#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 3.76 0.69 1.61 0.15 -1.26 -4.97 113.70 113.69 2dmy s SER 2 Ca 0.00 -3.06 -0.13 0.00 0.70 0.00 0.00 55.95 53.46 2dmy s SER 2 Cb 0.00 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 63.11 2dmy s SER 2 CO 0.00 -0.20 1.08 -0.94 1.20 0.00 0.00 173.24 174.38 2dmy s SER 3 N -0.25 5.08 0.00 5.45 1.04 -1.26 -4.84 113.70 118.92 2dmy s SER 3 Ca 0.21 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2dmy s SER 3 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2dmy s SER 3 CO -0.07 -1.65 0.00 0.61 0.98 0.00 0.00 173.24 173.12 2dmy n GLY 4 N -1.13 -0.82 3.41 7.32 0.00 -1.26 -5.02 105.19 107.68 2dmy n GLY 4 Ca 0.09 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.00 0.02 -0.30 1.61 0.01 -1.26 -5.16 113.70 104.61 2dmy s SER 5 Ca 0.00 -1.12 -0.15 0.00 1.31 0.00 0.00 55.95 55.99 2dmy s SER 5 Cb 0.00 0.49 0.18 0.00 0.21 0.00 0.00 66.02 66.90 2dmy s SER 5 CO 0.00 -1.00 1.10 -0.55 0.41 0.00 0.00 173.24 173.20 2dmy s SER 6 N -3.07 -0.39 -0.18 2.44 0.15 -1.26 -5.15 113.70 106.24 2dmy s SER 6 Ca 0.29 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2dmy s SER 6 Cb 0.03 1.38 0.03 0.00 -1.71 0.00 0.00 66.02 65.75 2dmy s SER 6 CO 0.10 -0.07 -0.14 -0.83 1.20 0.00 0.00 173.24 173.50 2dmy s GLY 7 N 2.58 1.28 -0.30 9.45 0.00 -1.26 -5.08 107.32 113.99 2dmy s GLY 7 Ca -0.01 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.46 2dmy s GLY 7 CO -0.14 0.54 0.83 -1.60 0.00 0.00 0.00 173.10 172.73 2dmy s ARG 8 N 1.38 0.40 0.18 2.90 3.52 -1.26 -5.17 118.95 120.90 2dmy s ARG 8 Ca 0.02 0.84 0.04 0.00 -0.13 0.00 0.00 55.73 56.49 2dmy s ARG 8 Cb -0.15 0.49 -0.05 0.00 -1.56 0.00 0.00 34.95 33.68 2dmy s ARG 8 CO -0.10 -0.30 -0.04 -1.59 -0.81 0.00 0.00 175.30 172.46 2dmy s LYS 9 N 2.78 1.17 0.00 5.12 0.00 -1.26 -5.16 119.74 122.38 2dmy s LYS 9 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 55.97 54.48 2dmy s LYS 9 Cb -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 37.83 37.18 2dmy s LYS 9 CO -0.17 -0.03 -0.04 0.42 0.00 0.00 0.00 175.35 175.52 2dmy s ILE 10 N -3.43 0.32 -0.00 3.79 -1.09 -1.26 -5.07 121.20 114.45 2dmy s ILE 10 Ca 0.22 -0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 2dmy s ILE 10 Cb 0.04 -0.29 -0.13 0.00 -1.58 0.00 0.00 42.46 40.50 2dmy s ILE 10 CO 0.04 0.03 1.00 -0.07 -1.23 0.00 0.00 174.94 174.72 2dmy h LEU 11 N 5.90 -0.68 -9.80 2.97 3.38 -2.10 -3.43 115.31 111.54 2dmy h LEU 11 Ca -0.28 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.18 2dmy h LEU 11 Cb 1.20 0.18 0.05 0.00 0.09 0.00 0.00 40.66 42.17 2dmy h LEU 11 CO 0.49 -0.29 0.62 -1.81 0.09 0.00 0.00 178.44 177.55 2dmy s ASP 12 N -4.63 6.88 0.13 -0.43 1.11 -1.26 -5.04 116.67 113.43 2dmy s ASP 12 Ca -0.13 2.53 0.05 0.00 0.18 0.00 0.00 52.55 55.18 2dmy s ASP 12 Cb 0.01 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2dmy s ASP 12 CO 0.39 -0.48 -0.11 -0.94 1.18 0.00 0.00 175.17 175.21 2dmy s SER 13 N -0.23 1.75 -0.49 0.27 1.04 -1.26 -5.06 113.70 109.72 2dmy s SER 13 Ca 0.51 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 56.06 2dmy s SER 13 Cb -0.38 -0.02 0.45 0.00 0.10 0.00 0.00 66.02 66.17 2dmy s SER 13 CO 0.46 -0.27 1.59 0.29 0.98 0.00 0.00 173.24 176.29 2dmy n LYS 14 N 0.18 3.17 -3.17 4.02 4.01 -1.26 -4.97 118.16 120.14 2dmy n LYS 14 Ca -0.13 -3.77 -0.43 0.00 -0.51 0.00 0.00 58.31 53.46 2dmy n LYS 14 Cb 0.59 -2.28 -0.07 0.00 -0.51 0.00 0.00 35.03 32.76 2dmy n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dmy s ALA 15 N -3.72 3.38 -0.51 7.82 0.00 -1.26 -5.00 121.76 122.47 2dmy s ALA 15 Ca 0.57 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.95 2dmy s ALA 15 Cb 0.45 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 20.40 2dmy s ALA 15 CO -0.01 -1.92 0.26 0.42 0.00 0.00 0.00 175.76 174.51 2dmy s ILE 16 N 2.61 2.44 -0.95 0.00 1.01 -1.26 -4.75 121.20 120.29 2dmy s ILE 16 Ca 0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 60.65 57.52 2dmy s ILE 16 Cb -0.18 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2dmy s ILE 16 CO 0.13 -0.82 0.55 0.47 0.00 0.00 0.00 174.94 175.27 2dmy n ASP 17 N 3.14 -4.65 0.00 3.58 8.00 -1.26 -4.89 116.55 120.47 2dmy n ASP 17 Ca 0.06 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2dmy n ASP 17 Cb 0.32 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 2dmy n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmy n LEU 18 N -2.98 0.25 -0.03 0.64 -0.00 -1.26 -4.78 117.00 108.83 2dmy n LEU 18 Ca -0.04 0.00 0.23 0.00 -0.00 0.00 0.00 56.01 56.20 2dmy n LEU 18 Cb 0.56 0.00 0.71 0.00 -0.00 0.00 0.00 43.42 44.70 2dmy n LEU 18 CO 0.35 -0.17 1.21 0.00 -0.00 0.00 0.00 177.39 178.77 2dmy h MET 19 N 0.00 0.00 -0.83 1.47 -0.00 -1.90 -2.42 114.93 111.25 2dmy h MET 19 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 59.70 59.92 2dmy h MET 19 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 31.93 2dmy h MET 19 CO 0.00 0.00 -0.01 0.09 -0.00 0.00 0.00 176.91 176.99 2dmy n ASN 20 N -4.21 -0.12 0.08 -0.10 4.13 -1.26 0.30 115.26 114.07 2dmy n ASN 20 Ca 0.12 1.41 -0.14 0.00 1.68 0.00 0.00 54.58 57.64 2dmy n ASN 20 Cb 0.71 -0.50 -0.07 0.00 -1.54 0.00 0.00 39.78 38.38 2dmy n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dmy h ALA 21 N 1.65 -0.72 -0.09 5.41 0.00 -1.80 0.31 119.26 124.03 2dmy h ALA 21 Ca 0.49 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2dmy h ALA 21 Cb 0.98 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2dmy h ALA 21 CO -0.79 -0.98 -0.17 -0.07 0.00 0.00 0.00 179.25 177.25 2dmy h LEU 22 N -0.61 -0.54 -0.79 0.00 3.38 -0.36 0.79 115.31 117.18 2dmy h LEU 22 Ca 0.03 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.23 2dmy h LEU 22 Cb 0.67 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2dmy h LEU 22 CO -0.29 -0.13 0.31 0.24 0.09 0.00 0.00 178.44 178.66 2dmy h MET 23 N -0.14 0.42 -0.35 1.13 2.86 -1.39 -1.06 114.93 116.40 2dmy h MET 23 Ca 0.02 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2dmy h MET 23 Cb 0.19 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 2dmy h MET 23 CO -0.16 0.28 -0.08 0.00 1.06 0.00 0.00 176.91 178.01 2dmy h ARG 24 N 0.43 0.01 -0.28 1.72 2.47 0.72 0.18 114.38 119.64 2dmy h ARG 24 Ca 0.45 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.23 2dmy h ARG 24 Cb 0.72 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 2dmy h ARG 24 CO -0.44 0.00 -0.18 1.25 0.56 0.00 0.00 179.97 181.17 2dmy h LEU 25 N 0.01 -0.60 -0.03 3.04 5.85 0.46 -2.02 115.31 122.02 2dmy h LEU 25 Ca 0.17 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2dmy h LEU 25 Cb 0.26 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2dmy h LEU 25 CO -0.36 -0.22 0.02 0.78 -0.34 0.00 0.00 178.44 178.32 2dmy h ASN 26 N -0.16 0.04 -0.75 1.25 2.35 -1.14 -0.49 115.58 116.69 2dmy h ASN 26 Ca 0.15 -0.10 0.12 0.00 -0.55 0.00 0.00 56.30 55.91 2dmy h ASN 26 Cb 0.39 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.62 2dmy h ASN 26 CO -0.37 0.13 -0.39 1.56 -1.65 0.00 0.00 177.43 176.71 2dmy h GLN 27 N -0.05 -0.11 -0.46 0.81 4.20 -0.15 0.28 115.11 119.63 2dmy h GLN 27 Ca 0.01 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2dmy h GLN 27 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2dmy h GLN 27 CO -0.00 -0.07 -0.23 -0.84 -0.67 0.00 0.00 178.83 177.02 2dmy h ILE 28 N -0.11 1.27 -2.84 2.54 3.07 -1.29 -3.39 117.51 116.75 2dmy h ILE 28 Ca 0.26 -1.38 -0.59 0.00 1.55 0.00 0.00 64.86 64.70 2dmy h ILE 28 Cb 0.56 1.15 -0.40 0.00 -0.27 0.00 0.00 36.82 37.87 2dmy h ILE 28 CO -0.80 0.47 -0.79 -0.13 -1.05 0.00 0.00 178.15 175.85 2dmy s ARG 29 N -4.64 0.80 0.56 0.16 0.52 0.31 -5.12 118.95 111.53 2dmy s ARG 29 Ca -0.11 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 53.47 2dmy s ARG 29 Cb 0.12 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.78 2dmy s ARG 29 CO 0.86 -1.14 1.13 -1.25 0.02 0.00 0.00 175.30 174.92 2dmy s PRO 30 N 1.01 3.28 -0.16 3.54 0.04 0.71 -4.10 135.00 139.33 2dmy s PRO 30 Ca 0.16 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2dmy s PRO 30 Cb -0.22 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 2dmy s PRO 30 CO -0.07 -0.90 0.14 0.41 0.04 0.00 0.00 177.00 176.61 2dmy n GLY 31 N 0.05 0.60 3.66 0.56 0.00 -1.26 -5.07 105.19 103.73 2dmy n GLY 31 Ca 0.11 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.33 3.37 -0.03 0.99 1.43 -1.26 -5.13 118.68 114.73 2dmy s LEU 32 Ca 0.07 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2dmy s LEU 32 Cb -0.01 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2dmy s LEU 32 CO 0.11 0.20 -0.19 0.00 0.23 0.00 0.00 176.35 176.70 2dmy s GLN 33 N -2.08 1.71 -0.09 1.70 -2.07 -1.26 -5.14 119.66 112.43 2dmy s GLN 33 Ca 0.23 -0.68 0.03 0.00 -1.82 0.00 0.00 55.36 53.12 2dmy s GLN 33 Cb -0.11 -1.58 -0.02 0.00 -1.09 0.00 0.00 33.01 30.21 2dmy s GLN 33 CO 0.15 0.36 -0.17 0.71 -1.32 0.00 0.00 175.29 175.02 2dmy s TYR 34 N -0.27 2.68 0.07 9.60 1.51 -1.26 -4.51 117.35 125.16 2dmy s TYR 34 Ca 0.03 -0.57 0.09 0.00 -1.01 0.00 0.00 57.07 55.60 2dmy s TYR 34 Cb -0.09 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2dmy s TYR 34 CO 0.01 -0.13 -0.24 0.15 -1.11 0.00 0.00 175.55 174.23 2dmy s LYS 35 N -0.05 1.50 -0.67 -0.62 1.02 -0.91 -4.95 119.74 115.07 2dmy s LYS 35 Ca -0.04 -1.10 -0.18 0.00 0.02 0.00 0.00 55.97 54.67 2dmy s LYS 35 Cb -0.14 -1.72 0.12 0.00 -0.52 0.00 0.00 37.83 35.57 2dmy s LYS 35 CO 0.04 0.43 0.77 -1.17 -0.92 0.00 0.00 175.35 174.51 2dmy s LEU 36 N -1.44 5.52 0.22 3.17 2.96 -1.26 -1.20 118.68 126.66 2dmy s LEU 36 Ca 0.10 -1.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.16 2dmy s LEU 36 Cb -0.10 -2.30 0.24 0.00 0.50 0.00 0.00 46.19 44.53 2dmy s LEU 36 CO 0.03 -1.04 1.57 -0.07 -1.32 0.00 0.00 176.35 175.52 2dmy h LEU 37 N 9.75 -1.13 -7.00 -0.68 3.38 -1.18 -3.45 115.31 115.00 2dmy h LEU 37 Ca -0.18 0.26 0.23 0.00 0.09 0.00 0.00 57.88 58.28 2dmy h LEU 37 Cb 1.07 0.62 -0.21 0.00 0.09 0.00 0.00 40.66 42.24 2dmy h LEU 37 CO 1.06 -0.29 0.79 -0.55 0.09 0.00 0.00 178.44 179.54 2dmy s SER 38 N -5.26 -0.16 -0.12 -0.43 0.15 -1.25 -5.07 113.70 101.56 2dmy s SER 38 Ca -0.14 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.57 2dmy s SER 38 Cb 0.20 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 2dmy s SER 38 CO 0.72 -0.23 -0.15 -1.58 1.20 0.00 0.00 173.24 173.20 2dmy s GLN 39 N -2.04 3.31 0.08 5.44 -0.44 -1.26 -2.86 119.66 121.88 2dmy s GLN 39 Ca 0.08 -0.73 0.02 0.00 -2.50 0.00 0.00 55.36 52.23 2dmy s GLN 39 Cb -0.01 -2.56 -0.03 0.00 -1.64 0.00 0.00 33.01 28.77 2dmy s GLN 39 CO -0.05 0.21 -0.07 -1.12 0.50 0.00 0.00 175.29 174.76 2dmy s SER 40 N 0.35 1.04 0.00 6.67 0.01 -1.05 -4.96 113.70 115.76 2dmy s SER 40 Ca -0.13 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2dmy s SER 40 Cb -0.16 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2dmy s SER 40 CO 0.06 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dmy n GLY 41 N 0.55 -1.17 1.22 3.44 0.00 -1.26 -0.43 105.19 107.53 2dmy n GLY 41 Ca -0.16 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.31 -1.77 0.01 1.61 -0.04 -1.26 -4.81 135.00 128.43 2dmy n PRO 42 Ca 0.00 -0.61 -0.06 0.00 -0.04 0.00 0.00 63.50 62.79 2dmy n PRO 42 Cb 0.00 -0.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.94 0.92 0.09 0.52 3.04 -1.98 -2.97 116.25 113.92 2dmy h VAL 43 Ca -0.14 -2.65 -0.29 0.00 -1.01 0.00 0.00 66.70 62.61 2dmy h VAL 43 Cb 0.44 2.41 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 2dmy h VAL 43 CO 0.09 0.52 -1.46 1.12 -1.01 0.00 0.00 177.57 176.83 2dmy h HIS 44 N 0.00 0.35 -1.83 3.17 2.07 -2.02 -3.37 115.15 113.51 2dmy h HIS 44 Ca -0.20 -0.25 -0.57 0.00 -2.85 0.00 0.00 60.37 56.49 2dmy h HIS 44 Cb 1.85 -0.01 -0.42 0.00 2.57 0.00 0.00 27.41 31.40 2dmy h HIS 44 CO 0.00 1.29 -0.73 0.00 -3.07 0.00 0.00 177.93 175.41 2dmy n ALA 45 N -2.61 4.71 -2.14 6.11 0.00 -1.26 -5.07 120.51 120.26 2dmy n ALA 45 Ca -0.14 -4.39 -0.42 0.00 0.00 0.00 0.00 53.44 48.49 2dmy n ALA 45 Cb 1.03 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 -3.45 4.35 -0.30 0.00 0.04 -1.12 -4.03 135.00 130.49 2dmy s PRO 46 Ca 0.47 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.37 2dmy s PRO 46 Cb 0.35 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2dmy s PRO 46 CO -0.15 -0.36 0.54 0.08 0.04 0.00 0.00 177.00 177.14 2dmy s VAL 47 N 0.76 5.03 -0.48 -0.36 1.01 0.42 -4.46 120.40 122.32 2dmy s VAL 47 Ca 0.61 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 2dmy s VAL 47 Cb -0.36 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.20 2dmy s VAL 47 CO 0.33 -0.06 0.40 -0.36 0.00 0.00 0.00 175.10 175.41 2dmy s PHE 48 N 2.40 3.26 -0.43 5.22 0.40 -0.93 -2.54 117.98 125.37 2dmy s PHE 48 Ca 0.21 -1.09 -0.25 0.00 -0.60 0.00 0.00 56.93 55.21 2dmy s PHE 48 Cb -0.15 -3.27 0.02 0.00 0.51 0.00 0.00 43.02 40.13 2dmy s PHE 48 CO 0.11 -0.85 0.87 0.99 0.70 0.00 0.00 175.22 177.04 2dmy s THR 49 N 1.60 4.58 0.40 0.64 2.01 -1.14 -2.45 115.64 121.29 2dmy s THR 49 Ca 0.04 0.76 0.08 0.00 0.31 0.00 0.00 61.69 62.88 2dmy s THR 49 Cb -0.25 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 67.91 2dmy s THR 49 CO 0.05 -0.69 0.54 -0.04 -0.69 0.00 0.00 174.62 173.79 2dmy s MET 50 N 3.49 2.87 -0.24 4.92 -1.94 -0.60 -0.64 119.30 127.15 2dmy s MET 50 Ca 0.35 -1.21 -0.26 0.00 -1.71 0.00 0.00 55.69 52.85 2dmy s MET 50 Cb -0.11 -2.75 0.09 0.00 2.01 0.00 0.00 34.83 34.07 2dmy s MET 50 CO 0.23 -0.21 0.86 -1.54 -0.01 0.00 0.00 175.02 174.35 2dmy s SER 51 N -4.31 -0.60 0.06 3.03 1.04 -0.34 -1.86 113.70 110.73 2dmy s SER 51 Ca 0.53 1.07 0.03 0.00 0.48 0.00 0.00 55.95 58.06 2dmy s SER 51 Cb -0.10 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.06 2dmy s SER 51 CO 0.32 -0.25 -0.09 0.54 0.98 0.00 0.00 173.24 174.74 2dmy s VAL 52 N 0.05 0.68 -0.49 5.02 0.11 -1.00 -2.13 120.40 122.64 2dmy s VAL 52 Ca -0.00 -1.30 -0.09 0.00 -2.93 0.00 0.00 61.98 57.66 2dmy s VAL 52 Cb -0.04 -0.91 0.12 0.00 -1.53 0.00 0.00 36.38 34.02 2dmy s VAL 52 CO -0.01 -0.46 0.36 1.51 -3.33 0.00 0.00 175.10 173.18 2dmy s ASP 53 N -1.92 5.72 -0.00 3.54 -4.77 -1.26 -0.79 116.67 117.18 2dmy s ASP 53 Ca -0.04 -1.98 0.06 0.00 -3.30 0.00 0.00 52.55 47.29 2dmy s ASP 53 Cb -0.07 -2.01 -0.02 0.00 -1.09 0.00 0.00 42.92 39.73 2dmy s ASP 53 CO -0.00 -0.68 -0.18 -0.69 0.70 0.00 0.00 175.17 174.32 2dmy s VAL 54 N 1.27 1.42 -1.67 2.11 1.01 -1.03 -4.77 120.40 118.75 2dmy s VAL 54 Ca 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2dmy s VAL 54 Cb -0.26 -1.20 0.12 0.00 0.00 0.00 0.00 36.38 35.05 2dmy s VAL 54 CO -0.01 0.34 0.54 -0.90 0.00 0.00 0.00 175.10 175.06 2dmy n ASP 55 N 2.46 -1.65 -2.70 3.32 5.68 -1.26 0.11 116.55 122.51 2dmy n ASP 55 Ca -0.15 -1.12 -0.20 0.00 -0.50 0.00 0.00 54.79 52.82 2dmy n ASP 55 Cb 0.54 -2.32 0.01 0.00 -1.14 0.00 0.00 41.12 38.20 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dmy n GLY 56 N -1.63 -0.51 2.75 6.12 0.00 -1.26 -4.96 105.19 105.69 2dmy n GLY 56 Ca -0.06 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.01 0.60 -0.49 2.61 2.01 0.31 -5.10 115.64 112.56 2dmy s THR 57 Ca 0.14 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 2dmy s THR 57 Cb -0.06 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2dmy s THR 57 CO 0.17 -0.22 1.30 -0.89 -0.69 0.00 0.00 174.62 174.29 2dmy s THR 58 N 1.82 3.99 0.37 -0.82 2.01 -1.26 -2.45 115.64 119.30 2dmy s THR 58 Ca -0.01 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2dmy s THR 58 Cb -0.17 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 2dmy s THR 58 CO -0.08 -1.02 0.64 -0.31 -0.69 0.00 0.00 174.62 173.16 2dmy s TYR 59 N 5.20 3.50 -0.11 4.92 1.51 0.03 -4.92 117.35 127.49 2dmy s TYR 59 Ca 0.52 0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 57.21 2dmy s TYR 59 Cb -0.10 -2.15 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2dmy s TYR 59 CO 0.30 0.00 0.24 -1.21 -1.11 0.00 0.00 175.55 173.77 2dmy s GLU 60 N -4.09 0.15 -0.10 -0.62 2.02 -1.26 -2.38 118.70 112.42 2dmy s GLU 60 Ca 0.45 0.62 -0.04 0.00 0.02 0.00 0.00 54.97 56.02 2dmy s GLU 60 Cb -0.10 -0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.07 2dmy s GLU 60 CO 0.36 -0.24 0.22 0.00 0.02 0.00 0.00 175.26 175.62 2dmy s ALA 61 N 1.90 -0.45 0.02 5.21 0.00 -0.78 -4.89 121.76 122.78 2dmy s ALA 61 Ca -0.03 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 52.79 2dmy s ALA 61 Cb -0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2dmy s ALA 61 CO -0.08 -0.36 0.13 -1.12 0.00 0.00 0.00 175.76 174.33 2dmy s SER 62 N 1.70 5.97 0.32 0.00 0.01 -1.26 -1.56 113.70 118.89 2dmy s SER 62 Ca -0.05 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2dmy s SER 62 Cb -0.11 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 2dmy s SER 62 CO -0.08 0.23 0.36 -0.83 0.41 0.00 0.00 173.24 173.33 2dmy s GLY 63 N -2.05 1.77 0.18 3.44 0.00 -1.02 -4.81 107.32 104.83 2dmy s GLY 63 Ca 0.27 -1.73 0.20 0.00 0.00 0.00 0.00 44.72 43.47 2dmy s GLY 63 CO 0.19 -1.22 1.63 -1.55 0.00 0.00 0.00 173.10 172.15 2dmy n PRO 64 N -0.54 0.13 -3.65 2.90 -0.04 -1.26 -2.18 135.00 130.36 2dmy n PRO 64 Ca 0.04 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2dmy n PRO 64 Cb 0.62 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2dmy n PRO 64 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmy s SER 65 N -3.84 -0.35 0.25 3.54 0.01 -1.26 -4.66 113.70 107.39 2dmy s SER 65 Ca 0.05 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2dmy s SER 65 Cb 0.09 0.60 0.31 0.00 0.21 0.00 0.00 66.02 67.23 2dmy s SER 65 CO 0.35 -1.05 1.90 0.50 0.41 0.00 0.00 173.24 175.34 2dmy h LYS 66 N 2.13 1.17 0.01 12.44 1.63 -1.89 0.14 116.57 132.18 2dmy h LYS 66 Ca -0.29 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.44 2dmy h LYS 66 Cb 1.27 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2dmy h LYS 66 CO 0.36 0.77 -0.04 1.57 -3.45 0.00 0.00 179.45 178.66 2dmy h LYS 67 N 1.20 -0.08 -0.10 1.90 2.10 -1.98 -2.54 116.57 117.08 2dmy h LYS 67 Ca 0.38 0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 59.02 2dmy h LYS 67 Cb 0.01 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2dmy h LYS 67 CO -0.12 -0.05 -0.00 1.15 -2.00 0.00 0.00 179.45 178.42 2dmy h THR 68 N -0.08 1.25 -0.54 0.07 2.02 -1.87 -3.00 112.91 110.76 2dmy h THR 68 Ca 0.02 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.44 2dmy h THR 68 Cb 0.10 1.61 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 2dmy h THR 68 CO -0.04 0.23 -0.46 0.00 0.37 0.00 0.00 175.52 175.62 2dmy h ALA 69 N 0.73 -0.57 -0.85 6.16 0.00 -0.64 0.27 119.26 124.36 2dmy h ALA 69 Ca 0.03 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.15 2dmy h ALA 69 Cb 0.36 1.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2dmy h ALA 69 CO 0.01 -0.84 0.40 0.87 0.00 0.00 0.00 179.25 179.69 2dmy h LYS 70 N -0.17 0.51 0.10 0.00 1.57 -1.51 -1.35 116.57 115.72 2dmy h LYS 70 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2dmy h LYS 70 Cb 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dmy h LYS 70 CO -0.60 0.34 -0.05 1.25 -0.57 0.00 0.00 179.45 179.82 2dmy h LEU 71 N 0.52 -0.12 -0.34 2.94 5.85 -0.58 -2.78 115.31 120.81 2dmy h LEU 71 Ca 0.48 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.27 2dmy h LEU 71 Cb 0.77 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 2dmy h LEU 71 CO -0.42 -0.08 -0.33 0.45 -0.34 0.00 0.00 178.44 177.72 2dmy h HIS 72 N -0.15 -0.93 -0.29 1.25 3.86 0.49 -2.06 115.15 117.32 2dmy h HIS 72 Ca -0.01 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2dmy h HIS 72 Cb 0.11 0.46 -0.08 0.00 1.06 0.00 0.00 27.41 28.96 2dmy h HIS 72 CO -0.07 -0.39 -0.49 0.28 0.86 0.00 0.00 177.93 178.12 2dmy h VAL 73 N -0.29 0.06 -0.78 2.45 2.07 -1.31 -0.93 116.25 117.52 2dmy h VAL 73 Ca 0.15 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.85 2dmy h VAL 73 Cb 0.54 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 30.24 2dmy h VAL 73 CO -0.50 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.10 2dmy h ALA 74 N 0.07 0.82 -0.66 1.67 0.00 -1.13 0.10 119.26 120.13 2dmy h ALA 74 Ca 0.08 0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.38 2dmy h ALA 74 Cb 0.62 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2dmy h ALA 74 CO -0.52 -0.43 0.07 0.28 0.00 0.00 0.00 179.25 178.65 2dmy h VAL 75 N 0.10 0.51 0.36 0.00 2.07 -0.51 -1.69 116.25 117.09 2dmy h VAL 75 Ca 0.43 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.88 2dmy h VAL 75 Cb 0.76 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2dmy h VAL 75 CO -0.68 0.03 -0.26 0.11 0.02 0.00 0.00 177.57 176.79 2dmy h LYS 76 N 0.18 -0.60 -0.67 1.57 1.57 -0.50 -1.44 116.57 116.68 2dmy h LYS 76 Ca 0.36 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.32 2dmy h LYS 76 Cb 0.59 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.91 2dmy h LYS 76 CO -0.52 -0.40 -0.12 0.28 -0.57 0.00 0.00 179.45 178.12 2dmy h VAL 77 N -0.62 0.35 0.11 0.50 2.07 -0.95 0.25 116.25 117.97 2dmy h VAL 77 Ca -0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2dmy h VAL 77 Cb 0.53 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2dmy h VAL 77 CO 0.01 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.43 2dmy h LEU 78 N 0.02 -0.25 -0.84 2.57 3.38 -1.09 -1.64 115.31 117.47 2dmy h LEU 78 Ca 0.33 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.39 2dmy h LEU 78 Cb 0.52 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2dmy h LEU 78 CO -0.66 -0.15 0.51 1.56 0.09 0.00 0.00 178.44 179.78 2dmy h GLN 79 N -0.22 0.89 -0.49 1.13 4.20 -0.09 0.18 115.11 120.70 2dmy h GLN 79 Ca -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2dmy h GLN 79 Cb 0.21 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2dmy h GLN 79 CO -0.02 0.59 0.31 0.00 -0.67 0.00 0.00 178.83 179.04 2dmy h ALA 80 N 1.41 0.62 -0.10 3.87 0.00 -0.19 -2.43 119.26 122.43 2dmy h ALA 80 Ca 0.37 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2dmy h ALA 80 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dmy h ALA 80 CO -0.19 0.03 -0.53 0.52 0.00 0.00 0.00 179.25 179.08 2dmy h MET 81 N 0.62 0.29 0.00 0.00 2.86 -0.61 -3.47 114.93 114.62 2dmy h MET 81 Ca 0.19 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dmy h MET 81 Cb -0.03 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2dmy h MET 81 CO -0.06 0.75 0.00 0.41 1.06 0.00 0.00 176.91 179.06 2dmy n GLY 82 N 0.11 1.14 3.78 8.32 0.00 0.45 -5.11 105.19 113.88 2dmy n GLY 82 Ca -0.02 0.00 -0.25 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 3.09 -0.40 1.61 2.02 -0.08 -5.00 117.35 116.59 2dmy s TYR 83 Ca 0.00 -0.06 -0.28 0.00 -0.37 0.00 0.00 57.07 56.36 2dmy s TYR 83 Cb 0.00 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2dmy s TYR 83 CO 0.00 0.52 1.74 -1.25 -1.57 0.00 0.00 175.55 174.99 2dmy s PRO 84 N -3.27 3.24 -0.03 -1.71 0.04 -1.26 -4.30 135.00 127.71 2dmy s PRO 84 Ca 0.31 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dmy s PRO 84 Cb -0.09 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2dmy s PRO 84 CO 0.23 -1.98 0.03 0.95 0.04 0.00 0.00 177.00 176.27 2dmy s THR 85 N 7.06 4.44 0.32 1.26 -4.23 -1.26 -5.00 115.64 118.23 2dmy s THR 85 Ca 0.74 -0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 2dmy s THR 85 Cb -0.19 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.01 2dmy s THR 85 CO 0.31 0.45 1.67 1.23 -0.54 0.00 0.00 174.62 177.74 2dmy h GLY 86 N 4.53 1.85 -7.29 3.99 0.00 -1.94 -3.31 103.07 100.91 2dmy h GLY 86 Ca -0.50 -0.20 -0.60 0.00 0.00 0.00 0.00 47.33 46.03 2dmy h GLY 86 CO 0.58 -0.40 0.74 -1.36 0.00 0.00 0.00 176.54 176.09 2dmy s PHE 87 N -5.76 2.53 0.08 5.60 0.40 -1.26 -5.00 117.98 114.57 2dmy s PHE 87 Ca -0.11 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 2dmy s PHE 87 Cb 0.28 -4.41 -0.03 0.00 0.51 0.00 0.00 43.02 39.37 2dmy s PHE 87 CO 0.79 -1.80 -0.12 0.34 0.70 0.00 0.00 175.22 175.12 2dmy s ASP 88 N 3.68 1.55 -0.30 1.36 -1.08 -1.25 -5.11 116.67 115.52 2dmy s ASP 88 Ca 0.27 -0.67 -0.13 0.00 -0.52 0.00 0.00 52.55 51.50 2dmy s ASP 88 Cb -0.13 -0.03 0.18 0.00 -1.46 0.00 0.00 42.92 41.48 2dmy s ASP 88 CO 0.12 -0.14 1.08 0.00 0.52 0.00 0.00 175.17 176.75 2dmy s ALA 89 N -1.62 -3.81 -0.32 3.66 0.00 -1.26 -5.05 121.76 113.36 2dmy s ALA 89 Ca -0.00 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.42 2dmy s ALA 89 Cb -0.08 -2.68 0.46 0.00 0.00 0.00 0.00 23.12 20.82 2dmy s ALA 89 CO 0.02 -1.76 1.15 -0.40 0.00 0.00 0.00 175.76 174.76 2dmy n ASP 90 N 5.31 4.23 -4.54 0.00 5.75 -1.26 -5.03 116.55 121.01 2dmy n ASP 90 Ca 0.00 -3.45 -0.29 0.00 -0.01 0.00 0.00 54.79 51.05 2dmy n ASP 90 Cb 0.56 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 2dmy n ASP 90 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2dmy n ILE 91 N -0.61 -0.04 -1.74 2.12 5.41 -1.26 -4.86 119.36 118.37 2dmy n ILE 91 Ca 0.36 -0.58 -0.42 0.00 1.00 0.00 0.00 62.75 63.10 2dmy n ILE 91 Cb 0.87 -2.04 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 2dmy n ILE 91 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2dmy s SER 92 N 10.48 6.44 0.00 4.38 0.15 -1.26 -4.83 113.70 129.06 2dmy s SER 92 Ca 1.05 2.73 0.00 0.00 0.70 0.00 0.00 55.95 60.43 2dmy s SER 92 Cb -0.37 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 2dmy s SER 92 CO 0.27 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2dmy n GLY 93 N 4.21 4.43 3.57 9.45 0.00 -1.26 -5.00 105.19 120.58 2dmy n GLY 93 Ca 0.17 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.97 2.54 -0.49 1.61 0.04 -1.26 -4.92 135.00 127.54 2dmy s PRO 94 Ca 0.00 -0.69 -0.17 0.00 0.04 0.00 0.00 61.00 60.17 2dmy s PRO 94 Cb 0.00 -5.15 0.07 0.00 0.04 0.00 0.00 34.50 29.46 2dmy s PRO 94 CO 0.00 -3.64 0.51 -1.54 0.04 0.00 0.00 177.00 172.37 2dmy s SER 95 N 7.32 6.18 -0.20 6.66 1.04 -1.26 -4.87 113.70 128.57 2dmy s SER 95 Ca 0.69 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 2dmy s SER 95 Cb -0.04 -2.23 -0.11 0.00 0.10 0.00 0.00 66.02 63.74 2dmy s SER 95 CO 0.05 -0.77 -0.22 -1.20 0.98 0.00 0.00 173.24 172.08 2dmy n SER 96 N 5.66 1.97 0.00 7.02 7.64 -1.26 -5.25 113.62 129.40 2dmy n SER 96 Ca -0.10 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2dmy n SER 96 Cb 0.44 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2dmy n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64