#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy s SER 2 N 0.00 6.04 -1.60 1.61 0.01 -1.26 -4.42 113.70 114.08 2dmy s SER 2 Ca 0.00 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 2dmy s SER 2 Cb 0.00 -1.95 0.11 0.00 0.21 0.00 0.00 66.02 64.39 2dmy s SER 2 CO 0.00 0.33 0.84 -1.20 0.41 0.00 0.00 173.24 173.62 2dmy n SER 3 N 2.50 -3.63 -3.22 2.44 7.64 -1.26 -4.91 113.62 113.19 2dmy n SER 3 Ca -0.19 -0.91 -0.21 0.00 1.01 0.00 0.00 58.87 58.57 2dmy n SER 3 Cb 0.54 -3.28 -0.07 0.00 -1.01 0.00 0.00 64.21 60.39 2dmy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmy n GLY 4 N -1.57 1.50 2.18 0.23 0.00 -1.26 -4.97 105.19 101.30 2dmy n GLY 4 Ca 0.02 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 2dmy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmy n SER 5 N 2.74 5.36 -4.17 1.61 2.88 -1.26 -4.88 113.62 115.89 2dmy n SER 5 Ca 0.26 -3.75 -0.19 0.00 -1.33 0.00 0.00 58.87 53.86 2dmy n SER 5 Cb 0.51 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.37 2dmy n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmy s SER 6 N -3.26 1.75 0.00 -3.46 1.04 -1.26 -4.82 113.70 103.68 2dmy s SER 6 Ca 0.52 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dmy s SER 6 Cb 0.42 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dmy s SER 6 CO -0.03 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dmy n GLY 7 N 1.41 -0.08 3.70 7.32 0.00 -1.26 -5.11 105.19 111.16 2dmy n GLY 7 Ca -0.20 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2dmy n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmy s ARG 8 N -1.40 4.34 0.07 1.61 0.52 -1.26 -5.02 118.95 117.81 2dmy s ARG 8 Ca 0.00 1.86 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 2dmy s ARG 8 Cb 0.00 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 2dmy s ARG 8 CO 0.00 -0.44 -0.06 -1.59 0.02 0.00 0.00 175.30 173.23 2dmy s LYS 9 N 1.79 0.67 -0.52 3.54 0.00 -1.26 -5.08 119.74 118.89 2dmy s LYS 9 Ca 0.61 -1.07 0.05 0.00 0.00 0.00 0.00 55.97 55.55 2dmy s LYS 9 Cb -0.30 -0.17 0.39 0.00 0.00 0.00 0.00 37.83 37.75 2dmy s LYS 9 CO 0.27 -0.01 1.12 -0.89 0.00 0.00 0.00 175.35 175.85 2dmy n ILE 10 N 0.62 2.75 0.01 3.79 5.41 -1.26 -4.76 119.36 125.92 2dmy n ILE 10 Ca -0.17 -5.14 -0.02 0.00 1.00 0.00 0.00 62.75 58.42 2dmy n ILE 10 Cb 0.58 -1.32 -0.01 0.00 -0.71 0.00 0.00 39.64 38.19 2dmy n ILE 10 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2dmy n LEU 11 N -0.40 1.32 -0.13 1.39 4.77 -1.24 -4.42 117.00 118.29 2dmy n LEU 11 Ca 0.37 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 2dmy n LEU 11 Cb 0.55 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2dmy n LEU 11 CO 0.35 -0.62 0.72 -0.78 -1.33 0.00 0.00 177.39 175.72 2dmy h ASP 12 N -0.26 -0.70 0.28 -1.43 1.82 -1.88 -2.35 116.42 111.89 2dmy h ASP 12 Ca -0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2dmy h ASP 12 Cb 0.28 0.38 -0.03 0.00 0.68 0.00 0.00 39.33 40.64 2dmy h ASP 12 CO -0.00 -0.23 -0.34 0.28 -1.61 0.00 0.00 179.24 177.34 2dmy h SER 13 N -0.12 -0.92 -5.30 2.28 0.02 -1.88 -3.46 113.55 104.16 2dmy h SER 13 Ca 0.20 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 2dmy h SER 13 Cb 0.44 0.32 -0.12 0.00 0.14 0.00 0.00 62.40 63.18 2dmy h SER 13 CO -0.50 -0.46 -0.32 -1.59 -1.14 0.00 0.00 176.83 172.82 2dmy s LYS 14 N -6.01 1.24 -0.86 3.45 -2.85 -0.89 -4.95 119.74 108.87 2dmy s LYS 14 Ca -0.16 -1.25 -0.01 0.00 -1.00 0.00 0.00 55.97 53.54 2dmy s LYS 14 Cb 0.06 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2dmy s LYS 14 CO 0.64 -0.46 0.73 0.00 0.10 0.00 0.00 175.35 176.35 2dmy n ALA 15 N -0.25 -1.61 -1.00 0.59 0.00 -1.26 -3.61 120.51 113.37 2dmy n ALA 15 Ca -0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 2dmy n ALA 15 Cb 0.63 -2.53 0.13 0.00 0.00 0.00 0.00 19.45 17.68 2dmy n ALA 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dmy n ILE 16 N -3.19 3.04 -2.01 0.00 5.41 -1.25 -4.22 119.36 117.14 2dmy n ILE 16 Ca -0.18 -1.91 0.02 0.00 1.00 0.00 0.00 62.75 61.68 2dmy n ILE 16 Cb 0.62 -0.73 0.12 0.00 -0.71 0.00 0.00 39.64 38.93 2dmy n ILE 16 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2dmy n ASP 17 N -0.82 1.85 -0.07 4.38 2.03 -1.26 -4.79 116.55 117.88 2dmy n ASP 17 Ca 0.52 -3.17 -0.14 0.00 0.52 0.00 0.00 54.79 52.52 2dmy n ASP 17 Cb 1.27 -0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 41.18 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dmy n LEU 18 N -0.53 0.96 0.08 -2.67 4.77 -1.26 -4.54 117.00 113.80 2dmy n LEU 18 Ca 0.17 0.17 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 2dmy n LEU 18 Cb 0.87 -0.40 0.42 0.00 -2.33 0.00 0.00 43.42 41.98 2dmy n LEU 18 CO 0.02 0.25 1.15 0.00 -1.33 0.00 0.00 177.39 177.48 2dmy h MET 19 N -0.48 0.00 -0.61 3.23 -0.00 -1.88 -0.69 114.93 114.50 2dmy h MET 19 Ca -0.33 0.00 0.11 0.00 -0.00 0.00 0.00 59.70 59.48 2dmy h MET 19 Cb 1.27 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.75 2dmy h MET 19 CO -0.20 0.00 -0.26 -2.95 -0.00 0.00 0.00 176.91 173.49 2dmy h ASN 20 N 0.00 -0.93 -0.70 -0.10 -1.07 -1.91 -0.50 115.58 110.37 2dmy h ASN 20 Ca 0.22 0.21 0.17 0.00 0.07 0.00 0.00 56.30 56.97 2dmy h ASN 20 Cb 1.99 0.50 -0.13 0.00 -2.07 0.00 0.00 38.32 38.61 2dmy h ASN 20 CO -0.00 -0.27 -0.07 0.00 0.07 0.00 0.00 177.43 177.15 2dmy n ALA 21 N -3.13 0.27 0.16 4.14 0.00 -0.27 -0.30 120.51 121.38 2dmy n ALA 21 Ca 0.06 0.76 -0.09 0.00 0.00 0.00 0.00 53.44 54.16 2dmy n ALA 21 Cb 0.35 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.69 -1.01 0.00 3.38 -1.30 -1.62 115.31 114.07 2dmy h LEU 22 Ca 0.38 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.64 2dmy h LEU 22 Cb 0.70 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 2dmy h LEU 22 CO -0.69 -0.34 0.60 0.24 0.09 0.00 0.00 178.44 178.34 2dmy h MET 23 N -0.52 0.59 0.32 1.13 2.86 -0.70 -1.25 114.93 117.35 2dmy h MET 23 Ca -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2dmy h MET 23 Cb 0.45 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2dmy h MET 23 CO -0.02 0.39 -0.36 0.00 1.06 0.00 0.00 176.91 177.98 2dmy h ARG 24 N 0.60 -0.69 -0.94 1.72 2.47 -0.53 0.18 114.38 117.20 2dmy h ARG 24 Ca 0.64 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.59 2dmy h ARG 24 Cb 1.19 0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 29.58 2dmy h ARG 24 CO -0.46 -0.46 0.60 1.25 0.56 0.00 0.00 179.97 181.46 2dmy h LEU 25 N -0.72 0.57 -0.14 3.04 5.85 -0.27 -0.97 115.31 122.67 2dmy h LEU 25 Ca -0.02 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2dmy h LEU 25 Cb 0.66 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2dmy h LEU 25 CO -0.09 0.23 -0.21 0.78 -0.34 0.00 0.00 178.44 178.81 2dmy h ASN 26 N 0.57 0.42 -0.70 1.25 2.35 -0.89 0.46 115.58 119.04 2dmy h ASN 26 Ca 0.50 -0.53 0.14 0.00 -0.55 0.00 0.00 56.30 55.86 2dmy h ASN 26 Cb 1.02 -0.12 -0.13 0.00 0.05 0.00 0.00 38.32 39.13 2dmy h ASN 26 CO -0.24 0.87 -0.22 1.56 -1.65 0.00 0.00 177.43 177.75 2dmy h GLN 27 N -0.01 -0.03 0.16 0.81 4.20 0.73 -1.07 115.11 119.89 2dmy h GLN 27 Ca 0.01 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.44 2dmy h GLN 27 Cb 0.78 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.60 2dmy h GLN 27 CO 0.05 -0.02 -1.21 -0.84 -0.67 0.00 0.00 178.83 176.14 2dmy h ILE 28 N -0.03 1.33 -3.41 2.54 3.07 -1.54 -3.41 117.51 116.06 2dmy h ILE 28 Ca 0.32 -2.51 -0.64 0.00 1.55 0.00 0.00 64.86 63.58 2dmy h ILE 28 Cb 0.53 2.87 -0.41 0.00 -0.27 0.00 0.00 36.82 39.55 2dmy h ILE 28 CO -0.74 0.75 -0.67 -0.13 -1.05 0.00 0.00 178.15 176.31 2dmy s ARG 29 N -2.80 1.72 0.59 0.16 3.00 0.15 -5.11 118.95 116.66 2dmy s ARG 29 Ca -0.10 -2.30 -0.17 0.00 0.00 0.00 0.00 55.73 53.16 2dmy s ARG 29 Cb 0.04 -3.12 -0.03 0.00 0.00 0.00 0.00 34.95 31.84 2dmy s ARG 29 CO 0.92 -1.07 1.12 -1.25 0.00 0.00 0.00 175.30 175.02 2dmy s PRO 30 N 0.17 3.12 -0.70 3.54 0.04 -0.51 -3.96 135.00 136.70 2dmy s PRO 30 Ca 0.15 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 2dmy s PRO 30 Cb -0.24 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2dmy s PRO 30 CO -0.03 -1.02 0.66 0.41 0.04 0.00 0.00 177.00 177.06 2dmy n GLY 31 N -0.15 -1.18 3.89 0.56 0.00 -1.26 -5.01 105.19 102.03 2dmy n GLY 31 Ca 0.11 0.66 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.94 4.00 -0.06 0.99 1.43 -1.26 -5.12 118.68 114.72 2dmy s LEU 32 Ca 0.06 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2dmy s LEU 32 Cb -0.01 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.66 2dmy s LEU 32 CO 0.80 -0.09 -0.12 0.00 0.23 0.00 0.00 176.35 177.17 2dmy s GLN 33 N -3.92 1.59 -0.09 1.70 -2.07 -1.26 -5.13 119.66 110.47 2dmy s GLN 33 Ca 0.34 -0.40 0.02 0.00 -1.82 0.00 0.00 55.36 53.51 2dmy s GLN 33 Cb -0.08 -1.34 -0.02 0.00 -1.09 0.00 0.00 33.01 30.48 2dmy s GLN 33 CO 0.27 0.04 -0.17 0.71 -1.32 0.00 0.00 175.29 174.82 2dmy s TYR 34 N 0.60 2.69 0.11 9.60 1.51 -1.26 -4.62 117.35 125.98 2dmy s TYR 34 Ca -0.13 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 2dmy s TYR 34 Cb -0.15 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2dmy s TYR 34 CO 0.03 -0.14 -0.24 0.21 -1.11 0.00 0.00 175.55 174.31 2dmy s LYS 35 N -0.01 1.25 -0.60 -0.62 2.47 -1.08 -4.95 119.74 116.20 2dmy s LYS 35 Ca -0.05 -1.24 -0.17 0.00 -1.56 0.00 0.00 55.97 52.94 2dmy s LYS 35 Cb -0.14 -1.62 0.13 0.00 -1.46 0.00 0.00 37.83 34.74 2dmy s LYS 35 CO 0.04 0.38 0.64 -1.17 0.16 0.00 0.00 175.35 175.40 2dmy s LEU 36 N -1.97 5.84 0.18 5.43 2.96 -1.26 -1.08 118.68 128.77 2dmy s LEU 36 Ca 0.10 -1.71 -0.17 0.00 -0.22 0.00 0.00 54.13 52.12 2dmy s LEU 36 Cb -0.10 -2.26 0.13 0.00 0.50 0.00 0.00 46.19 44.46 2dmy s LEU 36 CO 0.05 -0.96 1.64 -0.07 -1.32 0.00 0.00 176.35 175.69 2dmy h LEU 37 N 9.34 -0.58 -7.51 -0.68 3.38 -1.34 -3.46 115.31 114.46 2dmy h LEU 37 Ca -0.25 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.06 2dmy h LEU 37 Cb 1.09 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 42.08 2dmy h LEU 37 CO 1.05 -0.20 0.53 -0.94 0.09 0.00 0.00 178.44 178.97 2dmy s SER 38 N -5.18 -0.19 -0.02 -0.43 1.04 -1.24 -5.07 113.70 102.61 2dmy s SER 38 Ca -0.14 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2dmy s SER 38 Cb 0.16 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2dmy s SER 38 CO 0.71 -0.78 0.01 -1.58 0.98 0.00 0.00 173.24 172.57 2dmy s GLN 39 N -3.15 0.14 0.21 4.02 -0.44 -1.26 -1.88 119.66 117.31 2dmy s GLN 39 Ca 0.11 0.08 0.01 0.00 -2.50 0.00 0.00 55.36 53.07 2dmy s GLN 39 Cb -0.01 -0.31 -0.05 0.00 -1.64 0.00 0.00 33.01 31.00 2dmy s GLN 39 CO -0.00 -0.11 0.07 -1.12 0.50 0.00 0.00 175.29 174.63 2dmy s SER 40 N 0.78 1.01 0.00 6.67 0.01 -1.11 -4.93 113.70 116.13 2dmy s SER 40 Ca -0.07 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2dmy s SER 40 Cb -0.10 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2dmy s SER 40 CO -0.02 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2dmy n GLY 41 N -0.34 -2.86 0.20 3.44 0.00 -1.26 0.38 105.19 104.75 2dmy n GLY 41 Ca -0.02 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.08 -1.14 -0.00 1.61 -0.04 -1.25 -4.80 135.00 129.29 2dmy n PRO 42 Ca 0.00 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 2dmy n PRO 42 Cb 0.00 -0.09 -0.14 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.58 0.88 0.00 0.52 3.04 -1.98 -3.01 116.25 114.12 2dmy h VAL 43 Ca -0.02 -2.68 -0.24 0.00 -1.01 0.00 0.00 66.70 62.75 2dmy h VAL 43 Cb 0.07 2.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.80 2dmy h VAL 43 CO 0.02 0.62 -1.33 1.12 -1.01 0.00 0.00 177.57 176.99 2dmy h HIS 44 N 0.02 0.00 -1.73 3.17 2.07 -1.94 -3.38 115.15 113.36 2dmy h HIS 44 Ca -0.29 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.68 2dmy h HIS 44 Cb 2.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 31.57 2dmy h HIS 44 CO 0.02 0.94 -0.80 0.00 -3.07 0.00 0.00 177.93 175.02 2dmy n ALA 45 N -2.44 4.49 -1.51 6.11 0.00 -1.26 -4.99 120.51 120.90 2dmy n ALA 45 Ca -0.08 -4.22 -0.33 0.00 0.00 0.00 0.00 53.44 48.81 2dmy n ALA 45 Cb 0.97 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 -3.38 2.80 -0.41 0.00 0.04 -1.14 -3.84 135.00 129.08 2dmy s PRO 46 Ca 0.45 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2dmy s PRO 46 Cb 0.37 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 33.06 2dmy s PRO 46 CO -0.14 -1.25 0.20 0.08 0.04 0.00 0.00 177.00 175.94 2dmy s VAL 47 N -2.35 3.33 -0.67 -0.36 1.01 0.16 -4.27 120.40 117.26 2dmy s VAL 47 Ca 0.67 -2.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 2dmy s VAL 47 Cb -0.20 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2dmy s VAL 47 CO 0.42 -0.67 1.08 -0.36 0.00 0.00 0.00 175.10 175.56 2dmy s PHE 48 N 1.16 2.55 -0.65 5.22 0.40 -0.62 -2.75 117.98 123.29 2dmy s PHE 48 Ca 0.08 -0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 55.90 2dmy s PHE 48 Cb -0.23 -4.39 0.05 0.00 0.51 0.00 0.00 43.02 38.96 2dmy s PHE 48 CO -0.04 -1.75 1.06 0.99 0.70 0.00 0.00 175.22 176.18 2dmy s THR 49 N 4.67 4.15 0.51 0.64 2.01 -0.79 -2.41 115.64 124.41 2dmy s THR 49 Ca 0.29 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2dmy s THR 49 Cb -0.13 -4.72 0.02 0.00 0.01 0.00 0.00 72.50 67.68 2dmy s THR 49 CO 0.14 -1.48 0.72 -0.04 -0.69 0.00 0.00 174.62 173.27 2dmy s MET 50 N 4.57 2.74 -0.06 4.92 -1.94 -0.71 -0.94 119.30 127.89 2dmy s MET 50 Ca 0.29 -0.71 -0.23 0.00 -1.71 0.00 0.00 55.69 53.34 2dmy s MET 50 Cb -0.13 -2.53 0.05 0.00 2.01 0.00 0.00 34.83 34.23 2dmy s MET 50 CO 0.15 -0.53 0.51 -1.54 -0.01 0.00 0.00 175.02 173.60 2dmy s SER 51 N -4.35 -0.46 -0.00 3.03 1.04 -0.24 -1.83 113.70 110.89 2dmy s SER 51 Ca 0.54 0.52 -0.09 0.00 0.48 0.00 0.00 55.95 57.40 2dmy s SER 51 Cb -0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2dmy s SER 51 CO 0.38 -0.48 0.18 0.54 0.98 0.00 0.00 173.24 174.83 2dmy s VAL 52 N -1.03 0.07 -0.42 5.02 0.11 -0.10 -2.62 120.40 121.42 2dmy s VAL 52 Ca -0.10 -0.62 -0.07 0.00 -2.93 0.00 0.00 61.98 58.25 2dmy s VAL 52 Cb -0.03 -0.46 0.10 0.00 -1.53 0.00 0.00 36.38 34.46 2dmy s VAL 52 CO 0.06 -0.34 0.26 1.51 -3.33 0.00 0.00 175.10 173.26 2dmy s ASP 53 N -1.31 5.52 0.00 3.54 -4.77 -1.26 -0.16 116.67 118.24 2dmy s ASP 53 Ca -0.14 -1.73 0.04 0.00 -3.30 0.00 0.00 52.55 47.42 2dmy s ASP 53 Cb -0.07 -1.94 -0.01 0.00 -1.09 0.00 0.00 42.92 39.81 2dmy s ASP 53 CO 0.02 -0.57 -0.12 -0.69 0.70 0.00 0.00 175.17 174.51 2dmy s VAL 54 N 1.33 0.98 -1.41 2.11 1.01 -0.97 -4.83 120.40 118.63 2dmy s VAL 54 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2dmy s VAL 54 Cb -0.24 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2dmy s VAL 54 CO -0.00 0.19 0.36 -0.90 0.00 0.00 0.00 175.10 174.74 2dmy n ASP 55 N 2.53 -0.59 -2.02 3.32 5.75 -1.26 0.67 116.55 124.96 2dmy n ASP 55 Ca -0.15 -1.09 -0.11 0.00 -0.01 0.00 0.00 54.79 53.44 2dmy n ASP 55 Cb 0.56 -2.66 -0.02 0.00 -1.03 0.00 0.00 41.12 37.97 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dmy n GLY 56 N -2.11 0.07 2.84 6.12 0.00 -1.26 -4.91 105.19 105.94 2dmy n GLY 56 Ca -0.29 0.00 -0.29 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 -2.29 1.00 -0.38 2.61 2.01 0.21 -5.10 115.64 113.71 2dmy s THR 57 Ca 0.00 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2dmy s THR 57 Cb 0.00 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.14 2dmy s THR 57 CO 0.00 -0.14 1.27 -0.89 -0.69 0.00 0.00 174.62 174.18 2dmy s THR 58 N 1.64 4.12 0.07 -0.82 2.01 -1.26 -2.28 115.64 119.12 2dmy s THR 58 Ca -0.03 1.20 -0.00 0.00 0.31 0.00 0.00 61.69 63.17 2dmy s THR 58 Cb -0.18 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2dmy s THR 58 CO -0.07 -0.70 0.23 -0.31 -0.69 0.00 0.00 174.62 173.08 2dmy s TYR 59 N 4.66 3.51 -0.10 4.92 1.51 0.77 -4.94 117.35 127.69 2dmy s TYR 59 Ca 0.55 0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.84 2dmy s TYR 59 Cb -0.13 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2dmy s TYR 59 CO 0.27 0.57 0.20 -1.21 -1.11 0.00 0.00 175.55 174.27 2dmy s GLU 60 N -2.55 0.08 -0.02 -0.62 8.01 -1.26 -0.93 118.70 121.41 2dmy s GLU 60 Ca 0.36 0.61 0.00 0.00 0.01 0.00 0.00 54.97 55.95 2dmy s GLU 60 Cb -0.13 -0.19 0.02 0.00 -4.31 0.00 0.00 34.13 29.53 2dmy s GLU 60 CO 0.28 -0.29 0.02 0.00 0.01 0.00 0.00 175.26 175.28 2dmy s ALA 61 N 2.24 0.08 0.31 5.21 0.00 -0.76 -4.95 121.76 123.89 2dmy s ALA 61 Ca 0.01 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.29 2dmy s ALA 61 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2dmy s ALA 61 CO -0.07 -0.09 0.39 -1.54 0.00 0.00 0.00 175.76 174.46 2dmy s SER 62 N 0.90 5.87 0.39 0.00 1.04 -1.26 -1.74 113.70 118.89 2dmy s SER 62 Ca -0.08 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 2dmy s SER 62 Cb -0.11 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.74 2dmy s SER 62 CO -0.02 -0.31 0.76 -0.83 0.98 0.00 0.00 173.24 173.81 2dmy s GLY 63 N -4.07 0.51 0.47 7.32 0.00 -1.01 -4.81 107.32 105.73 2dmy s GLY 63 Ca 0.41 -0.85 0.25 0.00 0.00 0.00 0.00 44.72 44.53 2dmy s GLY 63 CO 0.29 -0.39 1.89 -0.56 0.00 0.00 0.00 173.10 174.33 2dmy h PRO 64 N 2.01 0.00 -3.18 2.90 0.13 -1.91 -1.66 132.00 130.29 2dmy h PRO 64 Ca -0.32 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 2dmy h PRO 64 Cb 1.25 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 2dmy h PRO 64 CO 0.41 0.19 -0.49 0.45 -0.23 0.00 0.00 178.00 178.33 2dmy s SER 65 N -6.15 -0.22 0.30 1.44 0.15 -1.26 -4.36 113.70 103.60 2dmy s SER 65 Ca -0.00 0.43 0.04 0.00 0.70 0.00 0.00 55.95 57.12 2dmy s SER 65 Cb 0.11 0.39 0.79 0.00 -1.71 0.00 0.00 66.02 65.60 2dmy s SER 65 CO 0.62 -0.10 1.49 1.17 1.20 0.00 0.00 173.24 177.61 2dmy n LYS 66 N 3.42 -0.07 0.01 5.44 4.81 -1.26 -0.94 118.16 129.57 2dmy n LYS 66 Ca -0.17 1.41 -0.06 0.00 -0.87 0.00 0.00 58.31 58.61 2dmy n LYS 66 Cb 0.56 -2.27 -0.04 0.00 0.02 0.00 0.00 35.03 33.31 2dmy n LYS 66 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2dmy h LYS 67 N 0.00 -0.24 -1.01 1.64 1.63 -1.96 -1.87 116.57 114.76 2dmy h LYS 67 Ca 0.60 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.54 2dmy h LYS 67 Cb 1.29 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.89 2dmy h LYS 67 CO -0.87 -0.16 0.63 1.15 -3.45 0.00 0.00 179.45 176.75 2dmy h THR 68 N -0.25 0.90 -0.45 1.00 2.02 -1.46 -2.54 112.91 112.14 2dmy h THR 68 Ca 0.01 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2dmy h THR 68 Cb 0.28 -0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 2dmy h THR 68 CO -0.15 0.18 -0.49 0.00 0.37 0.00 0.00 175.52 175.43 2dmy h ALA 69 N 1.55 -0.58 -0.96 6.16 0.00 -0.30 0.22 119.26 125.35 2dmy h ALA 69 Ca 0.50 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.62 2dmy h ALA 69 Cb 0.52 1.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2dmy h ALA 69 CO -0.27 -0.95 0.61 0.87 0.00 0.00 0.00 179.25 179.50 2dmy h LYS 70 N -0.34 0.72 -0.02 0.00 1.57 -0.97 -1.53 116.57 116.00 2dmy h LYS 70 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dmy h LYS 70 Cb 0.59 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2dmy h LYS 70 CO -0.61 0.48 0.00 1.25 -0.57 0.00 0.00 179.45 180.00 2dmy h LEU 71 N 0.75 0.03 -0.24 2.94 5.85 -0.64 -3.12 115.31 120.89 2dmy h LEU 71 Ca 0.51 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 59.04 2dmy h LEU 71 Cb 0.80 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 2dmy h LEU 71 CO -0.28 0.27 -0.31 0.45 -0.34 0.00 0.00 178.44 178.23 2dmy h HIS 72 N -0.21 -0.87 -0.85 1.25 3.86 0.23 -1.23 115.15 117.34 2dmy h HIS 72 Ca 0.01 0.05 0.21 0.00 -1.16 0.00 0.00 60.37 59.47 2dmy h HIS 72 Cb 0.26 0.42 -0.15 0.00 1.06 0.00 0.00 27.41 28.99 2dmy h HIS 72 CO 0.01 -0.38 0.05 0.28 0.86 0.00 0.00 177.93 178.75 2dmy h VAL 73 N -0.33 0.25 -0.27 2.45 2.07 -1.42 0.16 116.25 119.16 2dmy h VAL 73 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2dmy h VAL 73 Cb 0.53 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2dmy h VAL 73 CO -0.42 0.02 0.15 0.00 0.02 0.00 0.00 177.57 177.34 2dmy h ALA 74 N 1.80 0.34 -0.80 1.67 0.00 -1.18 -2.55 119.26 118.53 2dmy h ALA 74 Ca 0.49 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.59 2dmy h ALA 74 Cb 0.93 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 2dmy h ALA 74 CO -0.73 -0.24 0.22 0.28 0.00 0.00 0.00 179.25 178.78 2dmy h VAL 75 N 0.31 0.45 0.47 0.00 2.07 -0.12 -1.26 116.25 118.17 2dmy h VAL 75 Ca 0.11 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2dmy h VAL 75 Cb 0.01 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2dmy h VAL 75 CO -0.06 0.05 -0.23 0.11 0.02 0.00 0.00 177.57 177.46 2dmy h LYS 76 N 0.27 -0.61 -0.68 1.57 1.57 -1.08 -2.01 116.57 115.60 2dmy h LYS 76 Ca 0.47 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.44 2dmy h LYS 76 Cb 0.87 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.19 2dmy h LYS 76 CO -0.56 -0.38 -0.13 0.28 -0.57 0.00 0.00 179.45 178.09 2dmy h VAL 77 N -0.67 0.34 -0.59 0.50 2.07 -0.98 0.11 116.25 117.02 2dmy h VAL 77 Ca -0.06 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2dmy h VAL 77 Cb 0.50 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2dmy h VAL 77 CO 0.11 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.99 2dmy h LEU 78 N 0.02 0.59 -1.30 2.57 3.38 -1.19 -1.64 115.31 117.75 2dmy h LEU 78 Ca 0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2dmy h LEU 78 Cb 0.53 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2dmy h LEU 78 CO -0.68 0.41 0.48 1.56 0.09 0.00 0.00 178.44 180.31 2dmy h GLN 79 N 0.72 0.91 -0.27 1.13 4.20 -0.10 0.95 115.11 122.65 2dmy h GLN 79 Ca 0.24 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 2dmy h GLN 79 Cb 0.02 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2dmy h GLN 79 CO -0.10 0.60 -0.06 0.00 -0.67 0.00 0.00 178.83 178.60 2dmy h ALA 80 N 1.56 0.37 0.00 3.87 0.00 -0.33 -2.95 119.26 121.78 2dmy h ALA 80 Ca 0.28 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2dmy h ALA 80 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2dmy h ALA 80 CO -0.07 0.18 -0.33 0.52 0.00 0.00 0.00 179.25 179.55 2dmy h MET 81 N 0.27 0.00 0.00 0.00 2.86 -0.86 -3.47 114.93 113.74 2dmy h MET 81 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2dmy h MET 81 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2dmy h MET 81 CO 0.03 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2dmy n GLY 82 N -0.27 1.35 3.73 8.32 0.00 -0.00 -5.10 105.19 113.20 2dmy n GLY 82 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 3.05 -0.29 1.61 2.02 0.12 -5.01 117.35 116.85 2dmy s TYR 83 Ca 0.00 -0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.40 2dmy s TYR 83 Cb 0.00 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2dmy s TYR 83 CO 0.00 0.50 1.65 -1.25 -1.57 0.00 0.00 175.55 174.89 2dmy s PRO 84 N -2.59 3.60 -0.26 -1.71 0.04 -1.26 -4.27 135.00 128.55 2dmy s PRO 84 Ca 0.28 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2dmy s PRO 84 Cb -0.11 -4.09 -0.15 0.00 0.04 0.00 0.00 34.50 30.19 2dmy s PRO 84 CO 0.20 -1.54 -0.24 0.25 0.04 0.00 0.00 177.00 175.72 2dmy n THR 85 N 6.88 1.53 -2.70 1.26 -2.24 -1.26 -5.06 114.28 112.69 2dmy n THR 85 Ca 0.20 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 2dmy n THR 85 Cb 0.46 -1.74 0.01 0.00 -2.10 0.00 0.00 70.33 66.96 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 1.62 -1.24 3.64 3.38 0.00 -1.26 -4.99 105.19 106.34 2dmy n GLY 86 Ca -0.49 1.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 2dmy n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dmy s PHE 87 N -2.44 -0.45 0.24 1.61 5.36 -1.26 -5.02 117.98 116.02 2dmy s PHE 87 Ca 0.21 0.92 -0.08 0.00 -0.96 0.00 0.00 56.93 57.02 2dmy s PHE 87 Cb -0.06 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 42.91 2dmy s PHE 87 CO 0.68 -0.22 0.37 0.34 -1.46 0.00 0.00 175.22 174.93 2dmy s ASP 88 N 1.09 0.05 -0.41 6.13 2.15 -1.26 -5.07 116.67 119.36 2dmy s ASP 88 Ca -0.07 -1.11 0.05 0.00 0.43 0.00 0.00 52.55 51.85 2dmy s ASP 88 Cb -0.04 0.53 0.45 0.00 -0.30 0.00 0.00 42.92 43.56 2dmy s ASP 88 CO -0.13 -1.06 1.39 0.00 -0.17 0.00 0.00 175.17 175.21 2dmy n ALA 89 N -0.36 5.37 -1.89 3.66 0.00 -1.26 -4.72 120.51 121.31 2dmy n ALA 89 Ca -0.00 -3.80 -0.28 0.00 0.00 0.00 0.00 53.44 49.36 2dmy n ALA 89 Cb 0.63 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 19.40 2dmy n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dmy n ASP 90 N -0.72 5.68 -4.33 0.00 2.03 -1.26 -5.06 116.55 112.88 2dmy n ASP 90 Ca 0.48 -3.76 -0.33 0.00 0.52 0.00 0.00 54.79 51.69 2dmy n ASP 90 Cb 0.84 -0.53 0.11 0.00 -0.72 0.00 0.00 41.12 40.82 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2dmy n ILE 91 N -0.73 0.00 -2.73 5.18 -5.35 -1.26 -4.93 119.36 109.54 2dmy n ILE 91 Ca 0.48 -0.25 -0.38 0.00 -0.27 0.00 0.00 62.75 62.34 2dmy n ILE 91 Cb 0.84 -0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.17 2dmy n ILE 91 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2dmy s SER 92 N -1.82 7.31 0.00 7.28 1.04 -1.26 -4.72 113.70 121.53 2dmy s SER 92 Ca 0.54 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.87 2dmy s SER 92 Cb -0.19 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2dmy s SER 92 CO 0.70 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.44 2dmy n GLY 93 N 0.70 -0.07 3.66 7.32 0.00 -1.26 -5.03 105.19 110.51 2dmy n GLY 93 Ca 0.02 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2dmy n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmy s PRO 94 N -0.53 4.19 0.16 1.61 0.04 -1.26 -4.99 135.00 134.22 2dmy s PRO 94 Ca 0.00 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 2dmy s PRO 94 Cb 0.00 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.65 2dmy s PRO 94 CO 0.00 -0.81 0.46 -1.54 0.04 0.00 0.00 177.00 175.15 2dmy s SER 95 N 2.90 -0.23 0.65 6.66 1.04 -1.26 -5.17 113.70 118.29 2dmy s SER 95 Ca 0.67 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 2dmy s SER 95 Cb -0.29 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2dmy s SER 95 CO 0.25 -0.96 1.04 -0.55 0.98 0.00 0.00 173.24 174.00 2dmy s SER 96 N -2.85 5.95 0.00 7.02 0.15 -1.26 -5.25 113.70 117.46 2dmy s SER 96 Ca 0.07 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2dmy s SER 96 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dmy s SER 96 CO -0.06 -1.05 0.18 0.61 1.20 0.00 0.00 173.24 174.12