#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy s SER 2 N 0.00 6.11 0.13 1.61 0.15 -1.26 -5.03 113.70 115.41 2dmy s SER 2 Ca 0.00 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 2dmy s SER 2 Cb 0.00 -2.16 0.08 0.00 -1.71 0.00 0.00 66.02 62.23 2dmy s SER 2 CO 0.00 -0.21 1.05 -0.94 1.20 0.00 0.00 173.24 174.34 2dmy s SER 3 N 1.73 -0.09 1.53 5.45 1.04 -1.26 -5.12 113.70 116.98 2dmy s SER 3 Ca 0.09 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2dmy s SER 3 Cb -0.17 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2dmy s SER 3 CO 0.11 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2dmy n GLY 4 N -0.56 3.60 3.50 7.32 0.00 -1.26 -4.57 105.19 113.21 2dmy n GLY 4 Ca -0.05 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2dmy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmy s SER 5 N -4.00 4.04 -0.30 1.61 1.04 -1.26 -5.11 113.70 109.73 2dmy s SER 5 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2dmy s SER 5 Cb 0.00 -0.76 0.09 0.00 0.10 0.00 0.00 66.02 65.45 2dmy s SER 5 CO 0.00 0.27 0.06 -0.44 0.98 0.00 0.00 173.24 174.11 2dmy s SER 6 N -1.37 4.05 -0.40 7.02 0.01 -1.26 -5.05 113.70 116.71 2dmy s SER 6 Ca 0.15 -1.61 0.05 0.00 1.31 0.00 0.00 55.95 55.86 2dmy s SER 6 Cb -0.11 -1.03 0.17 0.00 0.21 0.00 0.00 66.02 65.26 2dmy s SER 6 CO 0.05 -0.38 0.50 -0.83 0.41 0.00 0.00 173.24 173.00 2dmy s GLY 7 N 1.47 -0.54 -0.56 3.44 0.00 -1.26 -5.09 107.32 104.78 2dmy s GLY 7 Ca 0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 2dmy s GLY 7 CO -0.18 3.14 0.40 0.50 0.00 0.00 0.00 173.10 176.96 2dmy s ARG 8 N 1.48 2.52 -0.28 2.90 3.00 -1.26 -5.05 118.95 122.27 2dmy s ARG 8 Ca 0.18 -2.20 -0.03 0.00 0.00 0.00 0.00 55.73 53.68 2dmy s ARG 8 Cb -0.09 -3.81 0.03 0.00 0.00 0.00 0.00 34.95 31.08 2dmy s ARG 8 CO -0.05 -1.17 -0.00 0.21 0.00 0.00 0.00 175.30 174.29 2dmy s LYS 9 N 0.53 2.77 -0.02 3.54 2.20 -1.26 -5.08 119.74 122.42 2dmy s LYS 9 Ca 0.13 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 2dmy s LYS 9 Cb -0.21 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2dmy s LYS 9 CO -0.04 -0.49 0.01 0.42 -0.36 0.00 0.00 175.35 174.90 2dmy s ILE 10 N 1.35 0.01 0.03 5.43 1.01 -1.26 -5.15 121.20 122.62 2dmy s ILE 10 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.78 2dmy s ILE 10 Cb -0.18 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.17 2dmy s ILE 10 CO -0.02 0.08 -0.06 -0.22 0.00 0.00 0.00 174.94 174.72 2dmy s LEU 11 N 0.76 2.18 -0.57 2.97 0.20 -1.26 -5.11 118.68 117.85 2dmy s LEU 11 Ca -0.07 -0.41 -0.26 0.00 0.69 0.00 0.00 54.13 54.09 2dmy s LEU 11 Cb -0.10 -0.13 0.04 0.00 -0.43 0.00 0.00 46.19 45.57 2dmy s LEU 11 CO -0.02 -0.15 1.06 -1.81 -0.29 0.00 0.00 176.35 175.14 2dmy s ASP 12 N -1.15 6.37 0.35 3.68 1.11 -1.26 -4.96 116.67 120.81 2dmy s ASP 12 Ca -0.08 -0.20 -0.14 0.00 0.18 0.00 0.00 52.55 52.31 2dmy s ASP 12 Cb -0.08 -2.49 0.04 0.00 1.07 0.00 0.00 42.92 41.46 2dmy s ASP 12 CO 0.00 -1.36 0.70 -0.55 1.18 0.00 0.00 175.17 175.14 2dmy s SER 13 N 2.96 0.11 -0.86 0.27 0.15 -1.26 -5.08 113.70 109.99 2dmy s SER 13 Ca 0.35 -1.10 -0.34 0.00 0.70 0.00 0.00 55.95 55.57 2dmy s SER 13 Cb -0.10 0.78 -0.21 0.00 -1.71 0.00 0.00 66.02 64.78 2dmy s SER 13 CO 0.21 -1.53 2.56 0.29 1.20 0.00 0.00 173.24 175.97 2dmy n LYS 14 N -0.51 0.05 -4.34 5.44 5.02 -1.26 -4.85 118.16 117.70 2dmy n LYS 14 Ca -0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 2dmy n LYS 14 Cb 0.60 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 2dmy n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dmy s ALA 15 N 8.39 2.08 0.01 7.82 0.00 -1.26 -5.17 121.76 133.63 2dmy s ALA 15 Ca 1.31 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2dmy s ALA 15 Cb -1.28 1.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2dmy s ALA 15 CO 0.52 -0.54 -0.18 0.42 0.00 0.00 0.00 175.76 175.98 2dmy s ILE 16 N -3.50 2.75 -0.63 0.00 1.01 -1.26 -5.02 121.20 114.55 2dmy s ILE 16 Ca 0.35 -1.04 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 2dmy s ILE 16 Cb 0.04 -2.10 -0.26 0.00 0.01 0.00 0.00 42.46 40.14 2dmy s ILE 16 CO 0.20 0.45 1.86 -0.67 0.00 0.00 0.00 174.94 176.78 2dmy n ASP 17 N 1.91 1.62 -0.03 3.58 -0.08 -1.26 -4.32 116.55 117.96 2dmy n ASP 17 Ca -0.16 -2.55 -0.07 0.00 -1.51 0.00 0.00 54.79 50.50 2dmy n ASP 17 Cb 0.52 -1.16 -0.02 0.00 2.34 0.00 0.00 41.12 42.80 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 13.04 1.39 0.04 -2.67 4.77 -1.26 -4.57 117.00 127.75 2dmy n LEU 18 Ca 0.45 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.69 2dmy n LEU 18 Cb 0.44 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 41.22 2dmy n LEU 18 CO 0.91 -0.33 0.62 1.15 -1.33 0.00 0.00 177.39 178.41 2dmy n MET 19 N -3.89 0.04 -0.19 3.23 0.00 -1.26 -1.90 117.12 113.15 2dmy n MET 19 Ca -0.12 0.50 -0.10 0.00 0.00 0.00 0.00 57.70 57.99 2dmy n MET 19 Cb 0.36 -1.62 0.01 0.00 0.00 0.00 0.00 33.22 31.97 2dmy n MET 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2dmy h ASN 20 N 0.00 1.00 -0.89 3.17 2.35 -1.89 -3.07 115.58 116.26 2dmy h ASN 20 Ca 0.00 -0.33 0.33 0.00 -0.55 0.00 0.00 56.30 55.75 2dmy h ASN 20 Cb 0.04 -0.27 -0.11 0.00 0.05 0.00 0.00 38.32 38.03 2dmy h ASN 20 CO 0.00 1.09 0.54 0.00 -1.65 0.00 0.00 177.43 177.41 2dmy n ALA 21 N -2.48 0.89 -0.19 -0.83 0.00 -0.80 -0.74 120.51 116.35 2dmy n ALA 21 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2dmy n ALA 21 Cb 0.36 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2dmy n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dmy n LEU 22 N -4.29 0.02 -0.35 0.00 4.77 -1.16 -2.58 117.00 113.42 2dmy n LEU 22 Ca 0.28 0.89 0.14 0.00 -0.03 0.00 0.00 56.01 57.29 2dmy n LEU 22 Cb 1.05 -0.40 0.29 0.00 -2.33 0.00 0.00 43.42 42.02 2dmy n LEU 22 CO 0.09 -0.40 0.79 0.24 -1.33 0.00 0.00 177.39 176.78 2dmy h MET 23 N 0.00 0.00 -0.34 3.23 2.86 -1.13 0.13 114.93 119.68 2dmy h MET 23 Ca 0.00 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2dmy h MET 23 Cb 0.00 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 2dmy h MET 23 CO 0.00 0.00 -0.49 0.00 1.06 0.00 0.00 176.91 177.48 2dmy h ARG 24 N 0.00 -0.39 -0.93 1.72 2.47 -1.37 0.78 114.38 116.66 2dmy h ARG 24 Ca 0.60 0.03 0.27 0.00 -1.26 0.00 0.00 59.98 59.62 2dmy h ARG 24 Cb 1.22 0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.49 2dmy h ARG 24 CO -0.94 -0.26 0.34 1.25 0.56 0.00 0.00 179.97 180.92 2dmy h LEU 25 N -0.41 0.15 -0.14 3.04 5.85 -0.47 0.17 115.31 123.50 2dmy h LEU 25 Ca 0.09 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2dmy h LEU 25 Cb 0.61 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2dmy h LEU 25 CO -0.55 -0.17 0.01 0.78 -0.34 0.00 0.00 178.44 178.17 2dmy h ASN 26 N 0.23 0.25 -0.25 1.25 2.35 -0.81 0.31 115.58 118.90 2dmy h ASN 26 Ca 0.62 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 2dmy h ASN 26 Cb 1.33 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 39.56 2dmy h ASN 26 CO -0.66 0.48 -0.47 1.56 -1.65 0.00 0.00 177.43 176.69 2dmy h GLN 27 N -0.00 -0.44 -0.20 0.81 1.08 0.11 0.46 115.11 116.93 2dmy h GLN 27 Ca 0.04 0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 2dmy h GLN 27 Cb 0.36 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2dmy h GLN 27 CO 0.01 -0.29 -0.50 -0.84 -0.95 0.00 0.00 178.83 176.26 2dmy h ILE 28 N -0.46 1.31 -2.77 2.54 3.07 -1.40 -3.38 117.51 116.42 2dmy h ILE 28 Ca 0.08 -1.72 -0.60 0.00 1.55 0.00 0.00 64.86 64.18 2dmy h ILE 28 Cb 0.63 1.69 -0.40 0.00 -0.27 0.00 0.00 36.82 38.48 2dmy h ILE 28 CO -0.49 0.54 -0.80 -0.13 -1.05 0.00 0.00 178.15 176.22 2dmy s ARG 29 N -4.08 1.03 1.06 0.16 1.81 0.11 -5.11 118.95 113.93 2dmy s ARG 29 Ca -0.07 -1.84 -0.14 0.00 -1.72 0.00 0.00 55.73 51.95 2dmy s ARG 29 Cb 0.12 -1.90 0.22 0.00 -0.45 0.00 0.00 34.95 32.93 2dmy s ARG 29 CO 0.83 -1.21 1.10 -1.25 -0.68 0.00 0.00 175.30 174.09 2dmy s PRO 30 N 0.49 -0.08 -0.94 3.54 0.04 0.15 -3.84 135.00 134.36 2dmy s PRO 30 Ca 0.20 0.34 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 2dmy s PRO 30 Cb -0.19 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2dmy s PRO 30 CO -0.03 -3.04 0.75 0.41 0.04 0.00 0.00 177.00 175.14 2dmy n GLY 31 N -1.03 -1.16 3.80 0.56 0.00 -1.26 -4.99 105.19 101.10 2dmy n GLY 31 Ca 0.07 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.22 3.92 -0.24 0.99 1.43 -1.26 -5.10 118.68 113.21 2dmy s LEU 32 Ca 0.23 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2dmy s LEU 32 Cb -0.07 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.74 2dmy s LEU 32 CO 0.81 0.21 -0.08 0.00 0.23 0.00 0.00 176.35 177.52 2dmy s GLN 33 N -2.16 1.86 -0.09 1.70 -2.07 -1.26 -5.11 119.66 112.53 2dmy s GLN 33 Ca 0.28 -1.07 -0.13 0.00 -1.82 0.00 0.00 55.36 52.61 2dmy s GLN 33 Cb -0.12 -2.65 -0.05 0.00 -1.09 0.00 0.00 33.01 29.10 2dmy s GLN 33 CO 0.20 -0.56 0.31 0.71 -1.32 0.00 0.00 175.29 174.62 2dmy s TYR 34 N 1.31 3.60 0.01 9.60 2.02 -1.26 -4.63 117.35 128.00 2dmy s TYR 34 Ca -0.06 0.74 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 2dmy s TYR 34 Cb -0.19 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 2dmy s TYR 34 CO -0.06 0.50 -0.09 0.21 -1.57 0.00 0.00 175.55 174.54 2dmy s LYS 35 N -0.44 0.65 -0.57 -0.62 2.20 -1.11 -4.99 119.74 114.87 2dmy s LYS 35 Ca 0.19 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 55.14 2dmy s LYS 35 Cb -0.14 -0.59 0.09 0.00 -1.51 0.00 0.00 37.83 35.67 2dmy s LYS 35 CO 0.08 0.15 0.68 -1.17 -0.36 0.00 0.00 175.35 174.73 2dmy s LEU 36 N -0.69 5.25 0.16 5.43 2.96 -1.26 -1.49 118.68 129.04 2dmy s LEU 36 Ca -0.00 -1.27 -0.27 0.00 -0.22 0.00 0.00 54.13 52.37 2dmy s LEU 36 Cb -0.05 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2dmy s LEU 36 CO 0.00 -1.05 1.57 -0.07 -1.32 0.00 0.00 176.35 175.48 2dmy h LEU 37 N 9.90 -1.50 -7.00 -0.68 3.38 -1.05 -3.46 115.31 114.90 2dmy h LEU 37 Ca -0.29 0.23 0.22 0.00 0.09 0.00 0.00 57.88 58.13 2dmy h LEU 37 Cb 1.09 0.66 -0.21 0.00 0.09 0.00 0.00 40.66 42.29 2dmy h LEU 37 CO 1.06 -0.36 0.79 -0.55 0.09 0.00 0.00 178.44 179.47 2dmy s SER 38 N -5.10 -0.16 -0.06 -0.43 0.15 -1.25 -5.05 113.70 101.79 2dmy s SER 38 Ca -0.14 0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.63 2dmy s SER 38 Cb 0.12 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 2dmy s SER 38 CO 0.65 -0.22 -0.19 -1.58 1.20 0.00 0.00 173.24 173.10 2dmy s GLN 39 N -1.91 2.56 0.24 5.44 0.74 -1.26 -2.68 119.66 122.79 2dmy s GLN 39 Ca 0.07 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.71 2dmy s GLN 39 Cb -0.01 -2.30 -0.05 0.00 1.10 0.00 0.00 33.01 31.76 2dmy s GLN 39 CO -0.05 0.50 0.07 -1.54 -0.55 0.00 0.00 175.29 173.72 2dmy s SER 40 N -0.42 1.25 0.00 6.67 1.04 -1.17 -4.89 113.70 116.18 2dmy s SER 40 Ca 0.04 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.15 2dmy s SER 40 Cb -0.12 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2dmy s SER 40 CO 0.02 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2dmy n GLY 41 N -0.41 -1.83 2.38 7.32 0.00 -1.26 0.87 105.19 112.26 2dmy n GLY 41 Ca -0.02 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 -2.47 0.13 1.61 -0.04 -1.26 -4.75 135.00 128.22 2dmy n PRO 42 Ca 0.00 -1.19 0.11 0.00 -0.04 0.00 0.00 63.50 62.38 2dmy n PRO 42 Cb 0.00 -1.11 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.34 0.05 0.00 0.52 3.04 -1.98 -2.51 116.25 113.02 2dmy h VAL 43 Ca -0.28 -1.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2dmy h VAL 43 Cb 0.85 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2dmy h VAL 43 CO 0.18 0.03 -1.91 0.00 -1.01 0.00 0.00 177.57 174.86 2dmy n HIS 44 N -2.81 0.00 -2.58 3.17 1.44 -1.26 -4.51 115.22 108.67 2dmy n HIS 44 Ca 0.01 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.60 2dmy n HIS 44 Cb 0.57 -0.46 0.03 0.00 0.12 0.00 0.00 29.99 30.25 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 -2.19 3.71 -1.20 1.59 0.00 -1.25 -5.11 120.51 116.05 2dmy n ALA 45 Ca -0.03 -3.33 -0.30 0.00 0.00 0.00 0.00 53.44 49.78 2dmy n ALA 45 Cb 0.54 -0.74 0.14 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.51 1.20 -0.44 0.00 0.04 -0.94 -3.99 135.00 127.35 2dmy s PRO 46 Ca 0.35 0.80 0.01 0.00 0.04 0.00 0.00 61.00 62.19 2dmy s PRO 46 Cb 0.39 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 33.25 2dmy s PRO 46 CO -0.03 -2.28 0.21 0.08 0.04 0.00 0.00 177.00 175.02 2dmy s VAL 47 N -2.94 2.90 -0.68 -0.36 1.01 0.25 -4.50 120.40 116.09 2dmy s VAL 47 Ca 0.64 -2.55 -0.27 0.00 0.00 0.00 0.00 61.98 59.79 2dmy s VAL 47 Cb -0.18 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.21 2dmy s VAL 47 CO 0.57 -0.71 1.30 -0.36 0.00 0.00 0.00 175.10 175.89 2dmy s PHE 48 N 0.58 2.33 -0.31 5.22 0.40 -0.36 -3.01 117.98 122.83 2dmy s PHE 48 Ca 0.12 0.14 -0.23 0.00 -0.60 0.00 0.00 56.93 56.37 2dmy s PHE 48 Cb -0.22 -4.56 -0.00 0.00 0.51 0.00 0.00 43.02 38.75 2dmy s PHE 48 CO -0.04 -1.96 0.74 0.99 0.70 0.00 0.00 175.22 175.65 2dmy s THR 49 N 5.73 4.82 0.41 0.64 2.01 -1.09 -1.80 115.64 126.36 2dmy s THR 49 Ca 0.40 1.06 0.08 0.00 0.31 0.00 0.00 61.69 63.53 2dmy s THR 49 Cb -0.08 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2dmy s THR 49 CO 0.19 -0.24 0.46 -0.04 -0.69 0.00 0.00 174.62 174.29 2dmy s MET 50 N 2.88 2.69 -0.28 4.92 -1.94 -0.30 -0.45 119.30 126.83 2dmy s MET 50 Ca 0.30 -1.38 -0.22 0.00 -1.71 0.00 0.00 55.69 52.68 2dmy s MET 50 Cb -0.14 -2.56 0.09 0.00 2.01 0.00 0.00 34.83 34.23 2dmy s MET 50 CO 0.13 -0.20 0.81 -1.54 -0.01 0.00 0.00 175.02 174.20 2dmy s SER 51 N -4.22 -0.70 0.01 3.03 1.04 -0.56 -2.66 113.70 109.64 2dmy s SER 51 Ca 0.51 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 58.20 2dmy s SER 51 Cb -0.06 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.33 2dmy s SER 51 CO 0.30 -0.21 0.00 0.54 0.98 0.00 0.00 173.24 174.85 2dmy s VAL 52 N 0.72 0.08 -0.34 5.02 0.11 -1.01 -2.73 120.40 122.25 2dmy s VAL 52 Ca -0.02 -0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 58.25 2dmy s VAL 52 Cb -0.05 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2dmy s VAL 52 CO -0.07 -0.37 0.16 1.51 -3.33 0.00 0.00 175.10 173.00 2dmy s ASP 53 N -1.12 5.56 -0.07 3.54 -4.77 -1.26 -0.20 116.67 118.35 2dmy s ASP 53 Ca -0.12 -0.85 0.02 0.00 -3.30 0.00 0.00 52.55 48.30 2dmy s ASP 53 Cb -0.08 -1.98 0.02 0.00 -1.09 0.00 0.00 42.92 39.79 2dmy s ASP 53 CO -0.00 -0.30 -0.10 -0.69 0.70 0.00 0.00 175.17 174.77 2dmy s VAL 54 N 1.55 1.03 -1.38 2.11 1.01 -0.76 -4.83 120.40 119.13 2dmy s VAL 54 Ca 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2dmy s VAL 54 Cb -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2dmy s VAL 54 CO 0.06 0.34 0.41 -0.67 0.00 0.00 0.00 175.10 175.23 2dmy n ASP 55 N 4.05 -0.98 -2.21 3.32 -0.08 -1.26 0.51 116.55 119.90 2dmy n ASP 55 Ca -0.21 -1.08 -0.18 0.00 -1.51 0.00 0.00 54.79 51.81 2dmy n ASP 55 Cb 0.51 -2.74 -0.02 0.00 2.34 0.00 0.00 41.12 41.20 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 -2.06 0.02 2.80 0.27 0.00 -1.26 -4.94 105.19 100.02 2dmy n GLY 56 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.82 1.12 -0.33 2.61 2.01 0.18 -5.10 115.64 113.31 2dmy s THR 57 Ca 0.00 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 2dmy s THR 57 Cb 0.00 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.77 2dmy s THR 57 CO 0.00 -0.53 1.25 -0.89 -0.69 0.00 0.00 174.62 173.76 2dmy s THR 58 N 1.52 4.20 0.31 -0.82 2.01 -1.26 -1.82 115.64 119.77 2dmy s THR 58 Ca 0.06 1.33 0.02 0.00 0.31 0.00 0.00 61.69 63.42 2dmy s THR 58 Cb -0.18 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2dmy s THR 58 CO -0.18 -0.56 0.48 -0.31 -0.69 0.00 0.00 174.62 173.36 2dmy s TYR 59 N 4.34 3.48 -0.12 4.92 1.51 0.73 -4.94 117.35 127.28 2dmy s TYR 59 Ca 0.54 0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 56.78 2dmy s TYR 59 Cb -0.14 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 39.98 2dmy s TYR 59 CO 0.23 0.23 0.24 -1.21 -1.11 0.00 0.00 175.55 173.93 2dmy s GLU 60 N -4.18 0.12 -0.02 -0.62 2.02 -1.26 -2.40 118.70 112.37 2dmy s GLU 60 Ca 0.38 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.07 2dmy s GLU 60 Cb -0.09 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.07 2dmy s GLU 60 CO 0.34 -0.29 0.02 0.00 0.02 0.00 0.00 175.26 175.35 2dmy s ALA 61 N 2.35 0.10 0.20 5.21 0.00 -1.09 -4.92 121.76 123.61 2dmy s ALA 61 Ca 0.01 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2dmy s ALA 61 Cb -0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2dmy s ALA 61 CO -0.08 -0.09 0.22 -1.12 0.00 0.00 0.00 175.76 174.69 2dmy s SER 62 N 0.94 5.79 0.27 0.00 0.01 -1.26 -1.14 113.70 118.30 2dmy s SER 62 Ca -0.08 -0.08 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 2dmy s SER 62 Cb -0.11 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2dmy s SER 62 CO -0.02 0.01 0.67 -0.83 0.41 0.00 0.00 173.24 173.47 2dmy s GLY 63 N -3.49 0.04 0.05 3.44 0.00 -0.74 -4.64 107.32 101.97 2dmy s GLY 63 Ca 0.33 -0.42 0.16 0.00 0.00 0.00 0.00 44.72 44.78 2dmy s GLY 63 CO 0.26 -0.20 1.50 -1.55 0.00 0.00 0.00 173.10 173.10 2dmy n PRO 64 N -0.44 0.03 -3.93 2.90 -0.04 -1.26 -1.23 135.00 131.03 2dmy n PRO 64 Ca -0.04 0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2dmy n PRO 64 Cb 0.60 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2dmy n PRO 64 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmy s SER 65 N -3.22 0.39 0.06 3.54 0.15 -1.26 -4.70 113.70 108.65 2dmy s SER 65 Ca 0.06 -1.27 -0.19 0.00 0.70 0.00 0.00 55.95 55.25 2dmy s SER 65 Cb 0.09 0.77 -0.13 0.00 -1.71 0.00 0.00 66.02 65.04 2dmy s SER 65 CO 0.28 -1.51 1.37 0.50 1.20 0.00 0.00 173.24 175.08 2dmy h LYS 66 N 2.05 0.45 -0.80 5.44 1.63 -1.91 -1.43 116.57 121.99 2dmy h LYS 66 Ca -0.30 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.28 2dmy h LYS 66 Cb 1.25 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.84 2dmy h LYS 66 CO 0.39 0.80 0.53 1.57 -3.45 0.00 0.00 179.45 179.29 2dmy h LYS 67 N 0.11 1.06 0.01 1.90 5.09 -1.99 -1.82 116.57 120.93 2dmy h LYS 67 Ca 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 60.65 60.71 2dmy h LYS 67 Cb 0.71 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.80 2dmy h LYS 67 CO 0.04 0.70 -0.01 1.79 -2.09 0.00 0.00 179.45 179.89 2dmy h THR 68 N 1.09 1.40 -0.19 0.07 1.35 -1.94 -2.33 112.91 112.36 2dmy h THR 68 Ca 0.29 -1.26 0.05 0.00 -0.55 0.00 0.00 66.41 64.95 2dmy h THR 68 Cb -0.12 2.24 -0.07 0.00 -1.73 0.00 0.00 68.15 68.48 2dmy h THR 68 CO -0.06 0.32 -0.26 0.00 -0.25 0.00 0.00 175.52 175.27 2dmy h ALA 69 N 0.41 -0.21 -0.78 6.62 0.00 -1.06 0.21 119.26 124.46 2dmy h ALA 69 Ca -0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2dmy h ALA 69 Cb 0.54 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2dmy h ALA 69 CO 0.00 -0.71 0.49 0.87 0.00 0.00 0.00 179.25 179.90 2dmy h LYS 70 N -0.30 0.91 0.39 0.00 1.57 -1.42 -1.98 116.57 115.75 2dmy h LYS 70 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2dmy h LYS 70 Cb 0.48 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2dmy h LYS 70 CO -0.36 0.60 -0.19 1.25 -0.57 0.00 0.00 179.45 180.19 2dmy h LEU 71 N 0.94 -0.44 -0.44 2.94 5.85 -0.72 -2.87 115.31 120.57 2dmy h LEU 71 Ca 0.32 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.10 2dmy h LEU 71 Cb 0.04 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 2dmy h LEU 71 CO -0.12 -0.26 -0.17 0.45 -0.34 0.00 0.00 178.44 177.99 2dmy h HIS 72 N -0.59 -0.42 -0.43 1.25 3.86 -0.39 -2.10 115.15 116.33 2dmy h HIS 72 Ca -0.05 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 2dmy h HIS 72 Cb 0.44 0.25 -0.09 0.00 1.06 0.00 0.00 27.41 29.07 2dmy h HIS 72 CO -0.03 -0.26 -0.44 0.28 0.86 0.00 0.00 177.93 178.34 2dmy h VAL 73 N -0.08 0.10 -0.47 2.45 2.07 -1.27 -1.39 116.25 117.66 2dmy h VAL 73 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 2dmy h VAL 73 Cb 0.41 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2dmy h VAL 73 CO -0.50 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 176.80 2dmy h ALA 74 N 0.40 -0.06 -0.90 1.67 0.00 -1.17 0.42 119.26 119.63 2dmy h ALA 74 Ca 0.14 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.41 2dmy h ALA 74 Cb 0.58 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2dmy h ALA 74 CO -0.59 -0.66 0.39 0.28 0.00 0.00 0.00 179.25 178.66 2dmy h VAL 75 N -0.19 0.43 -0.59 0.00 2.07 -0.89 0.21 116.25 117.29 2dmy h VAL 75 Ca 0.20 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2dmy h VAL 75 Cb 0.52 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2dmy h VAL 75 CO -0.58 0.07 0.35 0.11 0.02 0.00 0.00 177.57 177.54 2dmy h LYS 76 N 0.36 0.81 0.31 1.57 1.57 -0.37 -1.58 116.57 119.24 2dmy h LYS 76 Ca 0.58 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 2dmy h LYS 76 Cb 1.13 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dmy h LYS 76 CO -0.56 0.59 -0.15 0.28 -0.57 0.00 0.00 179.45 179.04 2dmy h VAL 77 N 0.80 0.71 -0.66 0.50 2.07 -0.13 -2.15 116.25 117.38 2dmy h VAL 77 Ca 0.21 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.70 2dmy h VAL 77 Cb -0.00 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 2dmy h VAL 77 CO -0.04 0.03 0.27 -0.07 0.02 0.00 0.00 177.57 177.78 2dmy h LEU 78 N -0.49 0.29 -0.91 2.57 3.38 -1.12 -0.84 115.31 118.19 2dmy h LEU 78 Ca -0.04 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2dmy h LEU 78 Cb 0.37 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2dmy h LEU 78 CO 0.07 0.16 0.58 1.56 0.09 0.00 0.00 178.44 180.90 2dmy h GLN 79 N 0.46 1.06 0.18 1.13 1.08 -1.13 0.18 115.11 118.07 2dmy h GLN 79 Ca 0.34 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 2dmy h GLN 79 Cb 0.42 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2dmy h GLN 79 CO -0.31 0.70 -0.08 0.00 -0.95 0.00 0.00 178.83 178.18 2dmy h ALA 80 N 1.40 -0.24 0.00 3.87 0.00 -0.50 -2.51 119.26 121.28 2dmy h ALA 80 Ca 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2dmy h ALA 80 Cb 0.10 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dmy h ALA 80 CO -0.15 -0.59 -0.13 0.52 0.00 0.00 0.00 179.25 178.90 2dmy h MET 81 N -0.31 0.00 -0.02 0.00 2.86 -1.02 -3.46 114.93 112.97 2dmy h MET 81 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2dmy h MET 81 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2dmy h MET 81 CO 0.04 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.55 2dmy n GLY 82 N -0.81 1.41 3.80 8.32 0.00 0.07 -5.11 105.19 112.87 2dmy n GLY 82 Ca -0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 3.30 -0.24 1.61 2.02 0.42 -5.00 117.35 117.44 2dmy s TYR 83 Ca 0.00 0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 2dmy s TYR 83 Cb 0.00 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2dmy s TYR 83 CO 0.00 0.55 1.62 -1.25 -1.57 0.00 0.00 175.55 174.91 2dmy s PRO 84 N -2.02 3.73 0.58 -1.71 0.04 -1.26 -4.25 135.00 130.11 2dmy s PRO 84 Ca 0.26 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.96 2dmy s PRO 84 Cb -0.12 -4.05 0.08 0.00 0.04 0.00 0.00 34.50 30.45 2dmy s PRO 84 CO 0.18 -1.37 0.80 0.95 0.04 0.00 0.00 177.00 177.61 2dmy s THR 85 N 5.39 2.30 -0.21 1.26 -4.23 -1.26 -5.08 115.64 113.81 2dmy s THR 85 Ca 0.72 -0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 60.18 2dmy s THR 85 Cb -0.24 -2.41 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 2dmy s THR 85 CO 0.30 0.00 -0.29 0.61 -0.54 0.00 0.00 174.62 174.70 2dmy n GLY 86 N -2.32 -0.59 2.93 3.99 0.00 -1.26 -4.96 105.19 102.97 2dmy n GLY 86 Ca 0.14 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2dmy n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dmy s PHE 87 N -2.66 1.62 0.40 1.61 2.19 -1.26 -5.04 117.98 114.83 2dmy s PHE 87 Ca -0.30 -0.83 0.05 0.00 0.33 0.00 0.00 56.93 56.18 2dmy s PHE 87 Cb 0.07 -1.30 -0.06 0.00 -1.31 0.00 0.00 43.02 40.42 2dmy s PHE 87 CO 0.43 -0.53 0.04 0.16 1.83 0.00 0.00 175.22 177.15 2dmy s ASP 88 N 1.62 3.25 -0.68 6.13 -4.77 -1.26 -4.93 116.67 116.03 2dmy s ASP 88 Ca 0.04 -1.45 0.05 0.00 -3.30 0.00 0.00 52.55 47.89 2dmy s ASP 88 Cb -0.13 -0.04 0.19 0.00 -1.09 0.00 0.00 42.92 41.85 2dmy s ASP 88 CO -0.08 -0.62 0.55 0.00 0.70 0.00 0.00 175.17 175.71 2dmy n ALA 89 N -0.91 3.53 -3.18 2.11 0.00 -1.26 -4.99 120.51 115.81 2dmy n ALA 89 Ca -0.06 -4.53 0.05 0.00 0.00 0.00 0.00 53.44 48.90 2dmy n ALA 89 Cb 0.67 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dmy s ASP 90 N -1.64 -0.36 0.14 0.00 1.01 -1.26 -5.03 116.67 109.54 2dmy s ASP 90 Ca 0.28 0.28 0.23 0.00 0.71 0.00 0.00 52.55 54.05 2dmy s ASP 90 Cb 0.00 1.32 0.01 0.00 1.01 0.00 0.00 42.92 45.27 2dmy s ASP 90 CO -0.14 -0.07 1.01 2.30 0.21 0.00 0.00 175.17 178.48 2dmy n ILE 91 N 5.30 0.44 -0.05 0.77 -5.35 -1.26 -4.28 119.36 114.94 2dmy n ILE 91 Ca -0.08 -0.46 -0.21 0.00 -0.27 0.00 0.00 62.75 61.74 2dmy n ILE 91 Cb 0.54 -0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.13 2dmy n ILE 91 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dmy h SER 92 N 0.00 0.19 0.00 7.28 0.02 -2.04 -3.50 113.55 115.50 2dmy h SER 92 Ca 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2dmy h SER 92 Cb 0.92 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2dmy h SER 92 CO 0.00 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.84 2dmy n GLY 93 N 1.64 1.36 3.77 -3.77 0.00 -1.26 -5.04 105.19 101.89 2dmy n GLY 93 Ca -0.27 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2dmy n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmy s PRO 94 N 0.00 2.54 -0.20 1.61 0.04 -1.26 -5.04 135.00 132.70 2dmy s PRO 94 Ca 0.00 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2dmy s PRO 94 Cb 0.00 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2dmy s PRO 94 CO 0.00 -1.44 0.31 0.45 0.04 0.00 0.00 177.00 176.37 2dmy s SER 95 N -2.98 0.50 0.41 6.66 0.15 -1.26 -5.13 113.70 112.05 2dmy s SER 95 Ca 0.64 0.31 -0.22 0.00 0.70 0.00 0.00 55.95 57.37 2dmy s SER 95 Cb -0.19 0.85 -0.13 0.00 -1.71 0.00 0.00 66.02 64.83 2dmy s SER 95 CO 0.48 -0.28 0.47 -1.20 1.20 0.00 0.00 173.24 173.91 2dmy n SER 96 N 5.35 -1.23 0.00 5.45 7.64 -1.26 -5.31 113.62 124.26 2dmy n SER 96 Ca -0.05 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2dmy n SER 96 Cb 0.50 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dmy n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64