#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy n SER 2 N 0.00 1.90 -4.74 1.61 7.64 -1.26 -4.99 113.62 113.79 2dmy n SER 2 Ca 0.00 0.08 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 2dmy n SER 2 Cb 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2dmy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmy s SER 3 N -6.15 7.03 0.00 6.43 0.15 -1.26 -4.23 113.70 115.67 2dmy s SER 3 Ca -0.24 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2dmy s SER 3 Cb 0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dmy s SER 3 CO 0.34 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dmy n GLY 4 N 2.18 0.31 3.33 9.45 0.00 -1.26 -5.10 105.19 114.11 2dmy n GLY 4 Ca 0.05 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 2dmy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmy s SER 5 N -2.27 2.95 -0.10 1.61 0.01 -1.26 -5.00 113.70 109.64 2dmy s SER 5 Ca 0.00 -0.69 -0.13 0.00 1.31 0.00 0.00 55.95 56.44 2dmy s SER 5 Cb 0.00 -0.20 -0.11 0.00 0.21 0.00 0.00 66.02 65.92 2dmy s SER 5 CO 0.00 0.14 0.41 0.28 0.41 0.00 0.00 173.24 174.48 2dmy h SER 6 N 4.14 -0.06 -0.76 2.44 0.02 -1.99 -3.50 113.55 113.84 2dmy h SER 6 Ca -0.48 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2dmy h SER 6 Cb 1.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dmy h SER 6 CO 0.40 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 2dmy n GLY 7 N 1.46 -0.69 3.57 -3.77 0.00 -1.26 -5.04 105.19 99.47 2dmy n GLY 7 Ca -0.05 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2dmy n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmy s ARG 8 N -0.17 3.72 -0.65 1.61 0.52 -1.26 -5.02 118.95 117.71 2dmy s ARG 8 Ca 0.00 0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.14 2dmy s ARG 8 Cb 0.00 -3.78 0.17 0.00 0.52 0.00 0.00 34.95 31.85 2dmy s ARG 8 CO 0.00 -0.64 0.55 0.21 0.02 0.00 0.00 175.30 175.44 2dmy s LYS 9 N 2.54 3.01 -0.09 3.54 2.20 -1.26 -5.04 119.74 124.65 2dmy s LYS 9 Ca 0.22 -2.17 0.04 0.00 -0.36 0.00 0.00 55.97 53.70 2dmy s LYS 9 Cb -0.15 -4.15 -0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2dmy s LYS 9 CO 0.13 -1.25 -0.23 0.42 -0.36 0.00 0.00 175.35 174.06 2dmy s ILE 10 N 0.66 1.97 -0.13 5.43 1.09 -1.26 -5.12 121.20 123.84 2dmy s ILE 10 Ca 0.12 -0.98 -0.11 0.00 -1.10 0.00 0.00 60.65 58.57 2dmy s ILE 10 Cb -0.20 -1.70 0.04 0.00 -1.06 0.00 0.00 42.46 39.54 2dmy s ILE 10 CO -0.04 0.54 0.35 -1.48 -0.10 0.00 0.00 174.94 174.22 2dmy s LEU 11 N 0.23 0.57 -0.28 2.97 0.05 -1.26 -5.16 118.68 115.80 2dmy s LEU 11 Ca -0.14 0.71 -0.16 0.00 0.05 0.00 0.00 54.13 54.59 2dmy s LEU 11 Cb -0.17 1.19 0.09 0.00 -2.05 0.00 0.00 46.19 45.25 2dmy s LEU 11 CO 0.07 -0.13 0.72 -1.81 -0.55 0.00 0.00 176.35 174.64 2dmy s ASP 12 N 0.38 -0.92 -0.65 1.48 1.11 -1.26 -5.05 116.67 111.76 2dmy s ASP 12 Ca -0.02 1.45 0.00 0.00 0.18 0.00 0.00 52.55 54.17 2dmy s ASP 12 Cb -0.04 1.41 0.40 0.00 1.07 0.00 0.00 42.92 45.76 2dmy s ASP 12 CO -0.01 -0.23 1.75 -1.54 1.18 0.00 0.00 175.17 176.32 2dmy n SER 13 N 4.30 6.73 0.10 0.27 3.41 -1.26 -4.70 113.62 122.47 2dmy n SER 13 Ca -0.20 -3.79 0.04 0.00 -0.26 0.00 0.00 58.87 54.66 2dmy n SER 13 Cb 0.59 -0.84 0.46 0.00 -0.26 0.00 0.00 64.21 64.16 2dmy n SER 13 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dmy h LYS 14 N 2.55 0.31 0.00 4.33 1.79 -2.05 -3.43 116.57 120.07 2dmy h LYS 14 Ca 0.50 -0.04 -0.26 0.00 -2.18 0.00 0.00 60.65 58.68 2dmy h LYS 14 Cb 0.59 -0.06 0.12 0.00 -1.58 0.00 0.00 32.23 31.30 2dmy h LYS 14 CO 1.29 0.29 0.17 0.00 -1.08 0.00 0.00 179.45 180.12 2dmy n ALA 15 N -2.50 -1.54 -3.87 3.86 0.00 -1.26 -5.06 120.51 110.14 2dmy n ALA 15 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.08 2dmy n ALA 15 Cb 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 2dmy n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dmy s ILE 16 N -2.56 1.25 -1.63 0.00 1.01 -1.26 -4.77 121.20 113.24 2dmy s ILE 16 Ca 0.46 -1.16 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2dmy s ILE 16 Cb -0.03 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2dmy s ILE 16 CO 0.34 -0.23 0.22 -0.67 0.00 0.00 0.00 174.94 174.59 2dmy n ASP 17 N 4.76 -5.73 -0.01 3.58 -0.08 -1.26 -4.86 116.55 112.95 2dmy n ASP 17 Ca -0.09 -0.10 -0.05 0.00 -1.51 0.00 0.00 54.79 53.04 2dmy n ASP 17 Cb 0.44 -4.73 -0.02 0.00 2.34 0.00 0.00 41.12 39.16 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dmy n LEU 18 N -3.36 1.14 0.24 -2.67 4.77 -1.26 -4.60 117.00 111.27 2dmy n LEU 18 Ca -0.19 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2dmy n LEU 18 Cb 0.65 -0.40 0.49 0.00 -2.33 0.00 0.00 43.42 41.83 2dmy n LEU 18 CO 0.35 -0.34 1.10 0.00 -1.33 0.00 0.00 177.39 177.17 2dmy h MET 19 N -0.33 0.00 -1.00 3.23 -0.00 -1.91 -1.89 114.93 113.04 2dmy h MET 19 Ca -0.08 0.00 0.27 0.00 -0.00 0.00 0.00 59.70 59.89 2dmy h MET 19 Cb 0.61 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 32.02 2dmy h MET 19 CO -0.05 0.00 0.00 -0.91 -0.00 0.00 0.00 176.91 175.96 2dmy h ASN 20 N 0.00 -0.53 0.25 -0.10 2.35 -1.97 0.32 115.58 115.89 2dmy h ASN 20 Ca 0.08 0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2dmy h ASN 20 Cb 1.42 0.51 0.00 0.00 0.05 0.00 0.00 38.32 40.30 2dmy h ASN 20 CO -0.00 -0.36 -0.12 0.00 -1.65 0.00 0.00 177.43 175.30 2dmy h ALA 21 N 2.00 -0.33 -0.64 -0.83 0.00 -1.66 -1.63 119.26 116.16 2dmy h ALA 21 Ca 0.60 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.55 2dmy h ALA 21 Cb 1.21 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 2dmy h ALA 21 CO -0.94 -0.68 -0.18 -0.07 0.00 0.00 0.00 179.25 177.38 2dmy h LEU 22 N -0.35 -0.66 -0.98 0.00 3.38 -0.59 0.22 115.31 116.33 2dmy h LEU 22 Ca -0.03 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2dmy h LEU 22 Cb 0.27 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2dmy h LEU 22 CO 0.06 -0.23 0.39 0.24 0.09 0.00 0.00 178.44 178.99 2dmy h MET 23 N -0.02 1.12 0.79 1.13 2.86 -1.19 -2.97 114.93 116.65 2dmy h MET 23 Ca 0.30 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2dmy h MET 23 Cb 0.48 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2dmy h MET 23 CO -0.67 0.85 -0.39 0.00 1.06 0.00 0.00 176.91 177.77 2dmy h ARG 24 N 1.11 -1.03 -0.99 1.72 2.47 0.34 0.08 114.38 118.09 2dmy h ARG 24 Ca 0.27 0.07 0.31 0.00 -1.26 0.00 0.00 59.98 59.37 2dmy h ARG 24 Cb 0.09 0.23 -0.15 0.00 -1.65 0.00 0.00 29.97 28.50 2dmy h ARG 24 CO -0.04 -0.69 0.52 1.25 0.56 0.00 0.00 179.97 181.57 2dmy h LEU 25 N -1.07 0.44 -0.41 3.04 5.85 -0.96 0.78 115.31 122.97 2dmy h LEU 25 Ca -0.11 0.19 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 2dmy h LEU 25 Cb 0.82 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2dmy h LEU 25 CO 0.18 -0.13 -0.75 0.78 -0.34 0.00 0.00 178.44 178.17 2dmy h ASN 26 N 0.32 0.38 -0.10 1.25 2.35 -1.32 -0.21 115.58 118.25 2dmy h ASN 26 Ca 0.71 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2dmy h ASN 26 Cb 1.57 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.83 2dmy h ASN 26 CO -0.61 1.00 0.05 1.56 -1.65 0.00 0.00 177.43 177.78 2dmy h GLN 27 N 0.21 0.14 0.02 0.81 1.08 0.26 -1.37 115.11 116.25 2dmy h GLN 27 Ca -0.03 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.88 2dmy h GLN 27 Cb 1.33 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 28.75 2dmy h GLN 27 CO 0.12 0.18 -1.07 -0.84 -0.95 0.00 0.00 178.83 176.27 2dmy h ILE 28 N 0.06 1.30 -2.98 2.54 3.07 -1.23 -3.40 117.51 116.87 2dmy h ILE 28 Ca 0.03 -2.32 -0.61 0.00 1.55 0.00 0.00 64.86 63.51 2dmy h ILE 28 Cb 0.08 2.45 -0.40 0.00 -0.27 0.00 0.00 36.82 38.68 2dmy h ILE 28 CO -0.01 0.71 -0.73 -0.13 -1.05 0.00 0.00 178.15 176.95 2dmy s ARG 29 N -3.24 1.46 0.52 0.16 1.81 -0.09 -5.11 118.95 114.45 2dmy s ARG 29 Ca -0.09 -2.24 -0.20 0.00 -1.72 0.00 0.00 55.73 51.47 2dmy s ARG 29 Cb 0.07 -2.48 -0.06 0.00 -0.45 0.00 0.00 34.95 32.03 2dmy s ARG 29 CO 0.92 -1.19 1.14 -1.25 -0.68 0.00 0.00 175.30 174.23 2dmy s PRO 30 N 0.04 3.47 -0.46 3.54 0.04 -0.52 -4.16 135.00 136.95 2dmy s PRO 30 Ca 0.20 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 2dmy s PRO 30 Cb -0.19 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2dmy s PRO 30 CO -0.04 -0.76 0.41 0.41 0.04 0.00 0.00 177.00 177.05 2dmy n GLY 31 N 0.24 -0.20 3.95 0.56 0.00 -1.26 -5.06 105.19 103.42 2dmy n GLY 31 Ca 0.10 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 2dmy n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmy s LEU 32 N -3.86 3.87 -0.04 0.99 1.43 -1.26 -5.13 118.68 114.68 2dmy s LEU 32 Ca 0.17 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2dmy s LEU 32 Cb -0.02 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.62 2dmy s LEU 32 CO 0.35 -0.41 -0.03 0.00 0.23 0.00 0.00 176.35 176.49 2dmy s GLN 33 N -4.12 0.68 -0.07 1.70 -2.07 -1.26 -5.14 119.66 109.37 2dmy s GLN 33 Ca 0.44 -0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.97 2dmy s GLN 33 Cb -0.08 -0.77 -0.02 0.00 -1.09 0.00 0.00 33.01 31.04 2dmy s GLN 33 CO 0.30 -0.12 -0.13 0.71 -1.32 0.00 0.00 175.29 174.72 2dmy s TYR 34 N 1.07 2.75 0.08 9.60 1.51 -1.26 -4.60 117.35 126.50 2dmy s TYR 34 Ca -0.09 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2dmy s TYR 34 Cb -0.14 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2dmy s TYR 34 CO -0.01 0.10 -0.15 0.21 -1.11 0.00 0.00 175.55 174.60 2dmy s LYS 35 N -0.47 0.86 -0.54 -0.62 2.47 -1.05 -4.96 119.74 115.43 2dmy s LYS 35 Ca 0.06 -1.00 -0.16 0.00 -1.56 0.00 0.00 55.97 53.30 2dmy s LYS 35 Cb -0.12 -0.88 0.12 0.00 -1.46 0.00 0.00 37.83 35.50 2dmy s LYS 35 CO 0.02 0.19 0.52 -1.17 0.16 0.00 0.00 175.35 175.07 2dmy s LEU 36 N -1.84 6.06 0.20 5.43 2.96 -1.26 -0.85 118.68 129.38 2dmy s LEU 36 Ca -0.00 -1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 52.03 2dmy s LEU 36 Cb -0.09 -2.22 0.18 0.00 0.50 0.00 0.00 46.19 44.56 2dmy s LEU 36 CO 0.02 -0.88 1.62 -0.07 -1.32 0.00 0.00 176.35 175.73 2dmy h LEU 37 N 9.02 -0.68 -7.00 -0.68 3.38 -1.29 -3.46 115.31 114.60 2dmy h LEU 37 Ca -0.30 0.18 0.23 0.00 0.09 0.00 0.00 57.88 58.09 2dmy h LEU 37 Cb 1.10 0.41 -0.18 0.00 0.09 0.00 0.00 40.66 42.07 2dmy h LEU 37 CO 1.04 -0.23 0.77 -0.55 0.09 0.00 0.00 178.44 179.56 2dmy s SER 38 N -5.20 -0.17 -0.06 -0.43 0.15 -1.25 -5.07 113.70 101.66 2dmy s SER 38 Ca -0.14 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.54 2dmy s SER 38 Cb 0.17 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2dmy s SER 38 CO 0.72 -0.29 -0.14 -1.58 1.20 0.00 0.00 173.24 173.15 2dmy s GLN 39 N -2.51 1.83 0.18 5.44 -0.44 -1.26 -2.84 119.66 120.06 2dmy s GLN 39 Ca 0.09 -0.49 0.01 0.00 -2.50 0.00 0.00 55.36 52.47 2dmy s GLN 39 Cb -0.01 -1.50 -0.05 0.00 -1.64 0.00 0.00 33.01 29.81 2dmy s GLN 39 CO -0.05 0.08 0.03 0.45 0.50 0.00 0.00 175.29 176.29 2dmy s SER 40 N 0.51 1.06 0.00 6.67 0.15 -1.19 -4.94 113.70 115.96 2dmy s SER 40 Ca -0.13 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2dmy s SER 40 Cb -0.15 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dmy s SER 40 CO 0.04 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2dmy n GLY 41 N -0.26 -2.38 1.97 9.45 0.00 -1.26 -0.61 105.19 112.10 2dmy n GLY 41 Ca -0.05 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.67 2dmy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmy n PRO 42 N -0.09 -2.22 0.05 1.61 -0.04 -1.25 -4.79 135.00 128.27 2dmy n PRO 42 Ca 0.00 -0.98 -0.02 0.00 -0.04 0.00 0.00 63.50 62.46 2dmy n PRO 42 Cb 0.00 -0.92 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2dmy n PRO 42 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dmy h VAL 43 N -2.20 0.84 0.00 0.52 3.04 -1.98 -2.84 116.25 113.63 2dmy h VAL 43 Ca -0.23 -2.41 -0.16 0.00 -1.01 0.00 0.00 66.70 62.89 2dmy h VAL 43 Cb 0.71 2.33 -0.03 0.00 -2.01 0.00 0.00 31.29 32.28 2dmy h VAL 43 CO 0.15 0.48 -1.55 0.00 -1.01 0.00 0.00 177.57 175.64 2dmy n HIS 44 N -3.07 0.77 -2.55 3.17 1.44 -1.26 -4.37 115.22 109.35 2dmy n HIS 44 Ca -0.07 0.25 -0.22 0.00 -2.01 0.00 0.00 57.72 55.67 2dmy n HIS 44 Cb 0.87 -1.01 0.01 0.00 0.12 0.00 0.00 29.99 29.98 2dmy n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dmy n ALA 45 N -2.40 4.60 -1.51 1.59 0.00 -1.25 -5.09 120.51 116.44 2dmy n ALA 45 Ca -0.11 -4.02 -0.33 0.00 0.00 0.00 0.00 53.44 48.98 2dmy n ALA 45 Cb 0.82 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 19.67 2dmy n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmy s PRO 46 N -3.42 2.80 -0.37 0.00 0.04 -1.07 -3.89 135.00 129.09 2dmy s PRO 46 Ca 0.43 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2dmy s PRO 46 Cb 0.41 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 33.10 2dmy s PRO 46 CO -0.13 -1.25 0.12 0.08 0.04 0.00 0.00 177.00 175.86 2dmy s VAL 47 N -2.35 2.99 -0.63 -0.36 1.01 0.22 -4.40 120.40 116.89 2dmy s VAL 47 Ca 0.67 -1.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.45 2dmy s VAL 47 Cb -0.20 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.23 2dmy s VAL 47 CO 0.42 -0.54 0.97 -0.36 0.00 0.00 0.00 175.10 175.58 2dmy s PHE 48 N 1.11 2.69 -0.50 5.22 0.40 -0.70 -3.19 117.98 123.01 2dmy s PHE 48 Ca 0.06 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 2dmy s PHE 48 Cb -0.21 -4.23 0.04 0.00 0.51 0.00 0.00 43.02 39.13 2dmy s PHE 48 CO -0.04 -1.58 0.80 0.99 0.70 0.00 0.00 175.22 176.09 2dmy s THR 49 N 4.09 4.61 0.43 0.64 2.01 -1.13 -2.52 115.64 123.76 2dmy s THR 49 Ca 0.25 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2dmy s THR 49 Cb -0.15 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 67.97 2dmy s THR 49 CO 0.13 -0.89 0.61 -0.04 -0.69 0.00 0.00 174.62 173.73 2dmy s MET 50 N 3.37 2.90 -0.14 4.92 -1.94 -1.10 -0.84 119.30 126.48 2dmy s MET 50 Ca 0.26 -0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 53.16 2dmy s MET 50 Cb -0.14 -2.67 0.05 0.00 2.01 0.00 0.00 34.83 34.07 2dmy s MET 50 CO 0.18 -0.27 0.48 -1.54 -0.01 0.00 0.00 175.02 173.86 2dmy s SER 51 N -4.28 -0.47 0.02 3.03 1.04 -0.03 -2.72 113.70 110.28 2dmy s SER 51 Ca 0.51 0.80 -0.07 0.00 0.48 0.00 0.00 55.95 57.67 2dmy s SER 51 Cb -0.10 0.83 -0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dmy s SER 51 CO 0.35 -0.27 0.13 0.54 0.98 0.00 0.00 173.24 174.97 2dmy s VAL 52 N -0.18 0.11 -0.25 5.02 0.11 -0.28 -2.53 120.40 122.40 2dmy s VAL 52 Ca -0.04 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 2dmy s VAL 52 Cb -0.03 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 2dmy s VAL 52 CO 0.02 -0.49 -0.03 -0.62 -3.33 0.00 0.00 175.10 170.66 2dmy s ASP 53 N -1.79 4.44 -0.02 3.54 2.15 -1.26 -0.34 116.67 123.39 2dmy s ASP 53 Ca -0.09 -0.67 0.01 0.00 0.43 0.00 0.00 52.55 52.22 2dmy s ASP 53 Cb -0.04 -1.73 0.02 0.00 -0.30 0.00 0.00 42.92 40.87 2dmy s ASP 53 CO -0.02 -0.10 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.19 2dmy s VAL 54 N 1.41 0.18 -1.41 1.11 1.01 0.21 -4.86 120.40 118.05 2dmy s VAL 54 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2dmy s VAL 54 Cb -0.16 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2dmy s VAL 54 CO -0.03 0.12 0.57 -0.67 0.00 0.00 0.00 175.10 175.10 2dmy n ASP 55 N 3.89 -1.15 -1.06 3.32 -0.08 -1.26 0.47 116.55 120.67 2dmy n ASP 55 Ca -0.24 -0.94 -0.14 0.00 -1.51 0.00 0.00 54.79 51.96 2dmy n ASP 55 Cb 0.52 -3.37 -0.06 0.00 2.34 0.00 0.00 41.12 40.55 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dmy n GLY 56 N -1.80 1.31 3.05 0.27 0.00 -1.26 -4.94 105.19 101.82 2dmy n GLY 56 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2dmy n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmy s THR 57 N -2.17 1.71 -0.19 2.61 2.01 0.18 -5.11 115.64 114.68 2dmy s THR 57 Ca 0.00 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 2dmy s THR 57 Cb 0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2dmy s THR 57 CO 0.00 0.47 0.57 -0.89 -0.69 0.00 0.00 174.62 174.08 2dmy s THR 58 N 1.43 5.08 -0.07 -0.82 2.01 -1.26 -0.62 115.64 121.38 2dmy s THR 58 Ca 0.05 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.12 2dmy s THR 58 Cb -0.13 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2dmy s THR 58 CO -0.11 0.17 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.58 2dmy s TYR 59 N 1.63 2.87 -0.08 4.92 1.51 0.53 -4.95 117.35 123.78 2dmy s TYR 59 Ca 0.27 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2dmy s TYR 59 Cb -0.16 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2dmy s TYR 59 CO 0.10 0.22 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.52 2dmy s GLU 60 N -0.61 0.93 -0.04 -0.62 8.01 -1.26 -1.13 118.70 123.98 2dmy s GLU 60 Ca 0.09 -0.04 0.00 0.00 0.01 0.00 0.00 54.97 55.04 2dmy s GLU 60 Cb -0.11 -1.15 0.02 0.00 -4.31 0.00 0.00 34.13 28.58 2dmy s GLU 60 CO 0.02 -0.26 -0.02 0.00 0.01 0.00 0.00 175.26 175.01 2dmy s ALA 61 N 1.74 0.53 0.08 5.21 0.00 -1.10 -4.97 121.76 123.25 2dmy s ALA 61 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2dmy s ALA 61 Cb -0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2dmy s ALA 61 CO -0.05 -0.12 0.30 -1.54 0.00 0.00 0.00 175.76 174.35 2dmy s SER 62 N 1.16 6.46 0.35 0.00 1.04 -1.26 -2.71 113.70 118.73 2dmy s SER 62 Ca -0.08 0.50 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2dmy s SER 62 Cb -0.14 -2.06 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dmy s SER 62 CO -0.02 0.14 0.46 -0.83 0.98 0.00 0.00 173.24 173.97 2dmy s GLY 63 N -2.25 1.61 0.47 7.32 0.00 -1.05 -4.86 107.32 108.57 2dmy s GLY 63 Ca 0.36 -1.59 0.31 0.00 0.00 0.00 0.00 44.72 43.79 2dmy s GLY 63 CO 0.23 -1.06 1.92 -0.56 0.00 0.00 0.00 173.10 173.64 2dmy h PRO 64 N 2.10 0.00 -2.46 2.90 0.13 -1.90 -1.86 132.00 130.91 2dmy h PRO 64 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2dmy h PRO 64 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 2dmy h PRO 64 CO 0.38 0.00 -0.05 -1.12 -0.23 0.00 0.00 178.00 176.98 2dmy s SER 65 N -5.26 -0.49 0.30 1.44 0.01 -1.26 -4.51 113.70 103.92 2dmy s SER 65 Ca 0.02 0.72 0.03 0.00 1.31 0.00 0.00 55.95 58.03 2dmy s SER 65 Cb 0.09 0.74 0.77 0.00 0.21 0.00 0.00 66.02 67.83 2dmy s SER 65 CO 0.49 -0.38 1.61 0.50 0.41 0.00 0.00 173.24 175.88 2dmy h LYS 66 N 4.26 0.11 -0.29 12.44 3.64 -1.86 0.32 116.57 135.19 2dmy h LYS 66 Ca -0.28 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2dmy h LYS 66 Cb 1.16 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 2dmy h LYS 66 CO 0.29 0.07 -0.14 1.57 -2.27 0.00 0.00 179.45 178.98 2dmy h LYS 67 N 0.11 -0.09 -0.17 1.90 2.10 -1.96 -1.42 116.57 117.04 2dmy h LYS 67 Ca 0.59 0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 59.13 2dmy h LYS 67 Cb 1.25 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 2dmy h LYS 67 CO -0.76 -0.06 -0.41 1.15 -2.00 0.00 0.00 179.45 177.37 2dmy h THR 68 N -0.10 1.31 0.37 0.07 2.02 -0.95 -3.00 112.91 112.64 2dmy h THR 68 Ca 0.15 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 2dmy h THR 68 Cb 0.32 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2dmy h THR 68 CO -0.35 0.48 -0.43 0.00 0.37 0.00 0.00 175.52 175.59 2dmy h ALA 69 N 1.23 -0.92 -1.00 6.16 0.00 0.33 0.18 119.26 125.24 2dmy h ALA 69 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2dmy h ALA 69 Cb 0.87 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 2dmy h ALA 69 CO 0.07 -1.06 0.64 0.87 0.00 0.00 0.00 179.25 179.77 2dmy h LYS 70 N -0.84 1.05 -0.01 0.00 1.57 -1.35 -1.47 116.57 115.52 2dmy h LYS 70 Ca -0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2dmy h LYS 70 Cb 0.76 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2dmy h LYS 70 CO -0.10 0.70 0.01 1.25 -0.57 0.00 0.00 179.45 180.73 2dmy h LEU 71 N 1.08 0.02 -0.73 2.94 5.85 -1.28 -2.57 115.31 120.62 2dmy h LEU 71 Ca 0.46 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.10 2dmy h LEU 71 Cb 0.32 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2dmy h LEU 71 CO -0.21 0.16 0.41 0.45 -0.34 0.00 0.00 178.44 178.91 2dmy h HIS 72 N -0.13 0.76 -0.31 1.25 3.86 -0.09 -2.24 115.15 118.26 2dmy h HIS 72 Ca 0.00 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2dmy h HIS 72 Cb 0.15 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 2dmy h HIS 72 CO -0.03 0.35 0.03 0.28 0.86 0.00 0.00 177.93 179.42 2dmy h VAL 73 N 0.75 0.81 0.08 2.45 2.07 -1.12 -2.73 116.25 118.55 2dmy h VAL 73 Ca 0.33 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.83 2dmy h VAL 73 Cb 0.23 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2dmy h VAL 73 CO -0.20 0.02 -0.21 0.00 0.02 0.00 0.00 177.57 177.21 2dmy h ALA 74 N 1.25 -0.32 -0.96 1.67 0.00 -1.01 -2.28 119.26 117.61 2dmy h ALA 74 Ca 0.15 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.32 2dmy h ALA 74 Cb 0.18 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.13 2dmy h ALA 74 CO -0.22 -0.72 0.20 0.28 0.00 0.00 0.00 179.25 178.78 2dmy h VAL 75 N -0.37 0.11 0.62 0.00 2.07 -1.13 0.56 116.25 118.11 2dmy h VAL 75 Ca 0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 2dmy h VAL 75 Cb 0.41 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2dmy h VAL 75 CO -0.14 0.01 -0.30 0.11 0.02 0.00 0.00 177.57 177.28 2dmy h LYS 76 N 0.07 -0.80 -0.81 1.57 1.57 -1.25 -1.57 116.57 115.34 2dmy h LYS 76 Ca 0.64 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.61 2dmy h LYS 76 Cb 1.40 0.18 -0.14 0.00 0.08 0.00 0.00 32.23 33.75 2dmy h LYS 76 CO -0.81 -0.50 -0.34 0.28 -0.57 0.00 0.00 179.45 177.51 2dmy h VAL 77 N -0.95 0.09 0.02 0.50 2.07 -0.60 0.13 116.25 117.51 2dmy h VAL 77 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2dmy h VAL 77 Cb 0.68 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2dmy h VAL 77 CO 0.14 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2dmy h LEU 78 N -0.06 -0.08 -1.41 2.57 3.38 -1.32 -2.17 115.31 116.22 2dmy h LEU 78 Ca 0.31 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.48 2dmy h LEU 78 Cb 0.59 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2dmy h LEU 78 CO -0.85 -0.04 0.59 1.56 0.09 0.00 0.00 178.44 179.78 2dmy h GLN 79 N -0.06 0.50 -0.51 1.13 4.20 0.10 0.24 115.11 120.71 2dmy h GLN 79 Ca 0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2dmy h GLN 79 Cb 0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2dmy h GLN 79 CO -0.02 0.33 0.09 0.00 -0.67 0.00 0.00 178.83 178.56 2dmy h ALA 80 N 1.61 0.68 0.00 3.87 0.00 -0.22 -2.74 119.26 122.47 2dmy h ALA 80 Ca 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2dmy h ALA 80 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dmy h ALA 80 CO -0.20 0.41 -0.21 0.52 0.00 0.00 0.00 179.25 179.77 2dmy h MET 81 N 0.73 0.00 0.00 0.00 2.86 -0.65 -3.47 114.93 114.40 2dmy h MET 81 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dmy h MET 81 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2dmy h MET 81 CO 0.01 0.21 0.00 0.41 1.06 0.00 0.00 176.91 178.60 2dmy n GLY 82 N 0.82 1.98 3.93 8.32 0.00 0.66 -5.11 105.19 115.79 2dmy n GLY 82 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2dmy n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dmy s TYR 83 N -2.00 3.50 -0.10 1.61 2.02 -0.38 -4.99 117.35 117.03 2dmy s TYR 83 Ca 0.00 0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.64 2dmy s TYR 83 Cb 0.00 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 2dmy s TYR 83 CO 0.00 0.54 1.52 -1.25 -1.57 0.00 0.00 175.55 174.80 2dmy s PRO 84 N -2.81 4.19 -0.14 -1.71 0.04 -1.26 -4.14 135.00 129.16 2dmy s PRO 84 Ca 0.35 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 2dmy s PRO 84 Cb -0.12 -3.91 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 2dmy s PRO 84 CO 0.28 -0.81 -0.14 0.25 0.04 0.00 0.00 177.00 176.62 2dmy n THR 85 N 5.47 0.80 0.00 1.26 -2.24 -1.26 -5.03 114.28 113.28 2dmy n THR 85 Ca 0.16 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2dmy n THR 85 Cb 0.43 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2dmy n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmy n GLY 86 N 2.70 0.80 3.64 3.38 0.00 -1.26 -4.84 105.19 109.60 2dmy n GLY 86 Ca -0.26 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2dmy n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmy s PHE 87 N -0.28 -0.49 0.20 1.61 0.08 -1.26 -5.17 117.98 112.67 2dmy s PHE 87 Ca 0.00 1.20 -0.22 0.00 0.12 0.00 0.00 56.93 58.03 2dmy s PHE 87 Cb 0.00 0.36 0.07 0.00 -0.57 0.00 0.00 43.02 42.87 2dmy s PHE 87 CO 0.00 -0.24 0.97 -0.51 -0.10 0.00 0.00 175.22 175.33 2dmy s ASP 88 N 0.20 -0.07 -1.50 1.36 1.01 -1.26 -4.98 116.67 111.43 2dmy s ASP 88 Ca 0.03 -0.64 -0.13 0.00 0.71 0.00 0.00 52.55 52.52 2dmy s ASP 88 Cb -0.05 0.55 0.07 0.00 1.01 0.00 0.00 42.92 44.51 2dmy s ASP 88 CO -0.05 -1.07 1.03 0.00 0.21 0.00 0.00 175.17 175.29 2dmy n ALA 89 N -0.58 -1.29 -2.46 5.23 0.00 -1.26 -4.90 120.51 115.25 2dmy n ALA 89 Ca -0.05 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 2dmy n ALA 89 Cb 0.60 -4.72 0.01 0.00 0.00 0.00 0.00 19.45 15.34 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dmy n ASP 90 N -2.87 4.08 -3.47 0.00 8.00 -1.26 -5.09 116.55 115.93 2dmy n ASP 90 Ca 0.04 -3.49 -0.37 0.00 0.71 0.00 0.00 54.79 51.68 2dmy n ASP 90 Cb 0.53 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2dmy n ILE 91 N -0.45 1.24 -0.02 0.53 -5.35 -1.26 -4.89 119.36 109.16 2dmy n ILE 91 Ca 0.33 -0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 62.27 2dmy n ILE 91 Cb 0.74 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.50 2dmy n ILE 91 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2dmy n SER 92 N 1.68 1.47 0.00 7.28 7.64 -1.26 -5.10 113.62 125.33 2dmy n SER 92 Ca 0.13 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2dmy n SER 92 Cb 0.24 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2dmy n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmy n GLY 93 N 1.82 0.90 0.00 0.23 0.00 -1.26 -4.81 105.19 102.07 2dmy n GLY 93 Ca -0.27 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 43.91 2dmy n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmy n PRO 94 N 0.00 0.06 -4.75 1.61 -0.04 -1.26 -4.65 135.00 125.98 2dmy n PRO 94 Ca 0.00 0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 2dmy n PRO 94 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2dmy n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmy s SER 95 N -2.87 4.19 0.27 3.54 0.15 -1.26 -5.12 113.70 112.61 2dmy s SER 95 Ca 0.09 -0.23 0.10 0.00 0.70 0.00 0.00 55.95 56.61 2dmy s SER 95 Cb 0.09 -1.36 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 2dmy s SER 95 CO 0.25 0.24 -0.15 -0.94 1.20 0.00 0.00 173.24 173.84 2dmy s SER 96 N -0.11 3.27 0.00 5.45 1.04 -1.26 -4.81 113.70 117.28 2dmy s SER 96 Ca -0.01 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.41 2dmy s SER 96 Cb -0.14 -0.25 0.41 0.00 0.10 0.00 0.00 66.02 66.14 2dmy s SER 96 CO 0.03 -0.10 0.87 0.61 0.98 0.00 0.00 173.24 175.63