2g0u h GLN 70 CO 0.05 0.27 -0.11 0.77 0.00 0.00 0.00 178.83 179.82 2g0u h SER 71 N 0.21 0.05 -0.13 -0.69 0.02 -1.16 -1.95 113.55 109.90 2g0u h SER 71 Ca 0.07 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2g0u h SER 71 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2g0u h SER 71 CO -0.01 0.16 -0.33 -1.28 -1.14 0.00 0.00 176.83 174.24 2g0u h SER 72 N 0.05 0.52 -0.54 3.07 0.87 -0.86 -3.28 113.55 113.37 2g0u h SER 72 Ca 0.01 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 2g0u h SER 72 Cb 0.22 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2g0u h SER 72 CO 0.01 1.00 0.32 0.00 -0.53 0.00 0.00 176.83 177.64 2g0u h ALA 73 N 0.53 1.51 -0.44 6.23 0.00 -0.72 -1.79 119.26 124.58 2g0u h ALA 73 Ca -0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2g0u h ALA 73 Cb 0.93 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2g0u h ALA 73 CO 0.07 0.42 0.30 0.28 0.00 0.00 0.00 179.25 180.32 2g0u h VAL 74 N 0.78 0.93 -0.27 0.00 2.07 -1.43 -1.28 116.25 117.04 2g0u h VAL 74 Ca 0.20 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2g0u h VAL 74 Cb -0.00 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2g0u h VAL 74 CO -0.04 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.90 2g0u n LYS 75 N -4.47 2.12 0.00 1.57 5.02 -0.70 -4.17 118.16 117.53 2g0u n LYS 75 Ca 0.06 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 2g0u n LYS 75 Cb 0.29 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2g0u n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2g0u n SER 76 N 0.91 1.09 -0.26 4.39 7.64 -0.57 -4.90 113.62 121.93 2g0u n SER 76 Ca 0.17 -1.35 0.07 0.00 1.01 0.00 0.00 58.87 58.78 2g0u n SER 76 Cb 0.47 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.00 0.83 -0.37 1.43 -1.53 -1.49 -1.40 114.93 112.40 2g0u h MET 77 Ca 0.00 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.15 2g0u h MET 77 Cb 0.36 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2g0u h MET 77 CO 0.00 0.55 0.02 -0.22 0.14 0.00 0.00 176.91 177.39 2g0u h LYS 78 N 0.85 0.64 -0.75 0.39 3.11 -1.90 -0.48 116.57 118.43 2g0u h LYS 78 Ca 0.39 -0.20 -0.05 0.00 -2.81 0.00 0.00 60.65 57.98 2g0u h LYS 78 Cb 0.37 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 2g0u h LYS 78 CO -0.15 0.74 0.27 -0.44 -2.81 0.00 0.00 179.45 177.05 2g0u h ASP 79 N 0.47 1.06 -0.52 4.20 3.32 -1.73 -1.11 116.42 122.10 2g0u h ASP 79 Ca 0.11 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 2g0u h ASP 79 Cb 0.44 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2g0u h ASP 79 CO 0.02 0.97 -0.01 0.40 -1.72 0.00 0.00 179.24 178.89 2g0u h ILE 80 N 1.09 1.26 -0.61 0.35 2.04 -1.18 -0.85 117.51 119.61 2g0u h ILE 80 Ca 0.24 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 2g0u h ILE 80 Cb 0.26 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2g0u h ILE 80 CO -0.01 0.40 0.02 -0.78 0.00 0.00 0.00 178.15 177.78 2g0u h ASP 81 N 0.88 1.04 -0.19 1.72 3.58 -0.82 -2.50 116.42 120.13 2g0u h ASP 81 Ca 0.16 -0.28 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 2g0u h ASP 81 Cb 0.53 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2g0u h ASP 81 CO 0.03 1.07 -0.23 0.28 -2.88 0.00 0.00 179.24 177.51 2g0u h SER 82 N 0.98 0.65 -2.02 2.28 0.02 -1.03 -3.43 113.55 110.99 2g0u h SER 82 Ca 0.18 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2g0u h SER 82 Cb 0.53 -0.18 -0.23 0.00 0.14 0.00 0.00 62.40 62.66 2g0u h SER 82 CO 0.03 0.87 -0.24 -0.55 -1.14 0.00 0.00 176.83 175.79 2g0u s SER 83 N -6.77 -0.81 0.00 3.07 0.15 -0.34 -5.07 113.70 103.92 2g0u s SER 83 Ca -0.08 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.77 2g0u s SER 83 Cb 0.13 1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 66.31 2g0u s SER 83 CO 0.81 -0.23 2.10 0.00 1.20 0.00 0.00 173.24 177.12 2g0u n ILE 84 N 5.42 1.97 -4.35 6.45 3.06 -0.95 -4.03 119.36 126.93 2g0u n ILE 84 Ca -0.09 -0.64 -0.19 0.00 -2.50 0.00 0.00 62.75 59.33 2g0u n ILE 84 Cb 0.49 -1.55 -0.15 0.00 0.54 0.00 0.00 39.64 38.97 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2g0u s LEU 85 N 0.00 1.92 0.43 9.51 1.43 -1.26 -5.05 118.68 125.66 2g0u s LEU 85 Ca 0.13 -0.16 0.16 0.00 -1.03 0.00 0.00 54.13 53.23 2g0u s LEU 85 Cb 0.06 -0.47 1.07 0.00 0.03 0.00 0.00 46.19 46.88 2g0u s LEU 85 CO 0.00 0.09 1.93 -0.08 0.23 0.00 0.00 176.35 178.52 2g0u h GLU 86 N 6.12 0.38 0.00 1.70 4.81 -1.99 -2.46 114.58 123.13 2g0u h GLU 86 Ca -0.32 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2g0u h GLU 86 Cb 1.18 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2g0u h GLU 86 CO 0.49 0.25 -0.00 0.45 -0.73 0.00 0.00 179.01 179.47 2g0u h HIS 87 N 0.39 0.00 -0.00 0.92 3.86 -1.96 -3.02 115.15 115.34 2g0u h HIS 87 Ca 0.35 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.40 2g0u h HIS 87 Cb 0.82 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 2g0u h HIS 87 CO -0.00 0.00 -0.78 1.25 0.86 0.00 0.00 177.93 179.26 2g0u h HIS 88 N 0.00 0.06 -2.26 2.45 -0.00 -1.75 -3.42 115.15 110.23 2g0u h HIS 88 Ca -0.00 -0.03 -0.52 0.00 -0.00 0.00 0.00 60.37 59.81 2g0u h HIS 88 Cb 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 2g0u h HIS 88 CO 0.00 0.80 1.31 -1.58 -0.00 0.00 0.00 177.93 178.46 2g0u s HIS 89 N -3.27 1.77 0.16 5.26 5.04 -1.14 -4.94 115.29 118.16 2g0u s HIS 89 Ca -0.01 0.73 -0.16 0.00 -1.54 0.00 0.00 55.06 54.07 2g0u s HIS 89 Cb 0.11 -4.13 0.03 0.00 0.04 0.00 0.00 32.58 28.64 2g0u s HIS 89 CO 0.79 -2.43 0.45 -1.58 -2.34 0.00 0.00 174.74 169.64 2g0u s HIS 90 N 8.20 -0.12 0.30 3.88 2.46 -1.26 -5.07 115.29 123.68 2g0u s HIS 90 Ca 0.69 -0.21 0.26 0.00 0.47 0.00 0.00 55.06 56.27 2g0u s HIS 90 Cb -0.15 0.30 1.24 0.00 -0.13 0.00 0.00 32.58 33.83 2g0u s HIS 90 CO 0.25 -0.80 1.97 1.25 -2.47 0.00 0.00 174.74 174.93 2g0u h HIS 91 N 2.30 0.00 0.00 3.88 2.76 -2.00 -3.54 115.15 118.54 2g0u h HIS 91 Ca -0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 2g0u h HIS 91 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2g0u h HIS 91 CO 0.34 0.17 0.00 1.58 -1.30 0.00 0.00 177.93 178.72