#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 3.29 0.01 1.61 0.15 -1.26 -5.05 113.70 112.45 2dmy s SER 2 Ca 0.00 -0.66 -0.25 0.00 0.70 0.00 0.00 55.95 55.74 2dmy s SER 2 Cb 0.00 -0.27 -0.19 0.00 -1.71 0.00 0.00 66.02 63.85 2dmy s SER 2 CO 0.00 0.22 1.40 -1.28 1.20 0.00 0.00 173.24 174.77 2dmy h SER 3 N 4.30 -0.00 0.00 5.45 0.87 -2.09 -3.48 113.55 118.60 2dmy h SER 3 Ca -0.49 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2dmy h SER 3 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2dmy h SER 3 CO 0.41 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.67 2dmy n GLY 4 N -0.14 0.40 3.84 5.77 0.00 -1.26 -5.14 105.19 108.65 2dmy n GLY 4 Ca -0.08 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 6.25 0.03 1.61 1.04 -1.26 -5.08 113.70 116.29 2dmy s SER 5 Ca 0.00 1.61 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 2dmy s SER 5 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 2dmy s SER 5 CO 0.00 -0.84 -0.02 -0.44 0.98 0.00 0.00 173.24 172.92 2dmy s SER 6 N -3.24 0.30 -0.67 7.02 0.01 -1.26 -4.95 113.70 110.91 2dmy s SER 6 Ca 0.59 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2dmy s SER 6 Cb -0.12 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 2dmy s SER 6 CO 0.38 -0.39 0.61 0.61 0.41 0.00 0.00 173.24 174.86 2dmy n GLY 7 N 1.16 -0.81 0.37 3.44 0.00 -1.26 -4.96 105.19 103.12 2dmy n GLY 7 Ca -0.21 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2dmy n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmy h ARG 8 N -0.25 -0.86 -1.30 1.61 -0.00 -2.05 -3.47 114.38 108.06 2dmy h ARG 8 Ca -0.23 0.06 0.15 0.00 -0.50 0.00 0.00 59.98 59.45 2dmy h ARG 8 Cb 1.12 0.20 -0.28 0.00 0.00 0.00 0.00 29.97 31.01 2dmy h ARG 8 CO 0.28 -0.55 0.72 0.21 0.00 0.00 0.00 179.97 180.63 2dmy s LYS 9 N -5.76 0.29 -0.24 0.04 2.36 -1.26 -5.15 119.74 110.02 2dmy s LYS 9 Ca -0.17 0.19 -0.04 0.00 -2.55 0.00 0.00 55.97 53.41 2dmy s LYS 9 Cb 0.03 0.14 0.01 0.00 -1.05 0.00 0.00 37.83 36.95 2dmy s LYS 9 CO 0.59 -0.07 -0.03 0.42 1.55 0.00 0.00 175.35 177.82 2dmy s ILE 10 N -0.46 3.29 -0.13 5.43 1.01 -1.26 -5.07 121.20 124.00 2dmy s ILE 10 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 2dmy s ILE 10 Cb -0.03 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.98 2dmy s ILE 10 CO -0.07 0.29 1.04 -0.22 0.00 0.00 0.00 174.94 175.98 2dmy s LEU 11 N 1.43 -0.29 0.67 2.97 2.96 -1.26 -5.17 118.68 119.98 2dmy s LEU 11 Ca 0.03 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 2dmy s LEU 11 Cb -0.15 1.74 -0.01 0.00 0.50 0.00 0.00 46.19 48.27 2dmy s LEU 11 CO -0.03 -0.38 1.07 -1.81 -1.32 0.00 0.00 176.35 173.88 2dmy s ASP 12 N -1.73 5.77 -0.84 3.68 1.01 -1.26 -5.03 116.67 118.27 2dmy s ASP 12 Ca 0.03 1.24 0.01 0.00 0.71 0.00 0.00 52.55 54.54 2dmy s ASP 12 Cb -0.01 -2.14 0.20 0.00 1.01 0.00 0.00 42.92 41.98 2dmy s ASP 12 CO -0.04 -1.14 0.70 -0.24 0.21 0.00 0.00 175.17 174.66 2dmy n SER 13 N -2.89 3.83 -2.25 0.27 2.88 -1.26 -4.91 113.62 109.29 2dmy n SER 13 Ca 0.06 -3.17 -0.27 0.00 -1.33 0.00 0.00 58.87 54.16 2dmy n SER 13 Cb 0.56 -0.95 0.04 0.00 -0.75 0.00 0.00 64.21 63.11 2dmy n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dmy n LYS 14 N 2.14 2.31 -3.75 -1.46 5.02 -1.26 -4.94 118.16 116.22 2dmy n LYS 14 Ca 0.21 -2.50 -0.37 0.00 -2.02 0.00 0.00 58.31 53.63 2dmy n LYS 14 Cb 0.36 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.31 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 -2.76 3.82 -0.68 7.82 0.00 -1.26 -5.06 121.76 123.64 2dmy s ALA 15 Ca 0.49 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2dmy s ALA 15 Cb 0.38 -2.11 0.18 0.00 0.00 0.00 0.00 23.12 21.56 2dmy s ALA 15 CO -0.08 0.58 0.59 0.42 0.00 0.00 0.00 175.76 177.27 2dmy s ILE 16 N -1.06 4.98 -1.36 0.00 1.01 -1.26 -4.60 121.20 118.91 2dmy s ILE 16 Ca 0.18 -2.28 -0.06 0.00 0.00 0.00 0.00 60.65 58.49 2dmy s ILE 16 Cb -0.14 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2dmy s ILE 16 CO 0.08 -0.93 0.97 0.47 0.00 0.00 0.00 174.94 175.52 2dmy n ASP 17 N 4.26 -3.69 0.03 3.58 9.92 -1.26 -4.90 116.55 124.49 2dmy n ASP 17 Ca 0.04 -0.69 -0.00 0.00 -0.53 0.00 0.00 54.79 53.61 2dmy n ASP 17 Cb 0.43 -4.49 -0.00 0.00 -0.64 0.00 0.00 41.12 36.42 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dmy n LEU 18 N -4.55 0.85 -0.14 0.64 4.77 -1.26 -4.69 117.00 112.61 2dmy n LEU 18 Ca -0.13 0.11 0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2dmy n LEU 18 Cb 0.60 -0.26 0.67 0.00 -2.33 0.00 0.00 43.42 42.10 2dmy n LEU 18 CO 0.68 -0.55 1.26 0.00 -1.33 0.00 0.00 177.39 177.45 2dmy h MET 19 N -0.02 0.00 -0.73 3.23 -0.00 -1.90 -2.30 114.93 113.20 2dmy h MET 19 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.82 2dmy h MET 19 Cb 0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 31.76 2dmy h MET 19 CO -0.00 0.00 -0.27 0.09 -0.00 0.00 0.00 176.91 176.73 2dmy n ASN 20 N -3.72 -0.44 -0.27 -0.10 3.02 -1.26 0.04 115.26 112.53 2dmy n ASN 20 Ca 0.18 1.28 -0.12 0.00 -0.03 0.00 0.00 54.58 55.89 2dmy n ASN 20 Cb 1.10 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 39.86 2dmy n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dmy h ALA 21 N 1.09 -0.66 -0.63 5.41 0.00 -1.72 0.81 119.26 123.56 2dmy h ALA 21 Ca 0.27 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.35 2dmy h ALA 21 Cb 0.45 1.24 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 2dmy h ALA 21 CO -0.73 -1.00 -0.33 -0.07 0.00 0.00 0.00 179.25 177.12 2dmy h LEU 22 N -0.20 -1.16 -0.89 0.00 3.38 -0.62 0.25 115.31 116.07 2dmy h LEU 22 Ca 0.11 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.40 2dmy h LEU 22 Cb 0.50 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 2dmy h LEU 22 CO -0.75 -0.30 0.54 0.24 0.09 0.00 0.00 178.44 178.26 2dmy h MET 23 N -0.14 0.90 0.70 1.13 2.86 -0.88 -2.60 114.93 116.89 2dmy h MET 23 Ca 0.25 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2dmy h MET 23 Cb 0.55 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2dmy h MET 23 CO -0.71 0.59 -0.40 0.00 1.06 0.00 0.00 176.91 177.46 2dmy h ARG 24 N 0.92 -0.99 -0.81 1.72 2.47 0.17 0.17 114.38 118.03 2dmy h ARG 24 Ca 0.42 0.07 0.19 0.00 -1.26 0.00 0.00 59.98 59.39 2dmy h ARG 24 Cb 0.32 0.23 -0.15 0.00 -1.65 0.00 0.00 29.97 28.72 2dmy h ARG 24 CO -0.22 -0.66 -0.03 1.25 0.56 0.00 0.00 179.97 180.87 2dmy h LEU 25 N -1.03 -0.45 -0.32 3.04 5.85 -0.84 0.14 115.31 121.70 2dmy h LEU 25 Ca -0.09 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2dmy h LEU 25 Cb 0.82 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2dmy h LEU 25 CO 0.11 -0.23 0.07 0.78 -0.34 0.00 0.00 178.44 178.84 2dmy h ASN 26 N 0.07 0.49 -0.55 1.25 2.35 -1.25 0.38 115.58 118.33 2dmy h ASN 26 Ca 0.44 -0.24 0.11 0.00 -0.55 0.00 0.00 56.30 56.06 2dmy h ASN 26 Cb 0.79 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 38.92 2dmy h ASN 26 CO -0.74 0.60 -0.23 1.56 -1.65 0.00 0.00 177.43 176.97 2dmy h GLN 27 N 0.36 -0.10 0.11 0.81 1.08 0.14 -0.04 115.11 117.48 2dmy h GLN 27 Ca 0.10 0.01 -0.29 0.00 -1.45 0.00 0.00 58.65 57.02 2dmy h GLN 27 Cb 0.30 0.02 0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2dmy h GLN 27 CO 0.00 -0.06 -1.21 -0.84 -0.95 0.00 0.00 178.83 175.76 2dmy h ILE 28 N -0.10 1.33 -3.17 2.54 3.07 -1.29 -3.40 117.51 116.50 2dmy h ILE 28 Ca 0.25 -2.57 -0.62 0.00 1.55 0.00 0.00 64.86 63.47 2dmy h ILE 28 Cb 0.49 2.71 -0.41 0.00 -0.27 0.00 0.00 36.82 39.35 2dmy h ILE 28 CO -0.62 0.77 -0.68 -0.13 -1.05 0.00 0.00 178.15 176.44 2dmy s ARG 29 N -2.95 1.65 0.47 0.16 1.81 0.13 -5.11 118.95 115.12 2dmy s ARG 29 Ca -0.08 -2.35 -0.22 0.00 -1.72 0.00 0.00 55.73 51.36 2dmy s ARG 29 Cb 0.06 -2.83 -0.07 0.00 -0.45 0.00 0.00 34.95 31.66 2dmy s ARG 29 CO 0.92 -1.14 1.16 -1.25 -0.68 0.00 0.00 175.30 174.30 2dmy s PRO 30 N -0.03 3.69 -0.55 3.54 0.04 -0.11 -3.95 135.00 137.62 2dmy s PRO 30 Ca 0.18 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 2dmy s PRO 30 Cb -0.24 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 2dmy s PRO 30 CO -0.01 -0.60 0.52 0.41 0.04 0.00 0.00 177.00 177.36 2dmy n GLY 31 N 0.39 -0.98 3.91 0.56 0.00 -1.26 -5.05 105.19 102.76 2dmy n GLY 31 Ca 0.08 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.51 3.99 -0.05 0.99 1.43 -1.26 -5.12 118.68 115.14 2dmy s LEU 32 Ca 0.01 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2dmy s LEU 32 Cb -0.00 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.66 2dmy s LEU 32 CO 0.55 -0.17 -0.05 0.00 0.23 0.00 0.00 176.35 176.91 2dmy s GLN 33 N -3.97 0.97 -0.10 1.70 -2.07 -1.26 -5.14 119.66 109.79 2dmy s GLN 33 Ca 0.37 -0.14 0.01 0.00 -1.82 0.00 0.00 55.36 53.78 2dmy s GLN 33 Cb -0.08 -0.97 -0.02 0.00 -1.09 0.00 0.00 33.01 30.84 2dmy s GLN 33 CO 0.28 -0.10 -0.11 0.71 -1.32 0.00 0.00 175.29 174.75 2dmy s TYR 34 N 1.02 2.82 -0.02 9.60 1.51 -1.26 -4.57 117.35 126.45 2dmy s TYR 34 Ca -0.09 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2dmy s TYR 34 Cb -0.14 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2dmy s TYR 34 CO -0.00 0.03 -0.18 0.15 -1.11 0.00 0.00 175.55 174.43 2dmy s LYS 35 N -0.18 1.60 -0.62 -0.62 -0.14 -1.07 -4.97 119.74 113.74 2dmy s LYS 35 Ca 0.01 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 2dmy s LYS 35 Cb -0.13 -1.50 0.04 0.00 -1.68 0.00 0.00 37.83 34.56 2dmy s LYS 35 CO 0.03 0.36 1.10 -1.17 -0.76 0.00 0.00 175.35 174.92 2dmy s LEU 36 N -0.31 3.71 0.15 3.17 2.96 -1.26 -1.74 118.68 125.36 2dmy s LEU 36 Ca 0.04 -0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 2dmy s LEU 36 Cb -0.08 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.82 2dmy s LEU 36 CO 0.00 -1.49 1.63 -0.07 -1.32 0.00 0.00 176.35 175.11 2dmy h LEU 37 N 11.82 -0.76 -7.12 -0.68 3.38 -0.75 -3.47 115.31 117.74 2dmy h LEU 37 Ca -0.27 0.13 0.28 0.00 0.09 0.00 0.00 57.88 58.12 2dmy h LEU 37 Cb 1.06 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 42.01 2dmy h LEU 37 CO 1.18 -0.28 0.80 -0.94 0.09 0.00 0.00 178.44 179.29 2dmy s SER 38 N -5.03 -0.11 -0.05 -0.43 1.04 -1.25 -5.04 113.70 102.84 2dmy s SER 38 Ca -0.15 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2dmy s SER 38 Cb 0.12 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2dmy s SER 38 CO 0.68 -0.29 -0.19 -1.58 0.98 0.00 0.00 173.24 172.84 2dmy s GLN 39 N -2.47 1.94 0.06 4.02 0.74 -1.26 -1.77 119.66 120.92 2dmy s GLN 39 Ca 0.11 -0.67 0.03 0.00 0.05 0.00 0.00 55.36 54.88 2dmy s GLN 39 Cb 0.01 -1.68 -0.03 0.00 1.10 0.00 0.00 33.01 32.42 2dmy s GLN 39 CO -0.04 0.28 -0.09 -1.54 -0.55 0.00 0.00 175.29 173.34 2dmy s SER 40 N -0.02 1.12 0.00 6.67 1.04 -1.11 -4.91 113.70 116.49 2dmy s SER 40 Ca -0.04 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2dmy s SER 40 Cb -0.12 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2dmy s SER 40 CO 0.02 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2dmy n GLY 41 N 1.19 -2.17 3.62 7.32 0.00 -1.26 0.68 105.19 114.56 2dmy n GLY 41 Ca -0.21 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 2dmy n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmy s PRO 42 N -0.40 -0.71 0.35 1.61 0.04 -1.26 -4.74 135.00 129.89 2dmy s PRO 42 Ca 0.00 0.11 0.19 0.00 0.04 0.00 0.00 61.00 61.34 2dmy s PRO 42 Cb 0.00 -1.64 0.30 0.00 0.04 0.00 0.00 34.50 33.19 2dmy s PRO 42 CO 0.00 -3.40 1.56 -0.24 0.04 0.00 0.00 177.00 174.95 2dmy h VAL 43 N -2.37 0.59 0.09 -0.36 3.04 -1.98 -0.94 116.25 114.33 2dmy h VAL 43 Ca -0.48 -1.72 -0.33 0.00 -1.01 0.00 0.00 66.70 63.16 2dmy h VAL 43 Cb 1.31 2.20 -0.02 0.00 -2.01 0.00 0.00 31.29 32.76 2dmy h VAL 43 CO 0.42 0.32 -1.77 1.12 -1.01 0.00 0.00 177.57 176.65 2dmy h HIS 44 N 0.00 0.34 -1.35 3.17 -0.00 -2.00 -3.38 115.15 111.92 2dmy h HIS 44 Ca -0.00 -0.25 -0.55 0.00 -0.00 0.00 0.00 60.37 59.57 2dmy h HIS 44 Cb 1.17 -0.01 -0.42 0.00 -0.00 0.00 0.00 27.41 28.15 2dmy h HIS 44 CO 0.00 1.44 -0.80 0.00 -0.00 0.00 0.00 177.93 178.57 2dmy n ALA 45 N -2.77 4.83 -1.56 6.11 0.00 -1.24 -5.08 120.51 120.80 2dmy n ALA 45 Ca -0.23 -4.10 -0.33 0.00 0.00 0.00 0.00 53.44 48.78 2dmy n ALA 45 Cb 1.05 -0.57 0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.50 2.90 -0.52 0.00 0.04 -0.36 -4.07 135.00 129.49 2dmy s PRO 46 Ca 0.46 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 2dmy s PRO 46 Cb 0.41 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 33.12 2dmy s PRO 46 CO -0.13 -1.18 0.37 0.08 0.04 0.00 0.00 177.00 176.18 2dmy s VAL 47 N -2.24 4.06 -0.53 -0.36 1.01 0.21 -4.52 120.40 118.04 2dmy s VAL 47 Ca 0.68 -2.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 2dmy s VAL 47 Cb -0.21 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2dmy s VAL 47 CO 0.39 -0.80 1.18 -0.36 0.00 0.00 0.00 175.10 175.51 2dmy s PHE 48 N 0.97 2.69 -0.25 5.22 0.40 -0.97 -2.76 117.98 123.29 2dmy s PHE 48 Ca 0.09 0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 56.80 2dmy s PHE 48 Cb -0.23 -4.48 -0.02 0.00 0.51 0.00 0.00 43.02 38.80 2dmy s PHE 48 CO -0.03 -1.46 0.58 0.99 0.70 0.00 0.00 175.22 176.01 2dmy s THR 49 N 4.77 5.02 0.39 0.64 2.01 -0.73 -2.51 115.64 125.22 2dmy s THR 49 Ca 0.46 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.58 2dmy s THR 49 Cb -0.07 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2dmy s THR 49 CO 0.29 0.06 0.36 -0.04 -0.69 0.00 0.00 174.62 174.60 2dmy s MET 50 N 2.36 2.63 -0.28 4.92 -1.94 -1.15 -0.06 119.30 125.78 2dmy s MET 50 Ca 0.24 -1.42 -0.17 0.00 -1.71 0.00 0.00 55.69 52.63 2dmy s MET 50 Cb -0.16 -2.45 0.09 0.00 2.01 0.00 0.00 34.83 34.33 2dmy s MET 50 CO 0.09 -0.09 0.76 -1.54 -0.01 0.00 0.00 175.02 174.23 2dmy s SER 51 N -4.10 -0.82 0.06 3.03 1.04 -0.71 -2.99 113.70 109.20 2dmy s SER 51 Ca 0.46 1.34 0.03 0.00 0.48 0.00 0.00 55.95 58.27 2dmy s SER 51 Cb -0.05 1.34 -0.03 0.00 0.10 0.00 0.00 66.02 67.39 2dmy s SER 51 CO 0.28 -0.21 -0.10 0.54 0.98 0.00 0.00 173.24 174.73 2dmy s VAL 52 N 1.41 0.75 -0.27 5.02 0.11 -1.03 -2.59 120.40 123.80 2dmy s VAL 52 Ca -0.08 -1.28 -0.06 0.00 -2.93 0.00 0.00 61.98 57.63 2dmy s VAL 52 Cb -0.05 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2dmy s VAL 52 CO -0.17 -0.41 0.05 1.51 -3.33 0.00 0.00 175.10 172.76 2dmy s ASP 53 N -1.85 4.95 -0.06 3.54 -4.77 -1.26 -0.38 116.67 116.85 2dmy s ASP 53 Ca -0.04 -0.61 0.02 0.00 -3.30 0.00 0.00 52.55 48.62 2dmy s ASP 53 Cb -0.08 -1.85 0.01 0.00 -1.09 0.00 0.00 42.92 39.91 2dmy s ASP 53 CO 0.00 -0.14 -0.11 -0.69 0.70 0.00 0.00 175.17 174.93 2dmy s VAL 54 N 1.50 1.04 -1.74 2.11 1.01 -0.75 -4.80 120.40 118.77 2dmy s VAL 54 Ca 0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2dmy s VAL 54 Cb -0.16 -0.96 0.16 0.00 0.00 0.00 0.00 36.38 35.42 2dmy s VAL 54 CO 0.01 0.33 0.63 -0.67 0.00 0.00 0.00 175.10 175.40 2dmy n ASP 55 N 3.80 -2.20 -1.66 3.32 2.03 -1.26 0.11 116.55 120.69 2dmy n ASP 55 Ca -0.23 -1.12 -0.12 0.00 0.52 0.00 0.00 54.79 53.83 2dmy n ASP 55 Cb 0.52 -2.26 0.01 0.00 -0.72 0.00 0.00 41.12 38.67 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmy n GLY 56 N -1.42 -0.05 2.72 0.27 0.00 -1.26 -5.01 105.19 100.44 2dmy n GLY 56 Ca 0.03 -0.31 -0.29 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 -2.79 0.66 -0.48 2.61 2.01 0.29 -5.10 115.64 112.85 2dmy s THR 57 Ca 0.11 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2dmy s THR 57 Cb -0.05 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2dmy s THR 57 CO 0.14 -0.50 1.30 -0.89 -0.69 0.00 0.00 174.62 173.97 2dmy s THR 58 N 1.75 4.00 0.33 -0.82 2.01 -1.26 -1.81 115.64 119.84 2dmy s THR 58 Ca 0.05 0.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.02 2dmy s THR 58 Cb -0.17 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2dmy s THR 58 CO -0.20 -0.98 0.55 -0.31 -0.69 0.00 0.00 174.62 172.99 2dmy s TYR 59 N 5.17 3.50 -0.10 4.92 1.51 0.49 -4.93 117.35 127.91 2dmy s TYR 59 Ca 0.53 0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 57.00 2dmy s TYR 59 Cb -0.10 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2dmy s TYR 59 CO 0.30 0.13 0.21 -1.21 -1.11 0.00 0.00 175.55 173.87 2dmy s GLU 60 N -4.06 0.12 -0.17 -0.62 2.02 -1.26 -2.47 118.70 112.26 2dmy s GLU 60 Ca 0.41 0.57 -0.05 0.00 0.02 0.00 0.00 54.97 55.92 2dmy s GLU 60 Cb -0.10 -0.15 0.08 0.00 0.10 0.00 0.00 34.13 34.06 2dmy s GLU 60 CO 0.34 -0.24 0.31 0.00 0.02 0.00 0.00 175.26 175.69 2dmy s ALA 61 N 1.84 -0.72 0.32 5.21 0.00 -1.16 -4.90 121.76 122.34 2dmy s ALA 61 Ca -0.03 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.93 2dmy s ALA 61 Cb -0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2dmy s ALA 61 CO -0.07 -0.81 0.49 0.45 0.00 0.00 0.00 175.76 175.82 2dmy s SER 62 N 2.47 6.26 0.24 0.00 0.15 -1.26 -2.95 113.70 118.61 2dmy s SER 62 Ca 0.03 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 2dmy s SER 62 Cb -0.13 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.30 2dmy s SER 62 CO -0.11 -0.25 0.45 0.61 1.20 0.00 0.00 173.24 175.15 2dmy n GLY 63 N -1.67 1.65 0.24 9.45 0.00 -1.04 -4.75 105.19 109.07 2dmy n GLY 63 Ca -0.06 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.82 2dmy n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmy h PRO 64 N 0.00 0.00 -4.02 1.61 0.13 -1.89 -2.56 132.00 125.27 2dmy h PRO 64 Ca -0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 2dmy h PRO 64 Cb 0.78 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.79 2dmy h PRO 64 CO 0.26 0.15 -0.37 0.45 -0.23 0.00 0.00 178.00 178.26 2dmy s SER 65 N -6.06 0.07 0.20 1.44 0.15 -1.26 -4.55 113.70 103.68 2dmy s SER 65 Ca -0.00 -1.00 -0.11 0.00 0.70 0.00 0.00 55.95 55.54 2dmy s SER 65 Cb 0.11 0.43 0.20 0.00 -1.71 0.00 0.00 66.02 65.05 2dmy s SER 65 CO 0.60 -0.91 1.78 0.50 1.20 0.00 0.00 173.24 176.42 2dmy h LYS 66 N 2.55 0.52 0.45 5.44 3.64 -1.88 -1.64 116.57 125.65 2dmy h LYS 66 Ca -0.32 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2dmy h LYS 66 Cb 1.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2dmy h LYS 66 CO 0.48 0.34 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.41 2dmy h LYS 67 N 0.53 -0.78 -0.95 1.90 3.64 -1.96 -1.09 116.57 117.86 2dmy h LYS 67 Ca 0.27 0.05 0.24 0.00 -1.27 0.00 0.00 60.65 59.94 2dmy h LYS 67 Cb 0.21 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.08 2dmy h LYS 67 CO -0.20 -0.52 0.49 1.79 -2.27 0.00 0.00 179.45 178.74 2dmy h THR 68 N -0.81 0.49 -0.05 1.00 1.35 -1.93 0.80 112.91 113.75 2dmy h THR 68 Ca -0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2dmy h THR 68 Cb 0.68 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2dmy h THR 68 CO -0.00 0.09 0.03 0.00 -0.25 0.00 0.00 175.52 175.38 2dmy h ALA 69 N 1.73 0.06 -0.79 6.62 0.00 -0.88 0.29 119.26 126.28 2dmy h ALA 69 Ca 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 2dmy h ALA 69 Cb 1.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2dmy h ALA 69 CO -0.51 -0.44 0.33 0.87 0.00 0.00 0.00 179.25 179.50 2dmy h LYS 70 N 0.06 1.18 -0.37 0.00 1.57 0.30 -1.99 116.57 117.33 2dmy h LYS 70 Ca 0.02 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2dmy h LYS 70 Cb -0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2dmy h LYS 70 CO -0.00 0.94 -0.11 1.25 -0.57 0.00 0.00 179.45 180.96 2dmy h LEU 71 N 1.15 0.73 0.77 2.94 5.85 -0.66 -3.13 115.31 122.96 2dmy h LEU 71 Ca 0.27 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2dmy h LEU 71 Cb 0.19 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2dmy h LEU 71 CO -0.03 0.94 -0.47 0.45 -0.34 0.00 0.00 178.44 179.00 2dmy h HIS 72 N 0.52 -1.24 -0.99 1.25 3.86 -0.20 -2.47 115.15 115.88 2dmy h HIS 72 Ca 0.09 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 2dmy h HIS 72 Cb 0.63 0.44 -0.14 0.00 1.06 0.00 0.00 27.41 29.40 2dmy h HIS 72 CO 0.05 -0.70 -0.50 0.28 0.86 0.00 0.00 177.93 177.92 2dmy n VAL 73 N -5.61 -0.61 -0.17 2.45 0.31 -0.77 0.02 118.33 113.97 2dmy n VAL 73 Ca -0.15 2.36 -0.02 0.00 -0.01 0.00 0.00 64.34 66.53 2dmy n VAL 73 Cb 0.48 -3.01 0.06 0.00 -0.91 0.00 0.00 33.84 30.47 2dmy n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dmy h ALA 74 N 0.88 0.46 -0.90 3.52 0.00 -1.48 -0.55 119.26 121.19 2dmy h ALA 74 Ca 0.24 0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.54 2dmy h ALA 74 Cb 0.49 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 2dmy h ALA 74 CO -0.95 -0.40 0.40 0.28 0.00 0.00 0.00 179.25 178.57 2dmy h VAL 75 N 0.09 0.47 -0.00 0.00 2.07 0.08 -0.32 116.25 118.63 2dmy h VAL 75 Ca 0.26 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2dmy h VAL 75 Cb 0.40 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2dmy h VAL 75 CO -0.46 0.07 0.00 0.11 0.02 0.00 0.00 177.57 177.31 2dmy h LYS 76 N 0.40 0.00 -0.47 1.57 1.57 -0.57 -2.02 116.57 117.06 2dmy h LYS 76 Ca 0.56 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.44 2dmy h LYS 76 Cb 1.07 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 2dmy h LYS 76 CO -0.53 0.18 -0.26 0.28 -0.57 0.00 0.00 179.45 178.55 2dmy h VAL 77 N -0.17 0.29 -0.45 0.50 2.07 -0.66 0.82 116.25 118.65 2dmy h VAL 77 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2dmy h VAL 77 Cb 0.18 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2dmy h VAL 77 CO -0.00 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.79 2dmy h LEU 78 N -0.16 0.46 -0.89 2.57 3.38 -1.34 -2.30 115.31 117.02 2dmy h LEU 78 Ca 0.21 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.25 2dmy h LEU 78 Cb 0.50 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 2dmy h LEU 78 CO -0.56 0.33 0.55 1.56 0.09 0.00 0.00 178.44 180.41 2dmy h GLN 79 N 0.56 0.95 -0.02 1.13 4.20 -0.42 0.27 115.11 121.77 2dmy h GLN 79 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2dmy h GLN 79 Cb -0.02 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 2dmy h GLN 79 CO -0.07 0.63 0.01 0.00 -0.67 0.00 0.00 178.83 178.73 2dmy h ALA 80 N 1.44 0.03 -0.07 3.87 0.00 -0.37 -2.61 119.26 121.55 2dmy h ALA 80 Ca 0.40 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2dmy h ALA 80 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dmy h ALA 80 CO -0.20 -0.47 -0.36 0.52 0.00 0.00 0.00 179.25 178.74 2dmy h MET 81 N 0.01 0.14 0.00 0.00 2.86 -0.95 -3.47 114.93 113.52 2dmy h MET 81 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dmy h MET 81 Cb 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2dmy h MET 81 CO -0.00 0.49 0.00 0.41 1.06 0.00 0.00 176.91 178.87 2dmy n GLY 82 N -0.37 1.00 3.71 8.32 0.00 0.69 -5.11 105.19 113.42 2dmy n GLY 82 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 3.01 -0.24 1.61 2.02 0.26 -5.00 117.35 117.01 2dmy s TYR 83 Ca 0.00 -0.03 -0.29 0.00 -0.37 0.00 0.00 57.07 56.38 2dmy s TYR 83 Cb 0.00 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2dmy s TYR 83 CO 0.00 0.49 1.62 -1.25 -1.57 0.00 0.00 175.55 174.85 2dmy s PRO 84 N -2.51 3.75 -0.21 -1.71 0.04 -1.26 -4.23 135.00 128.87 2dmy s PRO 84 Ca 0.27 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.99 2dmy s PRO 84 Cb -0.11 -4.05 -0.21 0.00 0.04 0.00 0.00 34.50 30.17 2dmy s PRO 84 CO 0.19 -1.35 -0.01 0.25 0.04 0.00 0.00 177.00 176.13 2dmy n THR 85 N 6.51 1.51 0.00 1.26 -2.24 -1.26 -5.00 114.28 115.06 2dmy n THR 85 Ca 0.19 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2dmy n THR 85 Cb 0.45 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 2.03 1.70 3.44 3.38 0.00 -1.26 -4.79 105.19 109.69 2dmy n GLY 86 Ca -0.38 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 2.97 -0.02 1.61 5.36 -1.26 -5.01 117.98 121.62 2dmy s PHE 87 Ca 0.00 -0.57 -0.17 0.00 -0.96 0.00 0.00 56.93 55.23 2dmy s PHE 87 Cb 0.00 -3.79 0.03 0.00 -0.34 0.00 0.00 43.02 38.92 2dmy s PHE 87 CO 0.00 -1.20 0.37 0.34 -1.46 0.00 0.00 175.22 173.28 2dmy s ASP 88 N 3.02 -0.27 -0.30 6.13 2.15 -1.26 -5.02 116.67 121.12 2dmy s ASP 88 Ca 0.17 0.21 -0.13 0.00 0.43 0.00 0.00 52.55 53.23 2dmy s ASP 88 Cb -0.19 0.37 0.18 0.00 -0.30 0.00 0.00 42.92 42.97 2dmy s ASP 88 CO 0.11 -0.46 1.07 0.00 -0.17 0.00 0.00 175.17 175.72 2dmy s ALA 89 N -1.25 -3.79 -0.46 3.66 0.00 -1.26 -5.05 121.76 113.61 2dmy s ALA 89 Ca -0.13 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.24 2dmy s ALA 89 Cb -0.04 -2.68 0.44 0.00 0.00 0.00 0.00 23.12 20.84 2dmy s ALA 89 CO 0.05 -1.77 1.46 -0.40 0.00 0.00 0.00 175.76 175.10 2dmy n ASP 90 N 5.31 5.81 -4.75 0.00 5.75 -1.26 -5.05 116.55 122.36 2dmy n ASP 90 Ca 0.00 -3.76 -0.39 0.00 -0.01 0.00 0.00 54.79 50.63 2dmy n ASP 90 Cb 0.56 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2dmy n ILE 91 N -0.71 3.34 -3.80 2.12 -5.35 -1.26 -2.56 119.36 111.14 2dmy n ILE 91 Ca 0.49 -0.50 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 2dmy n ILE 91 Cb 0.78 -1.73 0.04 0.00 -1.74 0.00 0.00 39.64 37.00 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 -0.60 -4.37 -3.90 7.28 7.64 -1.26 -4.94 113.62 113.46 2dmy n SER 92 Ca 0.08 -0.73 -0.29 0.00 1.01 0.00 0.00 58.87 58.94 2dmy n SER 92 Cb 0.43 -4.19 -0.13 0.00 -1.01 0.00 0.00 64.21 59.31 2dmy n SER 92 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmy s GLY 93 N -3.54 2.73 0.89 0.23 0.00 -1.06 -5.10 107.32 101.47 2dmy s GLY 93 Ca 0.51 -3.62 -0.11 0.00 0.00 0.00 0.00 44.72 41.49 2dmy s GLY 93 CO 0.80 1.10 1.09 2.56 0.00 0.00 0.00 173.10 178.65 2dmy s PRO 94 N -1.05 1.34 0.98 2.90 0.04 -1.26 -5.03 135.00 132.92 2dmy s PRO 94 Ca 0.23 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 2dmy s PRO 94 Cb -0.11 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2dmy s PRO 94 CO -0.12 -2.19 1.10 -1.54 0.04 0.00 0.00 177.00 174.29 2dmy s SER 95 N -3.42 2.76 0.19 6.66 1.04 -1.26 -5.08 113.70 114.59 2dmy s SER 95 Ca 0.63 1.21 0.08 0.00 0.48 0.00 0.00 55.95 58.36 2dmy s SER 95 Cb -0.18 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 2dmy s SER 95 CO 0.57 -3.05 -0.16 -0.94 0.98 0.00 0.00 173.24 170.64 2dmy s SER 96 N -3.48 2.66 0.00 7.02 1.04 -1.26 -5.31 113.70 114.36 2dmy s SER 96 Ca 0.65 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dmy s SER 96 Cb -0.18 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2dmy s SER 96 CO 0.57 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.29