#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 1.55 -0.02 1.61 1.04 -1.26 -4.94 113.70 111.68 2dmy s SER 2 Ca 0.00 0.82 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 2dmy s SER 2 Cb 0.00 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.91 2dmy s SER 2 CO 0.00 -3.76 0.07 -0.94 0.98 0.00 0.00 173.24 169.60 2dmy s SER 3 N -3.75 -0.04 -0.19 7.02 1.04 -1.26 -5.07 113.70 111.45 2dmy s SER 3 Ca 0.69 0.06 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 2dmy s SER 3 Cb -0.13 0.16 -0.19 0.00 0.10 0.00 0.00 66.02 65.96 2dmy s SER 3 CO 0.57 -0.09 0.31 1.23 0.98 0.00 0.00 173.24 176.24 2dmy h GLY 4 N 5.72 0.00 -6.29 7.32 0.00 -2.01 -3.47 103.07 104.33 2dmy h GLY 4 Ca -0.26 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.60 2dmy h GLY 4 CO 0.45 0.00 -0.70 1.44 0.00 0.00 0.00 176.54 177.73 2dmy n SER 5 N -4.49 -0.75 -4.61 0.19 7.64 -1.26 -4.75 113.62 105.59 2dmy n SER 5 Ca -0.25 -0.95 -0.43 0.00 1.01 0.00 0.00 58.87 58.25 2dmy n SER 5 Cb 0.60 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 2dmy n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmy s SER 6 N -3.10 6.08 0.00 6.43 0.15 -1.26 -4.88 113.70 117.13 2dmy s SER 6 Ca 0.44 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2dmy s SER 6 Cb -0.26 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2dmy s SER 6 CO 0.77 -1.55 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2dmy n GLY 7 N 5.19 1.32 3.28 9.45 0.00 -1.26 -5.03 105.19 118.14 2dmy n GLY 7 Ca 0.21 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 2dmy n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dmy s ARG 8 N 1.75 3.32 -0.11 1.61 3.52 -1.26 -4.88 118.95 122.90 2dmy s ARG 8 Ca 0.00 -2.36 0.04 0.00 -0.13 0.00 0.00 55.73 53.28 2dmy s ARG 8 Cb 0.00 -4.28 0.29 0.00 -1.56 0.00 0.00 34.95 29.40 2dmy s ARG 8 CO 0.00 -1.27 1.06 0.36 -0.81 0.00 0.00 175.30 174.64 2dmy n LYS 9 N 4.07 2.18 -1.93 5.12 -0.00 -1.26 -4.34 118.16 121.99 2dmy n LYS 9 Ca 0.09 -1.15 -0.39 0.00 -0.00 0.00 0.00 58.31 56.86 2dmy n LYS 9 Cb 0.44 -1.69 0.04 0.00 -0.00 0.00 0.00 35.03 33.82 2dmy n LYS 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2dmy n ILE 10 N 0.14 3.52 -3.77 0.58 2.08 -1.26 -4.92 119.36 115.73 2dmy n ILE 10 Ca 0.13 -4.29 -0.13 0.00 0.56 0.00 0.00 62.75 59.03 2dmy n ILE 10 Cb 0.69 -1.24 -0.13 0.00 -0.75 0.00 0.00 39.64 38.21 2dmy n ILE 10 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2dmy s LEU 11 N -4.03 0.89 -0.06 1.39 1.43 -1.26 -5.16 118.68 111.88 2dmy s LEU 11 Ca 0.52 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 2dmy s LEU 11 Cb 0.44 0.52 0.02 0.00 0.03 0.00 0.00 46.19 47.21 2dmy s LEU 11 CO -0.39 -0.12 0.26 -0.62 0.23 0.00 0.00 176.35 175.72 2dmy s ASP 12 N 0.79 -0.21 0.15 2.29 2.15 -1.26 -5.13 116.67 115.45 2dmy s ASP 12 Ca -0.06 0.28 0.06 0.00 0.43 0.00 0.00 52.55 53.27 2dmy s ASP 12 Cb -0.07 0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 42.93 2dmy s ASP 12 CO -0.04 -0.25 -0.14 -0.44 -0.17 0.00 0.00 175.17 174.13 2dmy s SER 13 N -0.57 2.21 0.06 -0.34 0.01 -1.26 -5.14 113.70 108.67 2dmy s SER 13 Ca -0.07 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 56.07 2dmy s SER 13 Cb -0.04 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.04 2dmy s SER 13 CO 0.02 -0.17 0.64 -0.54 0.41 0.00 0.00 173.24 173.60 2dmy s LYS 14 N -3.15 4.34 -0.10 12.44 -0.14 -1.26 -5.07 119.74 126.80 2dmy s LYS 14 Ca 0.15 0.85 -0.09 0.00 -1.36 0.00 0.00 55.97 55.52 2dmy s LYS 14 Cb -0.02 -3.30 0.03 0.00 -1.68 0.00 0.00 37.83 32.85 2dmy s LYS 14 CO 0.04 0.48 0.27 0.00 -0.76 0.00 0.00 175.35 175.38 2dmy s ALA 15 N -0.63 -0.67 -0.53 5.17 0.00 -1.26 -5.10 121.76 118.75 2dmy s ALA 15 Ca 0.32 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 2dmy s ALA 15 Cb -0.20 -0.43 0.14 0.00 0.00 0.00 0.00 23.12 22.63 2dmy s ALA 15 CO 0.20 -0.13 0.33 0.42 0.00 0.00 0.00 175.76 176.58 2dmy s ILE 16 N 0.10 3.50 -0.67 0.00 1.01 -1.26 -4.64 121.20 119.24 2dmy s ILE 16 Ca -0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 60.65 58.03 2dmy s ILE 16 Cb -0.02 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.12 2dmy s ILE 16 CO 0.00 -0.80 0.50 0.47 0.00 0.00 0.00 174.94 175.12 2dmy n ASP 17 N 3.96 -4.02 0.03 3.58 8.00 -1.26 -4.95 116.55 121.88 2dmy n ASP 17 Ca 0.03 -0.23 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 2dmy n ASP 17 Cb 0.39 -2.67 -0.00 0.00 -0.02 0.00 0.00 41.12 38.82 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dmy n LEU 18 N -2.52 0.89 0.21 0.64 4.77 -1.26 -4.66 117.00 115.06 2dmy n LEU 18 Ca -0.01 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2dmy n LEU 18 Cb 0.54 -0.28 0.40 0.00 -2.33 0.00 0.00 43.42 41.74 2dmy n LEU 18 CO 0.29 -0.51 1.10 0.00 -1.33 0.00 0.00 177.39 176.95 2dmy h MET 19 N -0.07 0.00 -0.19 3.23 -0.00 -1.92 -1.43 114.93 114.55 2dmy h MET 19 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.72 2dmy h MET 19 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.88 2dmy h MET 19 CO -0.01 0.00 -0.51 -0.91 -0.00 0.00 0.00 176.91 175.48 2dmy h ASN 20 N 0.00 -1.63 -0.72 -0.10 4.21 -1.99 -2.08 115.58 113.27 2dmy h ASN 20 Ca 0.11 0.20 0.10 0.00 1.21 0.00 0.00 56.30 57.92 2dmy h ASN 20 Cb 1.68 0.65 -0.11 0.00 -1.12 0.00 0.00 38.32 39.43 2dmy h ASN 20 CO -0.00 -0.46 -0.33 0.00 -1.29 0.00 0.00 177.43 175.36 2dmy n ALA 21 N -3.01 -0.21 -0.20 -0.83 0.00 -0.54 0.79 120.51 116.51 2dmy n ALA 21 Ca -0.05 0.68 -0.04 0.00 0.00 0.00 0.00 53.44 54.03 2dmy n ALA 21 Cb 0.37 -0.25 0.02 0.00 0.00 0.00 0.00 19.45 19.59 2dmy n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dmy h LEU 22 N 0.00 -1.04 -0.73 0.00 3.38 -1.57 0.31 115.31 115.66 2dmy h LEU 22 Ca 0.20 0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.31 2dmy h LEU 22 Cb 0.38 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2dmy h LEU 22 CO -0.70 -0.29 0.05 0.24 0.09 0.00 0.00 178.44 177.83 2dmy h MET 23 N -0.13 1.02 0.00 1.13 2.86 0.43 -2.15 114.93 118.09 2dmy h MET 23 Ca 0.25 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dmy h MET 23 Cb 0.54 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2dmy h MET 23 CO -0.67 0.97 -0.01 0.00 1.06 0.00 0.00 176.91 178.25 2dmy h ARG 24 N 0.94 0.00 0.17 1.72 -0.00 0.19 0.16 114.38 117.57 2dmy h ARG 24 Ca 0.18 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.33 2dmy h ARG 24 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.46 2dmy h ARG 24 CO 0.02 0.01 -1.59 1.25 0.00 0.00 0.00 179.97 179.66 2dmy h LEU 25 N 0.00 0.58 0.15 3.04 5.85 0.13 -3.35 115.31 121.71 2dmy h LEU 25 Ca -0.00 -0.77 -0.26 0.00 0.84 0.00 0.00 57.88 57.70 2dmy h LEU 25 Cb 0.26 -0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.13 2dmy h LEU 25 CO 0.00 1.63 -1.10 0.78 -0.34 0.00 0.00 178.44 179.41 2dmy h ASN 26 N 0.10 0.71 -1.16 1.25 2.35 -1.05 -1.85 115.58 115.94 2dmy h ASN 26 Ca -0.28 -0.88 0.34 0.00 -0.55 0.00 0.00 56.30 54.93 2dmy h ASN 26 Cb 2.08 -0.23 -0.11 0.00 0.05 0.00 0.00 38.32 40.11 2dmy h ASN 26 CO 0.20 1.53 0.75 0.06 -1.65 0.00 0.00 177.43 178.31 2dmy h GLN 27 N 0.01 0.24 0.08 0.81 3.07 -0.85 -0.29 115.11 118.17 2dmy h GLN 27 Ca -0.18 -0.01 -0.37 0.00 0.09 0.00 0.00 58.65 58.18 2dmy h GLN 27 Cb 1.83 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 29.30 2dmy h GLN 27 CO 0.21 0.16 -2.13 0.44 0.09 0.00 0.00 178.83 177.60 2dmy n ILE 28 N -4.65 1.67 -3.83 1.86 -5.35 -1.24 -4.73 119.36 103.09 2dmy n ILE 28 Ca 0.30 -0.65 -0.29 0.00 -0.27 0.00 0.00 62.75 61.84 2dmy n ILE 28 Cb 1.12 -1.54 -0.13 0.00 -1.74 0.00 0.00 39.64 37.35 2dmy n ILE 28 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2dmy s ARG 29 N -2.55 1.73 0.41 6.28 1.81 -0.21 -5.11 118.95 121.31 2dmy s ARG 29 Ca -0.24 -2.45 -0.25 0.00 -1.72 0.00 0.00 55.73 51.07 2dmy s ARG 29 Cb 0.07 -2.87 -0.08 0.00 -0.45 0.00 0.00 34.95 31.62 2dmy s ARG 29 CO 0.73 -1.16 1.19 -1.25 -0.68 0.00 0.00 175.30 174.12 2dmy s PRO 30 N -0.17 3.99 -0.41 3.54 0.04 -0.67 -4.18 135.00 137.13 2dmy s PRO 30 Ca 0.19 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2dmy s PRO 30 Cb -0.21 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2dmy s PRO 30 CO -0.03 -0.38 0.37 0.41 0.04 0.00 0.00 177.00 177.41 2dmy n GLY 31 N 0.61 -0.25 3.94 0.56 0.00 -1.26 -5.05 105.19 103.74 2dmy n GLY 31 Ca 0.05 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.62 4.21 -0.23 0.99 1.43 -1.26 -4.81 118.68 115.39 2dmy s LEU 32 Ca 0.13 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2dmy s LEU 32 Cb -0.02 -3.12 0.07 0.00 0.03 0.00 0.00 46.19 43.15 2dmy s LEU 32 CO 0.32 -0.09 0.04 0.00 0.23 0.00 0.00 176.35 176.85 2dmy s GLN 33 N -3.65 0.76 -0.25 1.70 -2.07 -1.26 -4.79 119.66 110.10 2dmy s GLN 33 Ca 0.38 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 53.09 2dmy s GLN 33 Cb -0.10 -2.10 -0.03 0.00 -1.09 0.00 0.00 33.01 29.68 2dmy s GLN 33 CO 0.30 -0.74 0.46 0.71 -1.32 0.00 0.00 175.29 174.71 2dmy s TYR 34 N 1.75 3.28 -0.02 9.60 2.02 -1.26 -4.73 117.35 127.99 2dmy s TYR 34 Ca 0.02 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.29 2dmy s TYR 34 Cb -0.17 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 2dmy s TYR 34 CO -0.13 -0.21 0.10 0.21 -1.57 0.00 0.00 175.55 173.94 2dmy s LYS 35 N 2.05 3.15 -0.80 -0.62 2.20 -0.88 -4.87 119.74 119.97 2dmy s LYS 35 Ca 0.19 -0.43 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 2dmy s LYS 35 Cb -0.16 -2.92 0.14 0.00 -1.51 0.00 0.00 37.83 33.38 2dmy s LYS 35 CO 0.09 0.67 0.93 -1.17 -0.36 0.00 0.00 175.35 175.51 2dmy s LEU 36 N -1.67 5.47 0.27 5.43 2.96 -1.26 -0.82 118.68 129.07 2dmy s LEU 36 Ca 0.22 -1.96 -0.10 0.00 -0.22 0.00 0.00 54.13 52.07 2dmy s LEU 36 Cb -0.12 -2.33 0.41 0.00 0.50 0.00 0.00 46.19 44.65 2dmy s LEU 36 CO 0.13 -0.99 1.55 0.18 -1.32 0.00 0.00 176.35 175.90 2dmy n LEU 37 N 6.00 -0.42 -3.60 -0.68 4.77 0.26 -4.77 117.00 118.55 2dmy n LEU 37 Ca 0.11 1.71 -0.03 0.00 -0.03 0.00 0.00 56.01 57.78 2dmy n LEU 37 Cb 0.47 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2dmy n LEU 37 CO 0.49 -1.62 0.98 -0.55 -1.33 0.00 0.00 177.39 175.37 2dmy s SER 38 N -5.28 -0.14 -0.06 -1.43 0.15 -1.25 -5.06 113.70 100.63 2dmy s SER 38 Ca -0.15 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dmy s SER 38 Cb 0.25 0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 2dmy s SER 38 CO 0.76 -0.31 -0.05 -1.58 1.20 0.00 0.00 173.24 173.26 2dmy s GLN 39 N -2.52 1.00 0.18 5.44 0.74 -1.26 -2.36 119.66 120.88 2dmy s GLN 39 Ca 0.10 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.41 2dmy s GLN 39 Cb 0.01 -1.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.02 2dmy s GLN 39 CO -0.04 -0.14 0.01 0.45 -0.55 0.00 0.00 175.29 175.02 2dmy s SER 40 N 1.21 1.18 0.00 6.67 0.15 -1.17 -4.92 113.70 116.83 2dmy s SER 40 Ca -0.06 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2dmy s SER 40 Cb -0.14 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2dmy s SER 40 CO -0.02 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2dmy n GLY 41 N -0.26 -1.51 3.61 9.45 0.00 -1.26 -0.05 105.19 115.17 2dmy n GLY 41 Ca -0.06 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.38 -0.94 0.19 1.61 0.04 -1.25 -4.78 135.00 129.50 2dmy s PRO 42 Ca 0.00 0.04 0.11 0.00 0.04 0.00 0.00 61.00 61.19 2dmy s PRO 42 Cb 0.00 -1.62 -0.09 0.00 0.04 0.00 0.00 34.50 32.83 2dmy s PRO 42 CO 0.00 -3.55 1.35 -0.24 0.04 0.00 0.00 177.00 174.61 2dmy h VAL 43 N -2.46 1.33 0.00 -0.36 3.04 -1.99 -2.22 116.25 113.60 2dmy h VAL 43 Ca -0.47 -2.88 -0.11 0.00 -1.01 0.00 0.00 66.70 62.23 2dmy h VAL 43 Cb 1.30 2.66 -0.02 0.00 -2.01 0.00 0.00 31.29 33.22 2dmy h VAL 43 CO 0.39 0.76 -1.35 0.00 -1.01 0.00 0.00 177.57 176.36 2dmy n HIS 44 N -3.29 0.88 -2.69 3.17 1.44 -1.26 -4.36 115.22 109.10 2dmy n HIS 44 Ca 0.01 0.28 -0.20 0.00 -2.01 0.00 0.00 57.72 55.79 2dmy n HIS 44 Cb 0.85 -1.00 -0.00 0.00 0.12 0.00 0.00 29.99 29.96 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 -2.33 4.13 -1.77 1.59 0.00 -1.24 -5.10 120.51 115.80 2dmy n ALA 45 Ca -0.07 -3.91 -0.36 0.00 0.00 0.00 0.00 53.44 49.11 2dmy n ALA 45 Cb 0.73 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.27 3.46 -0.49 0.00 0.04 -0.83 -3.78 135.00 130.13 2dmy s PRO 46 Ca 0.41 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 2dmy s PRO 46 Cb 0.39 -2.11 0.13 0.00 0.04 0.00 0.00 34.50 32.95 2dmy s PRO 46 CO -0.10 -0.77 0.37 0.08 0.04 0.00 0.00 177.00 176.62 2dmy s VAL 47 N -1.71 4.31 -0.60 -0.36 1.01 0.93 -4.29 120.40 119.69 2dmy s VAL 47 Ca 0.70 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 2dmy s VAL 47 Cb -0.25 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2dmy s VAL 47 CO 0.29 -0.80 1.01 -0.36 0.00 0.00 0.00 175.10 175.24 2dmy s PHE 48 N 1.29 2.69 -0.51 5.22 0.40 -0.84 -3.06 117.98 123.16 2dmy s PHE 48 Ca 0.06 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 56.07 2dmy s PHE 48 Cb -0.26 -4.23 0.05 0.00 0.51 0.00 0.00 43.02 39.09 2dmy s PHE 48 CO -0.01 -1.53 0.75 0.99 0.70 0.00 0.00 175.22 176.12 2dmy s THR 49 N 4.28 4.68 0.40 0.64 2.01 -0.99 -2.21 115.64 124.44 2dmy s THR 49 Ca 0.30 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.24 2dmy s THR 49 Cb -0.13 -4.38 -0.00 0.00 0.01 0.00 0.00 72.50 68.00 2dmy s THR 49 CO 0.17 -0.89 0.58 -0.04 -0.69 0.00 0.00 174.62 173.75 2dmy s MET 50 N 3.16 3.05 -0.14 4.92 -1.94 -1.06 -0.57 119.30 126.71 2dmy s MET 50 Ca 0.22 -0.78 -0.21 0.00 -1.71 0.00 0.00 55.69 53.20 2dmy s MET 50 Cb -0.16 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.05 2dmy s MET 50 CO 0.16 -0.14 0.55 -1.54 -0.01 0.00 0.00 175.02 174.04 2dmy s SER 51 N -4.21 -0.54 0.04 3.03 1.04 0.00 -2.23 113.70 110.83 2dmy s SER 51 Ca 0.48 0.86 0.01 0.00 0.48 0.00 0.00 55.95 57.77 2dmy s SER 51 Cb -0.10 0.86 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 2dmy s SER 51 CO 0.34 -0.34 -0.05 0.54 0.98 0.00 0.00 173.24 174.72 2dmy s VAL 52 N -0.33 0.31 -0.26 5.02 0.11 -1.04 -2.06 120.40 122.16 2dmy s VAL 52 Ca -0.05 -1.19 -0.02 0.00 -2.93 0.00 0.00 61.98 57.79 2dmy s VAL 52 Cb -0.03 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2dmy s VAL 52 CO 0.04 -0.57 -0.04 1.51 -3.33 0.00 0.00 175.10 172.71 2dmy s ASP 53 N -1.85 4.46 -0.02 3.54 1.47 -1.26 -0.41 116.67 122.59 2dmy s ASP 53 Ca -0.08 -0.88 0.01 0.00 1.18 0.00 0.00 52.55 52.78 2dmy s ASP 53 Cb -0.06 -1.70 0.02 0.00 -0.34 0.00 0.00 42.92 40.84 2dmy s ASP 53 CO -0.02 -0.14 -0.02 -0.69 0.68 0.00 0.00 175.17 174.97 2dmy s VAL 54 N 1.34 0.30 -1.57 2.11 1.01 -0.81 -4.85 120.40 117.94 2dmy s VAL 54 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2dmy s VAL 54 Cb -0.17 -0.34 0.07 0.00 0.00 0.00 0.00 36.38 35.94 2dmy s VAL 54 CO -0.03 0.15 0.46 -0.67 0.00 0.00 0.00 175.10 175.00 2dmy n ASP 55 N 3.74 -1.07 -2.07 3.32 -0.08 -1.26 0.11 116.55 119.24 2dmy n ASP 55 Ca -0.22 -1.09 -0.20 0.00 -1.51 0.00 0.00 54.79 51.77 2dmy n ASP 55 Cb 0.53 -2.53 -0.03 0.00 2.34 0.00 0.00 41.12 41.43 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 -1.86 0.10 2.85 0.27 0.00 -1.26 -4.97 105.19 100.32 2dmy n GLY 56 Ca -0.16 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.92 1.27 -0.28 2.61 2.01 0.30 -5.10 115.64 113.53 2dmy s THR 57 Ca 0.00 -1.38 -0.27 0.00 0.31 0.00 0.00 61.69 60.35 2dmy s THR 57 Cb 0.00 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2dmy s THR 57 CO 0.00 -0.41 0.95 -0.89 -0.69 0.00 0.00 174.62 173.58 2dmy s THR 58 N 1.46 4.69 0.26 -0.82 2.01 -1.26 -1.93 115.64 120.05 2dmy s THR 58 Ca 0.03 1.66 0.05 0.00 0.31 0.00 0.00 61.69 63.74 2dmy s THR 58 Cb -0.18 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2dmy s THR 58 CO -0.14 -0.26 0.38 -0.31 -0.69 0.00 0.00 174.62 173.60 2dmy s TYR 59 N 3.21 3.38 -0.15 4.92 1.51 0.45 -4.94 117.35 125.73 2dmy s TYR 59 Ca 0.40 -0.06 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 2dmy s TYR 59 Cb -0.14 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.11 2dmy s TYR 59 CO 0.10 0.34 0.32 -1.21 -1.11 0.00 0.00 175.55 174.00 2dmy s GLU 60 N -4.02 0.24 -0.17 -0.62 2.02 -1.26 -2.48 118.70 112.41 2dmy s GLU 60 Ca 0.36 0.77 -0.05 0.00 0.02 0.00 0.00 54.97 56.07 2dmy s GLU 60 Cb -0.09 0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.25 2dmy s GLU 60 CO 0.29 -0.23 0.32 0.00 0.02 0.00 0.00 175.26 175.66 2dmy s ALA 61 N 2.04 -0.77 0.12 5.21 0.00 -0.95 -4.89 121.76 122.52 2dmy s ALA 61 Ca -0.03 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2dmy s ALA 61 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2dmy s ALA 61 CO -0.10 -0.77 0.19 -1.54 0.00 0.00 0.00 175.76 173.54 2dmy s SER 62 N 2.48 6.01 0.04 0.00 1.04 -1.26 -2.57 113.70 119.45 2dmy s SER 62 Ca 0.02 0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.54 2dmy s SER 62 Cb -0.13 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2dmy s SER 62 CO -0.11 0.11 0.06 0.61 0.98 0.00 0.00 173.24 174.89 2dmy n GLY 63 N -0.10 3.06 0.04 7.32 0.00 -0.94 -4.87 105.19 109.70 2dmy n GLY 63 Ca -0.07 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.61 2dmy n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmy n PRO 64 N -0.07 0.06 -3.79 1.61 -0.04 -1.26 -1.99 135.00 129.51 2dmy n PRO 64 Ca 0.00 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2dmy n PRO 64 Cb 0.07 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 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 -3.38 -0.15 0.00 3.54 0.01 -1.26 -4.46 113.70 108.00 2dmy s SER 65 Ca 0.06 -0.51 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 2dmy s SER 65 Cb 0.09 0.54 -0.17 0.00 0.21 0.00 0.00 66.02 66.69 2dmy s SER 65 CO 0.30 -1.01 1.24 0.50 0.41 0.00 0.00 173.24 174.68 2dmy h LYS 66 N 2.00 -0.27 -0.98 12.44 3.64 -1.88 -0.30 116.57 131.22 2dmy h LYS 66 Ca -0.24 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.49 2dmy h LYS 66 Cb 1.23 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.94 2dmy h LYS 66 CO 0.27 0.08 0.32 1.57 -2.27 0.00 0.00 179.45 179.42 2dmy h LYS 67 N -0.66 0.06 0.02 1.90 2.10 -1.98 -0.64 116.57 117.37 2dmy h LYS 67 Ca -0.03 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dmy h LYS 67 Cb 0.47 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2dmy h LYS 67 CO 0.05 0.04 -0.01 1.15 -2.00 0.00 0.00 179.45 178.68 2dmy h THR 68 N 0.06 1.10 -0.54 0.07 2.02 -1.96 -3.29 112.91 110.36 2dmy h THR 68 Ca 0.71 -1.75 0.05 0.00 0.77 0.00 0.00 66.41 66.19 2dmy h THR 68 Cb 1.69 2.05 -0.06 0.00 -1.74 0.00 0.00 68.15 70.08 2dmy h THR 68 CO -0.80 0.36 -0.32 0.00 0.37 0.00 0.00 175.52 175.13 2dmy n ALA 69 N -2.66 -0.35 -0.26 6.16 0.00 -0.13 0.77 120.51 124.05 2dmy n ALA 69 Ca -0.06 0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.91 2dmy n ALA 69 Cb 0.30 0.07 0.21 0.00 0.00 0.00 0.00 19.45 20.02 2dmy n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dmy h LYS 70 N 0.00 0.23 -0.72 0.00 1.57 -1.51 0.27 116.57 116.41 2dmy h LYS 70 Ca 0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2dmy h LYS 70 Cb 0.22 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2dmy h LYS 70 CO -0.51 0.15 0.31 1.25 -0.57 0.00 0.00 179.45 180.09 2dmy h LEU 71 N 0.24 0.95 0.94 2.94 5.85 0.29 -2.75 115.31 123.77 2dmy h LEU 71 Ca 0.45 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 2dmy h LEU 71 Cb 0.82 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.62 2dmy h LEU 71 CO -0.57 0.83 -0.45 0.45 -0.34 0.00 0.00 178.44 178.36 2dmy h HIS 72 N 1.03 -1.17 -0.63 1.25 3.86 0.30 -2.61 115.15 117.18 2dmy h HIS 72 Ca 0.24 -0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.52 2dmy h HIS 72 Cb 0.16 0.39 -0.11 0.00 1.06 0.00 0.00 27.41 28.90 2dmy h HIS 72 CO 0.01 -0.73 -0.42 0.28 0.86 0.00 0.00 177.93 177.94 2dmy h VAL 73 N -1.34 0.09 -0.63 2.45 2.07 -1.21 0.09 116.25 117.77 2dmy h VAL 73 Ca -0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.52 2dmy h VAL 73 Cb 0.97 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 2dmy h VAL 73 CO 0.21 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.65 2dmy h ALA 74 N 0.76 0.43 -1.03 1.67 0.00 -1.48 0.25 119.26 119.85 2dmy h ALA 74 Ca 0.20 0.24 0.26 0.00 0.00 0.00 0.00 54.91 55.61 2dmy h ALA 74 Cb 0.56 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2dmy h ALA 74 CO -0.72 -0.42 0.65 0.28 0.00 0.00 0.00 179.25 179.03 2dmy h VAL 75 N 0.01 0.54 -0.35 0.00 2.07 -0.58 0.19 116.25 118.12 2dmy h VAL 75 Ca 0.30 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 2dmy h VAL 75 Cb 0.47 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2dmy h VAL 75 CO -0.64 0.08 -0.32 0.11 0.02 0.00 0.00 177.57 176.82 2dmy h LYS 76 N 0.45 0.83 0.88 1.57 1.57 -0.23 -2.45 116.57 119.19 2dmy h LYS 76 Ca 0.60 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2dmy h LYS 76 Cb 1.41 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.74 2dmy h LYS 76 CO -0.34 1.06 -0.42 0.28 -0.57 0.00 0.00 179.45 179.46 2dmy h VAL 77 N 0.62 0.12 -0.51 0.50 2.07 -0.13 -0.71 116.25 118.21 2dmy h VAL 77 Ca 0.06 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.65 2dmy h VAL 77 Cb 0.90 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2dmy h VAL 77 CO 0.08 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2dmy h LEU 78 N -1.20 -0.16 -0.46 2.57 3.38 -1.35 0.14 115.31 118.22 2dmy h LEU 78 Ca -0.12 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2dmy h LEU 78 Cb 0.91 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2dmy h LEU 78 CO 0.20 -0.05 0.20 1.56 0.09 0.00 0.00 178.44 180.44 2dmy h GLN 79 N 0.14 0.39 -0.39 1.13 4.20 -1.35 0.35 115.11 119.59 2dmy h GLN 79 Ca 0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2dmy h GLN 79 Cb 0.38 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2dmy h GLN 79 CO -0.40 0.26 0.15 0.00 -0.67 0.00 0.00 178.83 178.17 2dmy h ALA 80 N 1.28 0.50 0.00 3.87 0.00 -0.02 -2.38 119.26 122.51 2dmy h ALA 80 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2dmy h ALA 80 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dmy h ALA 80 CO -0.18 0.11 -0.14 0.52 0.00 0.00 0.00 179.25 179.56 2dmy h MET 81 N 0.48 0.00 -0.02 0.00 2.86 -0.31 -3.46 114.93 114.47 2dmy h MET 81 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2dmy h MET 81 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2dmy h MET 81 CO -0.01 0.14 0.00 0.41 1.06 0.00 0.00 176.91 178.51 2dmy n GLY 82 N -0.51 0.91 3.68 8.32 0.00 0.42 -5.08 105.19 112.93 2dmy n GLY 82 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.85 2.84 -0.27 1.61 1.51 0.95 -5.00 117.35 117.14 2dmy s TYR 83 Ca 0.00 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 2dmy s TYR 83 Cb 0.00 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2dmy s TYR 83 CO 0.00 0.54 1.65 -1.25 -1.11 0.00 0.00 175.55 175.38 2dmy s PRO 84 N -3.22 3.65 -0.01 -1.71 0.04 -1.26 -4.31 135.00 128.17 2dmy s PRO 84 Ca 0.29 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 2dmy s PRO 84 Cb -0.08 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2dmy s PRO 84 CO 0.20 -1.48 -0.09 0.25 0.04 0.00 0.00 177.00 175.92 2dmy n THR 85 N 6.76 0.96 0.00 1.26 -2.24 -1.26 -5.00 114.28 114.76 2dmy n THR 85 Ca 0.20 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2dmy n THR 85 Cb 0.46 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 2.82 1.15 3.16 3.38 0.00 -1.26 -4.96 105.19 109.48 2dmy n GLY 86 Ca -0.07 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 2dmy n GLY 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dmy n PHE 87 N 6.29 -2.14 -4.09 1.61 7.35 -1.26 -5.02 117.46 120.20 2dmy n PHE 87 Ca 0.00 0.83 -0.18 0.00 -0.76 0.00 0.00 57.45 57.33 2dmy n PHE 87 Cb 0.00 -4.54 -0.16 0.00 0.35 0.00 0.00 39.48 35.13 2dmy n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2dmy s ASP 88 N -3.75 0.72 -0.57 -2.13 1.01 -1.26 -5.04 116.67 105.65 2dmy s ASP 88 Ca 0.23 -0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.34 2dmy s ASP 88 Cb -0.10 -0.34 -0.12 0.00 1.01 0.00 0.00 42.92 43.37 2dmy s ASP 88 CO 0.62 -0.06 3.18 0.00 0.21 0.00 0.00 175.17 179.12 2dmy n ALA 89 N 3.95 6.69 -3.28 5.23 0.00 -1.26 -4.69 120.51 127.16 2dmy n ALA 89 Ca -0.25 -2.68 0.03 0.00 0.00 0.00 0.00 53.44 50.54 2dmy n ALA 89 Cb 0.51 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.40 2dmy n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dmy s ASP 90 N 1.50 -0.91 0.11 0.00 2.15 -1.26 -5.14 116.67 113.12 2dmy s ASP 90 Ca 0.65 0.79 -0.31 0.00 0.43 0.00 0.00 52.55 54.11 2dmy s ASP 90 Cb 0.29 1.85 -0.07 0.00 -0.30 0.00 0.00 42.92 44.69 2dmy s ASP 90 CO -0.07 -0.17 1.30 -0.63 -0.17 0.00 0.00 175.17 175.43 2dmy s ILE 91 N 2.80 3.56 0.35 4.11 1.01 -1.26 -5.00 121.20 126.77 2dmy s ILE 91 Ca 0.06 1.15 -0.06 0.00 0.00 0.00 0.00 60.65 61.79 2dmy s ILE 91 Cb -0.11 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2dmy s ILE 91 CO -0.17 0.10 0.57 -0.44 0.00 0.00 0.00 174.94 175.00 2dmy s SER 92 N 0.94 0.64 0.89 3.58 0.01 -1.26 -5.18 113.70 113.32 2dmy s SER 92 Ca 0.61 -1.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.41 2dmy s SER 92 Cb -0.34 0.72 0.16 0.00 0.21 0.00 0.00 66.02 66.77 2dmy s SER 92 CO 0.31 -1.41 0.98 0.61 0.41 0.00 0.00 173.24 174.14 2dmy n GLY 93 N -0.55 -0.73 0.00 3.44 0.00 -1.26 -4.94 105.19 101.14 2dmy n GLY 93 Ca -0.02 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.00 0.09 -1.53 1.61 -0.04 -1.26 -4.68 135.00 126.19 2dmy n PRO 94 Ca 0.13 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 2dmy n PRO 94 Cb 0.47 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2dmy n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmy n SER 95 N -1.41 0.90 -3.61 3.54 7.64 -1.26 -4.77 113.62 114.65 2dmy n SER 95 Ca 0.05 -1.35 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 2dmy n SER 95 Cb 0.15 -1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 61.91 2dmy n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmy s SER 96 N 7.88 -0.37 0.00 6.43 0.15 -1.26 -5.17 113.70 121.36 2dmy s SER 96 Ca 0.99 0.58 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2dmy s SER 96 Cb -0.29 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dmy s SER 96 CO 0.20 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.03