#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy n SER 2 N 0.00 -2.00 -3.86 1.61 7.64 -1.26 -4.93 113.62 110.82 2dmy n SER 2 Ca 0.00 -1.11 -0.12 0.00 1.01 0.00 0.00 58.87 58.65 2dmy n SER 2 Cb 0.00 -2.32 -0.12 0.00 -1.01 0.00 0.00 64.21 60.76 2dmy n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmy s SER 3 N -3.55 -0.03 0.00 6.43 0.01 -1.26 -5.11 113.70 110.20 2dmy s SER 3 Ca 0.59 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2dmy s SER 3 Cb -0.33 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2dmy s SER 3 CO 0.96 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 175.09 2dmy n GLY 4 N 2.55 -0.78 3.38 3.44 0.00 -1.26 -5.14 105.19 107.37 2dmy n GLY 4 Ca -0.16 0.76 -0.36 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 4.85 -0.11 1.61 0.01 -1.26 -5.09 113.70 113.71 2dmy s SER 5 Ca 0.00 -0.35 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 2dmy s SER 5 Cb 0.00 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2dmy s SER 5 CO 0.00 -0.06 0.45 -0.55 0.41 0.00 0.00 173.24 173.49 2dmy s SER 6 N 1.55 6.66 0.00 2.44 0.15 -1.26 -5.00 113.70 118.24 2dmy s SER 6 Ca 0.06 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dmy s SER 6 Cb -0.15 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dmy s SER 6 CO 0.01 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dmy n GLY 7 N 3.16 -1.14 3.55 9.45 0.00 -1.26 -5.04 105.19 113.90 2dmy n GLY 7 Ca -0.08 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 2dmy n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmy n ARG 8 N 0.00 -6.82 -5.09 1.61 5.12 -1.26 -5.00 116.66 105.22 2dmy n ARG 8 Ca 0.00 0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 56.42 2dmy n ARG 8 Cb 0.00 -5.77 -0.17 0.00 -1.16 0.00 0.00 32.46 25.36 2dmy n ARG 8 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2dmy s LYS 9 N -5.83 2.59 -0.18 5.56 -2.85 -1.26 -5.12 119.74 112.65 2dmy s LYS 9 Ca 0.24 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.42 2dmy s LYS 9 Cb -0.11 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2dmy s LYS 9 CO 0.75 0.20 -0.13 0.96 0.10 0.00 0.00 175.35 177.23 2dmy s ILE 10 N 0.26 2.68 -1.36 3.79 -4.36 -1.26 -4.75 121.20 116.19 2dmy s ILE 10 Ca -0.13 -0.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.41 2dmy s ILE 10 Cb -0.16 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.40 2dmy s ILE 10 CO 0.06 0.49 0.19 -0.11 0.24 0.00 0.00 174.94 175.82 2dmy n LEU 11 N 4.50 -0.65 -2.48 0.37 0.00 -1.26 -4.83 117.00 112.65 2dmy n LEU 11 Ca -0.19 -1.21 -0.33 0.00 0.00 0.00 0.00 56.01 54.27 2dmy n LEU 11 Cb 0.51 -1.49 0.04 0.00 0.00 0.00 0.00 43.42 42.48 2dmy n LEU 11 CO 0.28 0.55 1.03 -0.90 0.00 0.00 0.00 177.39 178.34 2dmy n ASP 12 N -2.46 6.63 -3.93 1.96 5.75 -1.26 -4.89 116.55 118.34 2dmy n ASP 12 Ca -0.25 -3.79 -0.31 0.00 -0.01 0.00 0.00 54.79 50.44 2dmy n ASP 12 Cb 0.62 -0.80 -0.15 0.00 -1.03 0.00 0.00 41.12 39.76 2dmy n ASP 12 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2dmy s SER 13 N -2.23 4.50 -0.02 -1.12 0.01 -1.26 -5.09 113.70 108.50 2dmy s SER 13 Ca 0.56 -2.13 -0.12 0.00 1.31 0.00 0.00 55.95 55.57 2dmy s SER 13 Cb 0.45 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 65.28 2dmy s SER 13 CO -0.16 -0.37 0.25 -1.59 0.41 0.00 0.00 173.24 171.78 2dmy s LYS 14 N 0.94 0.57 -0.30 12.44 0.00 -1.26 -5.15 119.74 126.98 2dmy s LYS 14 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 55.97 55.75 2dmy s LYS 14 Cb -0.19 0.25 0.18 0.00 0.00 0.00 0.00 37.83 38.06 2dmy s LYS 14 CO -0.11 -0.14 1.01 0.00 0.00 0.00 0.00 175.35 176.11 2dmy s ALA 15 N -1.19 -3.17 -0.35 0.59 0.00 -1.26 -5.01 121.76 111.37 2dmy s ALA 15 Ca -0.13 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 2dmy s ALA 15 Cb -0.06 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.76 2dmy s ALA 15 CO 0.03 -1.31 0.11 0.42 0.00 0.00 0.00 175.76 175.02 2dmy s ILE 16 N 2.78 3.54 -1.31 0.00 1.09 -1.26 -4.72 121.20 121.33 2dmy s ILE 16 Ca 0.00 -1.39 -0.14 0.00 -1.10 0.00 0.00 60.65 58.03 2dmy s ILE 16 Cb -0.09 -3.11 0.14 0.00 -1.06 0.00 0.00 42.46 38.34 2dmy s ILE 16 CO -0.14 -0.29 0.35 -0.90 -0.10 0.00 0.00 174.94 173.87 2dmy n ASP 17 N 4.74 -0.94 0.00 3.58 5.68 -1.26 -4.62 116.55 123.73 2dmy n ASP 17 Ca -0.11 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 2dmy n ASP 17 Cb 0.43 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 2dmy n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dmy n LEU 18 N -3.14 0.82 -0.18 -2.12 -0.00 -1.26 -4.64 117.00 106.48 2dmy n LEU 18 Ca 0.03 0.00 0.30 0.00 -0.00 0.00 0.00 56.01 56.33 2dmy n LEU 18 Cb 0.35 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.47 2dmy n LEU 18 CO 0.68 0.14 1.27 0.00 -0.00 0.00 0.00 177.39 179.47 2dmy h MET 19 N 0.00 0.00 -0.79 1.47 -0.00 -1.88 -1.51 114.93 112.23 2dmy h MET 19 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 59.84 2dmy h MET 19 Cb 0.50 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 31.96 2dmy h MET 19 CO 0.00 0.00 -0.31 -0.97 -0.00 0.00 0.00 176.91 175.63 2dmy h ASN 20 N 0.00 -1.13 -0.63 -0.10 -0.73 -1.96 -1.42 115.58 109.62 2dmy h ASN 20 Ca 0.44 0.26 0.06 0.00 1.87 0.00 0.00 56.30 58.93 2dmy h ASN 20 Cb 2.01 0.61 -0.08 0.00 0.27 0.00 0.00 38.32 41.14 2dmy h ASN 20 CO -0.00 -0.29 -0.37 0.00 -0.37 0.00 0.00 177.43 176.39 2dmy n ALA 21 N -3.31 -0.40 -0.23 1.57 0.00 -0.57 0.10 120.51 117.67 2dmy n ALA 21 Ca 0.08 0.54 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 2dmy n ALA 21 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.43 -0.71 0.00 3.38 -1.47 0.17 115.31 115.25 2dmy h LEU 22 Ca 0.10 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.39 2dmy h LEU 22 Cb 0.26 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2dmy h LEU 22 CO -0.59 -0.32 0.40 0.24 0.09 0.00 0.00 178.44 178.26 2dmy h MET 23 N -0.18 0.70 0.50 1.13 2.86 -0.33 -2.39 114.93 117.22 2dmy h MET 23 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2dmy h MET 23 Cb 0.56 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2dmy h MET 23 CO -0.72 0.46 -0.51 0.00 1.06 0.00 0.00 176.91 177.20 2dmy h ARG 24 N 0.72 -0.97 -0.85 1.72 2.47 0.21 0.28 114.38 117.96 2dmy h ARG 24 Ca 0.33 0.07 0.20 0.00 -1.26 0.00 0.00 59.98 59.32 2dmy h ARG 24 Cb 0.23 0.22 -0.12 0.00 -1.65 0.00 0.00 29.97 28.64 2dmy h ARG 24 CO -0.20 -0.65 0.30 1.25 0.56 0.00 0.00 179.97 181.23 2dmy h LEU 25 N -1.01 0.17 -0.55 3.04 5.85 -0.88 0.20 115.31 122.13 2dmy h LEU 25 Ca -0.06 0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2dmy h LEU 25 Cb 0.88 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2dmy h LEU 25 CO -0.07 -0.04 -0.11 0.78 -0.34 0.00 0.00 178.44 178.65 2dmy h ASN 26 N 0.32 1.05 0.51 1.25 2.35 -0.92 0.50 115.58 120.65 2dmy h ASN 26 Ca 0.51 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2dmy h ASN 26 Cb 0.96 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2dmy h ASN 26 CO -0.55 1.16 -0.33 1.56 -1.65 0.00 0.00 177.43 177.62 2dmy h GLN 27 N 0.93 -0.77 -0.09 0.81 1.08 0.26 -1.38 115.11 115.95 2dmy h GLN 27 Ca 0.14 0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.23 2dmy h GLN 27 Cb 0.69 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2dmy h GLN 27 CO 0.05 -0.51 -0.65 -0.84 -0.95 0.00 0.00 178.83 175.93 2dmy h ILE 28 N -0.80 1.38 -3.09 2.54 3.07 -1.20 -3.38 117.51 116.02 2dmy h ILE 28 Ca -0.06 -2.03 -0.62 0.00 1.55 0.00 0.00 64.86 63.70 2dmy h ILE 28 Cb 0.66 2.02 -0.40 0.00 -0.27 0.00 0.00 36.82 38.82 2dmy h ILE 28 CO 0.05 0.61 -0.69 -0.13 -1.05 0.00 0.00 178.15 176.94 2dmy s ARG 29 N -3.73 1.64 0.44 0.16 1.81 0.17 -5.10 118.95 114.35 2dmy s ARG 29 Ca -0.05 -2.39 -0.24 0.00 -1.72 0.00 0.00 55.73 51.33 2dmy s ARG 29 Cb 0.11 -2.75 -0.08 0.00 -0.45 0.00 0.00 34.95 31.79 2dmy s ARG 29 CO 0.82 -1.17 1.18 -1.25 -0.68 0.00 0.00 175.30 174.20 2dmy s PRO 30 N -0.11 3.87 -0.47 3.54 0.04 -0.53 -3.97 135.00 137.38 2dmy s PRO 30 Ca 0.19 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 2dmy s PRO 30 Cb -0.21 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dmy s PRO 30 CO -0.03 -0.47 0.47 0.41 0.04 0.00 0.00 177.00 177.42 2dmy n GLY 31 N 0.53 -0.98 3.83 0.56 0.00 -1.26 -5.05 105.19 102.82 2dmy n GLY 31 Ca 0.06 0.37 -0.27 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 -3.12 3.94 -0.21 0.99 1.43 -1.26 -5.11 118.68 115.34 2dmy s LEU 32 Ca 0.03 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2dmy s LEU 32 Cb -0.01 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.72 2dmy s LEU 32 CO 0.52 0.07 -0.05 0.00 0.23 0.00 0.00 176.35 177.12 2dmy s GLN 33 N -3.07 1.55 -0.26 1.70 -2.07 -1.26 -5.11 119.66 111.15 2dmy s GLN 33 Ca 0.32 -0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 52.96 2dmy s GLN 33 Cb -0.10 -2.35 -0.05 0.00 -1.09 0.00 0.00 33.01 29.41 2dmy s GLN 33 CO 0.25 -0.53 0.21 0.71 -1.32 0.00 0.00 175.29 174.61 2dmy s TYR 34 N 1.50 3.27 0.01 9.60 2.02 -1.26 -4.61 117.35 127.88 2dmy s TYR 34 Ca -0.03 0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.96 2dmy s TYR 34 Cb -0.17 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.00 2dmy s TYR 34 CO -0.07 -0.06 -0.18 0.21 -1.57 0.00 0.00 175.55 173.87 2dmy s LYS 35 N 1.47 2.18 -0.68 -0.62 2.47 -1.03 -4.94 119.74 118.58 2dmy s LYS 35 Ca 0.09 -0.91 -0.18 0.00 -1.56 0.00 0.00 55.97 53.41 2dmy s LYS 35 Cb -0.15 -2.21 0.13 0.00 -1.46 0.00 0.00 37.83 34.14 2dmy s LYS 35 CO 0.08 0.56 0.78 -1.17 0.16 0.00 0.00 175.35 175.77 2dmy s LEU 36 N -1.14 5.55 0.20 5.43 2.96 -1.26 -1.13 118.68 129.29 2dmy s LEU 36 Ca 0.13 -1.73 -0.22 0.00 -0.22 0.00 0.00 54.13 52.10 2dmy s LEU 36 Cb -0.10 -2.30 0.14 0.00 0.50 0.00 0.00 46.19 44.42 2dmy s LEU 36 CO 0.03 -1.02 1.56 -0.07 -1.32 0.00 0.00 176.35 175.53 2dmy h LEU 37 N 9.71 -1.50 -7.00 -0.68 3.38 -1.07 -3.45 115.31 114.70 2dmy h LEU 37 Ca -0.16 0.29 0.21 0.00 0.09 0.00 0.00 57.88 58.31 2dmy h LEU 37 Cb 1.07 0.74 -0.22 0.00 0.09 0.00 0.00 40.66 42.33 2dmy h LEU 37 CO 1.05 -0.29 0.80 -0.55 0.09 0.00 0.00 178.44 179.54 2dmy s SER 38 N -5.30 -0.15 -0.07 -0.43 0.15 -1.25 -5.06 113.70 101.58 2dmy s SER 38 Ca -0.14 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.62 2dmy s SER 38 Cb 0.17 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 2dmy s SER 38 CO 0.69 -0.19 -0.10 -1.58 1.20 0.00 0.00 173.24 173.25 2dmy s GLN 39 N -1.72 2.76 0.04 5.44 -0.44 -1.26 -2.88 119.66 121.61 2dmy s GLN 39 Ca 0.07 -0.62 0.03 0.00 -2.50 0.00 0.00 55.36 52.34 2dmy s GLN 39 Cb -0.01 -2.53 -0.02 0.00 -1.64 0.00 0.00 33.01 28.81 2dmy s GLN 39 CO -0.05 0.58 -0.09 -1.54 0.50 0.00 0.00 175.29 174.69 2dmy s SER 40 N -0.59 1.06 0.00 6.67 1.04 -1.09 -4.91 113.70 115.88 2dmy s SER 40 Ca 0.09 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2dmy s SER 40 Cb -0.11 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dmy s SER 40 CO 0.02 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dmy n GLY 41 N 1.61 -1.30 0.06 7.32 0.00 -1.26 0.76 105.19 112.37 2dmy n GLY 41 Ca -0.21 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.06 -1.06 0.03 1.61 -0.04 -1.26 -4.78 135.00 129.45 2dmy n PRO 42 Ca 0.00 -0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 2dmy n PRO 42 Cb 0.00 -0.03 -0.08 0.00 -0.04 0.00 0.00 33.50 33.35 2dmy n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dmy n VAL 43 N -2.55 1.01 -0.02 0.52 3.14 -1.26 -2.65 118.33 116.51 2dmy n VAL 43 Ca 0.00 -0.67 -0.08 0.00 -2.96 0.00 0.00 64.34 60.63 2dmy n VAL 43 Cb 0.01 -0.59 -0.14 0.00 -1.06 0.00 0.00 33.84 32.06 2dmy n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dmy n HIS 44 N -2.79 0.99 -2.48 1.45 1.44 -1.26 -4.36 115.22 108.21 2dmy n HIS 44 Ca -0.10 0.36 -0.20 0.00 -2.01 0.00 0.00 57.72 55.77 2dmy n HIS 44 Cb 0.80 -1.18 0.01 0.00 0.12 0.00 0.00 29.99 29.74 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 -2.55 4.44 -1.56 1.59 0.00 -1.26 -5.08 120.51 116.09 2dmy n ALA 45 Ca -0.17 -3.81 -0.33 0.00 0.00 0.00 0.00 53.44 49.13 2dmy n ALA 45 Cb 1.05 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.47 2.90 -0.55 0.00 0.04 -1.09 -4.13 135.00 128.71 2dmy s PRO 46 Ca 0.41 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 2dmy s PRO 46 Cb 0.41 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 33.13 2dmy s PRO 46 CO -0.08 -1.18 0.42 0.08 0.04 0.00 0.00 177.00 176.28 2dmy s VAL 47 N -2.24 4.36 -0.65 -0.36 1.01 0.23 -4.40 120.40 118.35 2dmy s VAL 47 Ca 0.68 -2.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.34 2dmy s VAL 47 Cb -0.21 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.37 2dmy s VAL 47 CO 0.39 -0.83 1.16 -0.36 0.00 0.00 0.00 175.10 175.46 2dmy s PHE 48 N 0.98 2.51 -0.42 5.22 0.40 -0.62 -2.65 117.98 123.40 2dmy s PHE 48 Ca 0.09 0.02 -0.22 0.00 -0.60 0.00 0.00 56.93 56.23 2dmy s PHE 48 Cb -0.23 -4.47 0.02 0.00 0.51 0.00 0.00 43.02 38.85 2dmy s PHE 48 CO -0.02 -1.77 0.72 0.99 0.70 0.00 0.00 175.22 175.84 2dmy s THR 49 N 5.01 4.76 0.47 0.64 2.01 -1.14 -1.95 115.64 125.43 2dmy s THR 49 Ca 0.35 0.41 0.07 0.00 0.31 0.00 0.00 61.69 62.84 2dmy s THR 49 Cb -0.10 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.21 2dmy s THR 49 CO 0.18 -0.58 0.65 -0.04 -0.69 0.00 0.00 174.62 174.14 2dmy s MET 50 N 3.02 2.67 -0.28 4.92 -1.94 -1.10 -0.48 119.30 126.11 2dmy s MET 50 Ca 0.27 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 52.82 2dmy s MET 50 Cb -0.13 -2.70 0.11 0.00 2.01 0.00 0.00 34.83 34.12 2dmy s MET 50 CO 0.19 -0.46 0.86 -1.54 -0.01 0.00 0.00 175.02 174.06 2dmy s SER 51 N -4.43 -0.68 0.02 3.03 1.04 -0.28 -2.97 113.70 109.43 2dmy s SER 51 Ca 0.57 1.13 0.02 0.00 0.48 0.00 0.00 55.95 58.14 2dmy s SER 51 Cb -0.09 1.26 -0.01 0.00 0.10 0.00 0.00 66.02 67.27 2dmy s SER 51 CO 0.35 -0.18 -0.06 0.54 0.98 0.00 0.00 173.24 174.87 2dmy s VAL 52 N 1.25 0.45 -0.28 5.02 0.11 -1.04 -2.47 120.40 123.45 2dmy s VAL 52 Ca -0.07 -0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 2dmy s VAL 52 Cb -0.04 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2dmy s VAL 52 CO -0.15 -0.10 0.15 1.51 -3.33 0.00 0.00 175.10 173.19 2dmy s ASP 53 N -0.74 5.70 -0.05 3.54 -4.77 -1.26 -0.54 116.67 118.56 2dmy s ASP 53 Ca -0.03 -0.17 0.01 0.00 -3.30 0.00 0.00 52.55 49.06 2dmy s ASP 53 Cb -0.05 -2.05 0.02 0.00 -1.09 0.00 0.00 42.92 39.75 2dmy s ASP 53 CO 0.00 -0.08 -0.06 -0.69 0.70 0.00 0.00 175.17 175.04 2dmy s VAL 54 N 1.69 0.64 -1.49 2.11 1.01 -0.26 -4.84 120.40 119.26 2dmy s VAL 54 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2dmy s VAL 54 Cb -0.16 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2dmy s VAL 54 CO 0.08 0.24 0.42 -0.67 0.00 0.00 0.00 175.10 175.17 2dmy n ASP 55 N 3.93 -0.69 -2.26 3.32 2.03 -1.26 0.43 116.55 122.06 2dmy n ASP 55 Ca -0.25 -1.06 -0.19 0.00 0.52 0.00 0.00 54.79 53.81 2dmy n ASP 55 Cb 0.51 -2.73 -0.00 0.00 -0.72 0.00 0.00 41.12 38.18 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 -1.96 -0.42 2.76 0.27 0.00 -1.26 -4.98 105.19 99.60 2dmy n GLY 56 Ca -0.23 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.98 0.68 -0.45 2.61 2.01 0.17 -5.10 115.64 112.58 2dmy s THR 57 Ca 0.04 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 2dmy s THR 57 Cb -0.02 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.33 2dmy s THR 57 CO 0.05 -0.23 1.02 -0.89 -0.69 0.00 0.00 174.62 173.88 2dmy s THR 58 N 1.78 4.38 0.29 -0.82 2.01 -1.26 -1.11 115.64 120.91 2dmy s THR 58 Ca -0.01 1.07 -0.02 0.00 0.31 0.00 0.00 61.69 63.04 2dmy s THR 58 Cb -0.17 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 2dmy s THR 58 CO -0.09 -0.85 0.51 -0.31 -0.69 0.00 0.00 174.62 173.19 2dmy s TYR 59 N 4.01 3.49 -0.06 4.92 1.51 0.30 -4.94 117.35 126.57 2dmy s TYR 59 Ca 0.42 0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2dmy s TYR 59 Cb -0.09 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2dmy s TYR 59 CO 0.27 0.20 0.12 -1.21 -1.11 0.00 0.00 175.55 173.82 2dmy s GLU 60 N -3.82 0.02 -0.18 -0.62 2.02 -1.26 -2.48 118.70 112.37 2dmy s GLU 60 Ca 0.41 0.44 -0.05 0.00 0.02 0.00 0.00 54.97 55.79 2dmy s GLU 60 Cb -0.10 -0.30 0.09 0.00 0.10 0.00 0.00 34.13 33.92 2dmy s GLU 60 CO 0.32 -0.26 0.33 0.00 0.02 0.00 0.00 175.26 175.67 2dmy s ALA 61 N 1.87 -0.80 0.27 5.21 0.00 -1.16 -4.90 121.76 122.25 2dmy s ALA 61 Ca -0.01 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.02 2dmy s ALA 61 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2dmy s ALA 61 CO -0.05 -0.86 0.40 0.45 0.00 0.00 0.00 175.76 175.70 2dmy s SER 62 N 2.49 6.23 0.25 0.00 0.15 -1.26 -2.72 113.70 118.84 2dmy s SER 62 Ca 0.03 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.65 2dmy s SER 62 Cb -0.13 -1.72 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 2dmy s SER 62 CO -0.12 -0.18 0.45 0.61 1.20 0.00 0.00 173.24 175.21 2dmy n GLY 63 N -1.50 1.70 0.23 9.45 0.00 -0.82 -4.76 105.19 109.48 2dmy n GLY 63 Ca -0.06 -1.29 0.16 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 -3.69 1.61 0.13 -1.89 -1.64 132.00 126.52 2dmy h PRO 64 Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.85 2dmy h PRO 64 Cb 0.80 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.81 2dmy h PRO 64 CO 0.27 0.00 -0.23 -1.12 -0.23 0.00 0.00 178.00 176.69 2dmy s SER 65 N -5.19 -0.04 0.14 1.44 0.01 -1.26 -4.44 113.70 104.36 2dmy s SER 65 Ca 0.02 -0.69 -0.19 0.00 1.31 0.00 0.00 55.95 56.41 2dmy s SER 65 Cb 0.09 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.78 2dmy s SER 65 CO 0.49 -0.89 1.70 0.50 0.41 0.00 0.00 173.24 175.45 2dmy h LYS 66 N 2.49 0.04 0.35 12.44 3.64 -1.88 -1.45 116.57 132.20 2dmy h LYS 66 Ca -0.32 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2dmy h LYS 66 Cb 1.23 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2dmy h LYS 66 CO 0.47 0.02 -0.48 -0.22 -2.27 0.00 0.00 179.45 176.98 2dmy h LYS 67 N 0.04 -0.83 -0.89 1.90 3.64 -1.97 -1.00 116.57 117.46 2dmy h LYS 67 Ca 0.12 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.78 2dmy h LYS 67 Cb 0.18 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.06 2dmy h LYS 67 CO -0.24 -0.55 0.39 1.79 -2.27 0.00 0.00 179.45 178.57 2dmy h THR 68 N -0.86 0.47 -0.11 1.00 1.35 -1.93 0.24 112.91 113.08 2dmy h THR 68 Ca -0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2dmy h THR 68 Cb 0.78 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 2dmy h THR 68 CO -0.13 0.07 0.06 0.00 -0.25 0.00 0.00 175.52 175.28 2dmy h ALA 69 N 1.71 0.13 -0.63 6.62 0.00 -0.64 0.25 119.26 126.70 2dmy h ALA 69 Ca 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.48 2dmy h ALA 69 Cb 1.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2dmy h ALA 69 CO -0.53 -0.39 0.42 0.87 0.00 0.00 0.00 179.25 179.62 2dmy h LYS 70 N 0.13 0.82 -0.10 0.00 1.57 0.31 -1.94 116.57 117.36 2dmy h LYS 70 Ca 0.04 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2dmy h LYS 70 Cb -0.01 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.13 2dmy h LYS 70 CO -0.02 0.54 -0.56 1.25 -0.57 0.00 0.00 179.45 180.09 2dmy h LEU 71 N 0.84 0.66 0.57 2.94 5.85 -0.69 -3.25 115.31 122.24 2dmy h LEU 71 Ca 0.23 -0.65 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2dmy h LEU 71 Cb -0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2dmy h LEU 71 CO -0.05 1.21 -0.50 0.45 -0.34 0.00 0.00 178.44 179.21 2dmy h HIS 72 N 0.17 -1.37 -0.97 1.25 3.86 -0.08 -2.77 115.15 115.23 2dmy h HIS 72 Ca -0.04 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 2dmy h HIS 72 Cb 1.21 0.52 -0.14 0.00 1.06 0.00 0.00 27.41 30.06 2dmy h HIS 72 CO 0.11 -0.68 -0.49 0.28 0.86 0.00 0.00 177.93 178.01 2dmy h VAL 73 N -1.05 0.00 -0.57 2.45 2.07 -1.48 0.93 116.25 118.60 2dmy h VAL 73 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2dmy h VAL 73 Cb 0.89 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 2dmy h VAL 73 CO -0.03 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.21 2dmy h ALA 74 N 0.90 -0.12 -0.84 1.67 0.00 -1.55 -0.09 119.26 119.23 2dmy h ALA 74 Ca 0.25 0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.49 2dmy h ALA 74 Cb 0.50 0.82 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2dmy h ALA 74 CO -0.95 -0.71 -0.11 0.28 0.00 0.00 0.00 179.25 177.76 2dmy h VAL 75 N -0.19 0.19 -0.13 0.00 2.07 -0.54 0.12 116.25 117.77 2dmy h VAL 75 Ca 0.22 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.76 2dmy h VAL 75 Cb 0.55 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2dmy h VAL 75 CO -0.67 0.01 -0.10 0.11 0.02 0.00 0.00 177.57 176.94 2dmy h LYS 76 N 0.03 -0.10 -0.21 1.57 1.57 -0.73 -1.28 116.57 117.43 2dmy h LYS 76 Ca 0.44 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.28 2dmy h LYS 76 Cb 0.74 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2dmy h LYS 76 CO -0.82 -0.07 -0.32 0.28 -0.57 0.00 0.00 179.45 177.96 2dmy h VAL 77 N -0.10 0.27 -0.59 0.50 2.07 -0.39 0.36 116.25 118.37 2dmy h VAL 77 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2dmy h VAL 77 Cb 0.22 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2dmy h VAL 77 CO -0.19 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.57 2dmy h LEU 78 N -0.35 0.27 -1.12 2.57 3.38 -1.07 -1.11 115.31 117.88 2dmy h LEU 78 Ca 0.12 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dmy h LEU 78 Cb 0.54 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2dmy h LEU 78 CO -0.40 0.17 0.59 1.56 0.09 0.00 0.00 178.44 180.45 2dmy h GLN 79 N 0.44 1.13 -0.01 1.13 4.20 -0.25 0.19 115.11 121.95 2dmy h GLN 79 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2dmy h GLN 79 Cb 0.31 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2dmy h GLN 79 CO -0.27 0.75 -0.01 0.00 -0.67 0.00 0.00 178.83 178.63 2dmy h ALA 80 N 1.46 -0.00 0.00 3.87 0.00 0.31 -2.48 119.26 122.41 2dmy h ALA 80 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2dmy h ALA 80 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dmy h ALA 80 CO -0.09 -0.51 -0.40 0.52 0.00 0.00 0.00 179.25 178.77 2dmy h MET 81 N -0.02 0.00 0.00 0.00 2.86 -1.07 -3.47 114.93 113.24 2dmy h MET 81 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dmy h MET 81 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2dmy h MET 81 CO -0.02 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.76 2dmy n GLY 82 N -0.35 1.45 3.95 8.32 0.00 -0.05 -5.12 105.19 113.40 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 3.47 -0.15 1.61 2.02 0.47 -4.99 117.35 117.78 2dmy s TYR 83 Ca 0.00 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.49 2dmy s TYR 83 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 2dmy s TYR 83 CO 0.00 0.50 1.56 -1.25 -1.57 0.00 0.00 175.55 174.79 2dmy s PRO 84 N -3.40 4.01 0.19 -1.71 0.04 -1.26 -4.30 135.00 128.57 2dmy s PRO 84 Ca 0.34 1.85 0.10 0.00 0.04 0.00 0.00 61.00 63.33 2dmy s PRO 84 Cb -0.11 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2dmy s PRO 84 CO 0.29 -1.03 -0.15 0.95 0.04 0.00 0.00 177.00 177.10 2dmy s THR 85 N 4.47 2.87 0.39 1.26 -4.23 -1.26 -5.03 115.64 114.11 2dmy s THR 85 Ca 0.69 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2dmy s THR 85 Cb -0.27 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2dmy s THR 85 CO 0.27 -0.13 0.20 0.61 -0.54 0.00 0.00 174.62 175.03 2dmy n GLY 86 N 0.08 3.11 3.26 3.99 0.00 -1.26 -4.78 105.19 109.58 2dmy n GLY 86 Ca -0.11 -2.28 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.27 -2.21 -0.85 1.61 7.35 -1.26 -4.98 117.46 115.85 2dmy n PHE 87 Ca -0.06 0.87 -0.28 0.00 -0.76 0.00 0.00 57.45 57.22 2dmy n PHE 87 Cb 0.46 -4.72 0.22 0.00 0.35 0.00 0.00 39.48 35.79 2dmy n PHE 87 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 2dmy s ASP 88 N -3.87 1.59 -0.27 -2.13 -4.77 -1.26 -4.98 116.67 100.97 2dmy s ASP 88 Ca 0.20 1.29 0.08 0.00 -3.30 0.00 0.00 52.55 50.82 2dmy s ASP 88 Cb -0.09 -2.01 0.45 0.00 -1.09 0.00 0.00 42.92 40.19 2dmy s ASP 88 CO 0.66 -3.79 1.20 0.00 0.70 0.00 0.00 175.17 173.93 2dmy n ALA 89 N -4.62 4.73 -2.12 2.11 0.00 -1.26 -4.76 120.51 114.58 2dmy n ALA 89 Ca 0.04 -3.68 -0.28 0.00 0.00 0.00 0.00 53.44 49.52 2dmy n ALA 89 Cb 0.56 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.70 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dmy n ASP 90 N -0.79 5.42 0.17 0.00 9.92 -1.26 -4.79 116.55 125.21 2dmy n ASP 90 Ca 0.39 -3.75 0.18 0.00 -0.53 0.00 0.00 54.79 51.08 2dmy n ASP 90 Cb 0.91 -0.53 0.73 0.00 -0.64 0.00 0.00 41.12 41.59 2dmy n ASP 90 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2dmy h ILE 91 N 2.19 0.22 -2.92 0.53 -0.00 -2.01 -3.42 117.51 112.10 2dmy h ILE 91 Ca 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 65.27 2dmy h ILE 91 Cb 1.05 0.61 -0.10 0.00 -0.00 0.00 0.00 36.82 38.38 2dmy h ILE 91 CO 0.96 0.00 0.25 -0.44 -0.00 0.00 0.00 178.15 178.91 2dmy s SER 92 N -4.85 -0.45 0.00 2.16 0.01 -1.26 -5.10 113.70 104.21 2dmy s SER 92 Ca -0.04 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2dmy s SER 92 Cb 0.13 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2dmy s SER 92 CO 0.43 -1.05 0.86 0.61 0.41 0.00 0.00 173.24 174.50 2dmy n GLY 93 N -0.40 -2.61 3.56 3.44 0.00 -1.26 -4.42 105.19 103.50 2dmy n GLY 93 Ca -0.12 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.43 2.73 -0.02 1.61 0.04 -1.26 -4.94 135.00 130.72 2dmy s PRO 94 Ca 0.00 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 2dmy s PRO 94 Cb 0.00 -4.36 0.02 0.00 0.04 0.00 0.00 34.50 30.21 2dmy s PRO 94 CO 0.00 -2.60 0.30 -1.54 0.04 0.00 0.00 177.00 173.19 2dmy s SER 95 N 7.74 -0.19 -0.33 6.66 1.04 -1.26 -5.13 113.70 122.23 2dmy s SER 95 Ca 0.68 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 2dmy s SER 95 Cb -0.14 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.39 2dmy s SER 95 CO 0.22 -0.41 0.05 -0.94 0.98 0.00 0.00 173.24 173.14 2dmy s SER 96 N -1.18 4.96 0.00 7.02 1.04 -1.26 -5.17 113.70 119.12 2dmy s SER 96 Ca -0.12 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.82 2dmy s SER 96 Cb -0.05 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2dmy s SER 96 CO 0.04 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.54