#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 6.51 -0.30 1.61 0.01 -1.26 -5.07 113.70 115.20 2dmy s SER 2 Ca 0.00 0.60 -0.08 0.00 1.31 0.00 0.00 55.95 57.78 2dmy s SER 2 Cb 0.00 -2.15 0.16 0.00 0.21 0.00 0.00 66.02 64.24 2dmy s SER 2 CO 0.00 0.29 0.74 -0.94 0.41 0.00 0.00 173.24 173.74 2dmy s SER 3 N -0.55 -1.05 0.00 2.44 1.04 -1.26 -5.08 113.70 109.25 2dmy s SER 3 Ca 0.17 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2dmy s SER 3 Cb -0.13 2.02 0.00 0.00 0.10 0.00 0.00 66.02 68.01 2dmy s SER 3 CO 0.06 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2dmy n GLY 4 N 5.36 5.86 3.26 7.32 0.00 -1.26 -5.17 105.19 120.57 2dmy n GLY 4 Ca -0.07 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.40 2dmy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmy s SER 5 N 1.00 -0.49 -0.30 1.61 0.15 -1.26 -5.15 113.70 109.26 2dmy s SER 5 Ca 0.00 0.50 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 2dmy s SER 5 Cb 0.00 1.49 0.17 0.00 -1.71 0.00 0.00 66.02 65.97 2dmy s SER 5 CO 0.00 -0.09 0.95 -0.94 1.20 0.00 0.00 173.24 174.35 2dmy s SER 6 N 2.61 -0.66 0.00 5.45 1.04 -1.26 -5.16 113.70 115.72 2dmy s SER 6 Ca -0.01 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2dmy s SER 6 Cb -0.07 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.70 2dmy s SER 6 CO -0.15 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dmy n GLY 7 N 5.21 3.91 2.96 7.32 0.00 -1.26 -5.02 105.19 118.31 2dmy n GLY 7 Ca -0.07 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.54 2.51 0.95 1.61 0.52 -1.26 -5.09 118.95 114.65 2dmy s ARG 8 Ca 0.00 -3.14 -0.11 0.00 -0.52 0.00 0.00 55.73 51.96 2dmy s ARG 8 Cb 0.00 -3.51 0.16 0.00 0.52 0.00 0.00 34.95 32.12 2dmy s ARG 8 CO 0.00 -1.24 1.09 -1.59 0.02 0.00 0.00 175.30 173.58 2dmy s LYS 9 N -1.11 0.79 0.05 3.54 0.00 -1.26 -5.05 119.74 116.69 2dmy s LYS 9 Ca 0.23 1.07 0.08 0.00 0.00 0.00 0.00 55.97 57.35 2dmy s LYS 9 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 37.83 35.96 2dmy s LYS 9 CO -0.12 -2.64 -0.23 0.42 0.00 0.00 0.00 175.35 172.79 2dmy s ILE 10 N -2.74 1.88 -0.19 3.79 1.09 -1.26 -5.06 121.20 118.70 2dmy s ILE 10 Ca 0.65 -1.29 -0.16 0.00 -1.10 0.00 0.00 60.65 58.75 2dmy s ILE 10 Cb -0.21 -1.62 -0.07 0.00 -1.06 0.00 0.00 42.46 39.50 2dmy s ILE 10 CO 0.59 0.27 -0.29 -0.11 -0.10 0.00 0.00 174.94 175.30 2dmy n LEU 11 N 1.80 1.92 -4.27 2.97 7.94 -1.26 -4.98 117.00 121.11 2dmy n LEU 11 Ca -0.17 0.39 -0.36 0.00 -1.11 0.00 0.00 56.01 54.76 2dmy n LEU 11 Cb 0.53 -0.79 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 2dmy n LEU 11 CO 0.23 -0.10 -0.12 -0.67 -1.11 0.00 0.00 177.39 175.61 2dmy n ASP 12 N -4.44 -2.21 -3.79 1.96 2.03 -1.26 -4.93 116.55 103.91 2dmy n ASP 12 Ca -0.22 -1.09 -0.21 0.00 0.52 0.00 0.00 54.79 53.79 2dmy n ASP 12 Cb 0.56 -2.43 -0.17 0.00 -0.72 0.00 0.00 41.12 38.36 2dmy n ASP 12 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2dmy s SER 13 N -3.52 1.23 0.06 1.67 0.01 -1.26 -5.14 113.70 106.75 2dmy s SER 13 Ca 0.60 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.72 2dmy s SER 13 Cb -0.34 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.46 2dmy s SER 13 CO 0.95 -0.16 0.34 -0.54 0.41 0.00 0.00 173.24 174.25 2dmy s LYS 14 N 1.64 3.67 0.22 12.44 -0.14 -1.26 -5.10 119.74 131.21 2dmy s LYS 14 Ca -0.00 0.04 0.10 0.00 -1.36 0.00 0.00 55.97 54.74 2dmy s LYS 14 Cb -0.13 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.97 2dmy s LYS 14 CO -0.03 0.58 -0.08 0.00 -0.76 0.00 0.00 175.35 175.06 2dmy s ALA 15 N -1.39 2.98 -0.61 5.17 0.00 -1.26 -5.10 121.76 121.56 2dmy s ALA 15 Ca 0.32 -1.59 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 2dmy s ALA 15 Cb -0.13 -0.68 0.16 0.00 0.00 0.00 0.00 23.12 22.47 2dmy s ALA 15 CO 0.18 0.38 0.48 0.42 0.00 0.00 0.00 175.76 177.22 2dmy s ILE 16 N -2.01 4.39 -1.37 0.00 1.01 -1.26 -4.67 121.20 117.30 2dmy s ILE 16 Ca 0.27 -2.33 -0.02 0.00 0.00 0.00 0.00 60.65 58.57 2dmy s ILE 16 Cb -0.07 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2dmy s ILE 16 CO 0.17 -0.87 0.69 0.47 0.00 0.00 0.00 174.94 175.40 2dmy n ASP 17 N 4.23 -1.59 0.01 3.58 9.92 -1.26 -4.88 116.55 126.55 2dmy n ASP 17 Ca 0.02 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.43 2dmy n ASP 17 Cb 0.41 -3.83 0.00 0.00 -0.64 0.00 0.00 41.12 37.06 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 -4.36 0.19 0.04 0.64 4.77 -1.26 -4.70 117.00 112.32 2dmy n LEU 18 Ca -0.24 0.04 0.20 0.00 -0.03 0.00 0.00 56.01 55.98 2dmy n LEU 18 Cb 0.65 -0.05 0.57 0.00 -2.33 0.00 0.00 43.42 42.26 2dmy n LEU 18 CO 0.71 -0.20 1.18 0.00 -1.33 0.00 0.00 177.39 177.75 2dmy h MET 19 N 0.00 0.00 -0.59 3.23 -0.00 -1.90 -0.83 114.93 114.84 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 0.70 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.19 2dmy h MET 19 CO 0.00 0.00 -0.19 -0.91 -0.00 0.00 0.00 176.91 175.81 2dmy h ASN 20 N 0.00 -0.69 -0.75 -0.10 4.21 -1.98 -1.91 115.58 114.35 2dmy h ASN 20 Ca 0.25 0.19 0.08 0.00 1.21 0.00 0.00 56.30 58.04 2dmy h ASN 20 Cb 1.78 0.42 -0.10 0.00 -1.12 0.00 0.00 38.32 39.30 2dmy h ASN 20 CO -0.00 -0.23 -0.39 0.00 -1.29 0.00 0.00 177.43 175.51 2dmy n ALA 21 N -3.05 -0.36 -0.00 -0.83 0.00 -0.32 -1.03 120.51 114.92 2dmy n ALA 21 Ca 0.06 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 54.16 2dmy n ALA 21 Cb 0.33 -0.18 -0.01 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 -0.16 -0.97 0.00 3.38 -1.56 -1.57 115.31 114.44 2dmy h LEU 22 Ca 0.16 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.33 2dmy h LEU 22 Cb 0.35 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 40.99 2dmy h LEU 22 CO -0.71 -0.04 -0.31 0.24 0.09 0.00 0.00 178.44 177.70 2dmy h MET 23 N -0.05 -0.01 -0.22 1.13 2.86 -1.19 -0.12 114.93 117.34 2dmy h MET 23 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2dmy h MET 23 Cb 0.06 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 2dmy h MET 23 CO -0.04 -0.00 -0.51 0.00 1.06 0.00 0.00 176.91 177.41 2dmy h ARG 24 N -0.01 -0.46 -1.10 1.72 -0.00 -0.44 0.22 114.38 114.31 2dmy h ARG 24 Ca 0.40 0.03 0.37 0.00 -0.50 0.00 0.00 59.98 60.29 2dmy h ARG 24 Cb 0.65 0.10 -0.14 0.00 0.00 0.00 0.00 29.97 30.58 2dmy h ARG 24 CO -0.98 -0.31 0.66 1.25 0.00 0.00 0.00 179.97 180.59 2dmy h LEU 25 N -0.48 0.39 -0.06 3.04 5.85 -0.06 0.42 115.31 124.41 2dmy h LEU 25 Ca 0.04 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 2dmy h LEU 25 Cb 0.60 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.79 2dmy h LEU 25 CO -0.46 -0.19 -0.44 0.78 -0.34 0.00 0.00 178.44 177.79 2dmy h ASN 26 N 0.20 0.50 -0.85 1.25 2.35 -0.49 -1.44 115.58 117.10 2dmy h ASN 26 Ca 0.77 -0.68 0.18 0.00 -0.55 0.00 0.00 56.30 56.03 2dmy h ASN 26 Cb 2.04 -0.15 -0.11 0.00 0.05 0.00 0.00 38.32 40.15 2dmy h ASN 26 CO -0.55 1.10 0.36 1.56 -1.65 0.00 0.00 177.43 178.25 2dmy h GLN 27 N -0.07 0.43 0.10 0.81 4.20 0.28 0.55 115.11 121.41 2dmy h GLN 27 Ca -0.04 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 2dmy h GLN 27 Cb 1.11 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.81 2dmy h GLN 27 CO 0.09 0.28 -0.81 -0.84 -0.67 0.00 0.00 178.83 176.88 2dmy h ILE 28 N 0.44 1.46 -2.90 2.54 3.07 -1.39 -3.41 117.51 117.32 2dmy h ILE 28 Ca 0.50 -2.40 -0.61 0.00 1.55 0.00 0.00 64.86 63.90 2dmy h ILE 28 Cb 0.86 2.98 -0.40 0.00 -0.27 0.00 0.00 36.82 39.99 2dmy h ILE 28 CO -0.47 0.69 -0.76 -0.13 -1.05 0.00 0.00 178.15 176.43 2dmy s ARG 29 N -2.71 1.17 0.51 0.16 0.52 -0.54 -5.12 118.95 112.93 2dmy s ARG 29 Ca -0.13 -1.92 -0.21 0.00 -0.52 0.00 0.00 55.73 52.95 2dmy s ARG 29 Cb 0.02 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.27 2dmy s ARG 29 CO 0.84 -1.18 1.15 -1.25 0.02 0.00 0.00 175.30 174.88 2dmy s PRO 30 N 0.43 3.54 -0.19 3.54 0.04 0.10 -4.21 135.00 138.24 2dmy s PRO 30 Ca 0.18 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2dmy s PRO 30 Cb -0.23 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2dmy s PRO 30 CO -0.01 -0.72 0.16 0.41 0.04 0.00 0.00 177.00 176.89 2dmy n GLY 31 N 0.29 0.45 3.94 0.56 0.00 -1.26 -5.06 105.19 104.10 2dmy n GLY 31 Ca 0.10 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 4.34 -0.11 0.99 1.43 -1.26 -5.11 118.68 115.85 2dmy s LEU 32 Ca 0.04 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2dmy s LEU 32 Cb -0.01 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.30 2dmy s LEU 32 CO 0.13 0.08 -0.19 0.00 0.23 0.00 0.00 176.35 176.60 2dmy s GLN 33 N -3.04 2.59 -0.14 1.70 -2.07 -1.26 -5.12 119.66 112.31 2dmy s GLN 33 Ca 0.35 -0.71 -0.02 0.00 -1.82 0.00 0.00 55.36 53.16 2dmy s GLN 33 Cb -0.12 -2.07 -0.02 0.00 -1.09 0.00 0.00 33.01 29.71 2dmy s GLN 33 CO 0.28 0.03 -0.08 0.71 -1.32 0.00 0.00 175.29 174.92 2dmy s TYR 34 N 0.70 2.93 0.25 9.60 1.51 -1.26 -4.65 117.35 126.44 2dmy s TYR 34 Ca -0.12 -0.45 0.11 0.00 -1.01 0.00 0.00 57.07 55.61 2dmy s TYR 34 Cb -0.16 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 2dmy s TYR 34 CO 0.02 -0.11 -0.15 0.15 -1.11 0.00 0.00 175.55 174.35 2dmy s LYS 35 N 0.36 1.82 -0.56 -0.62 -0.14 -1.08 -4.95 119.74 114.57 2dmy s LYS 35 Ca -0.07 -1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 52.83 2dmy s LYS 35 Cb -0.15 -1.91 0.14 0.00 -1.68 0.00 0.00 37.83 34.23 2dmy s LYS 35 CO 0.04 0.36 0.48 -1.17 -0.76 0.00 0.00 175.35 174.31 2dmy s LEU 36 N -3.29 6.04 0.18 3.17 2.96 -1.26 -1.42 118.68 125.06 2dmy s LEU 36 Ca 0.28 -2.03 -0.25 0.00 -0.22 0.00 0.00 54.13 51.90 2dmy s LEU 36 Cb -0.06 -2.12 0.06 0.00 0.50 0.00 0.00 46.19 44.57 2dmy s LEU 36 CO 0.15 -0.73 1.55 -0.07 -1.32 0.00 0.00 176.35 175.93 2dmy h LEU 37 N 8.46 -1.72 -7.00 -0.68 3.38 0.22 -3.45 115.31 114.51 2dmy h LEU 37 Ca -0.19 0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.22 2dmy h LEU 37 Cb 1.07 0.80 -0.18 0.00 0.09 0.00 0.00 40.66 42.45 2dmy h LEU 37 CO 0.91 -0.29 0.59 -0.55 0.09 0.00 0.00 178.44 179.19 2dmy s SER 38 N -5.34 -0.30 -0.16 -0.43 0.15 -1.25 -5.04 113.70 101.33 2dmy s SER 38 Ca -0.13 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2dmy s SER 38 Cb 0.15 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2dmy s SER 38 CO 0.66 -0.46 -0.19 -1.58 1.20 0.00 0.00 173.24 172.87 2dmy s GLN 39 N -2.51 3.06 0.06 5.44 0.74 -1.26 -2.49 119.66 122.69 2dmy s GLN 39 Ca 0.05 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.67 2dmy s GLN 39 Cb -0.01 -2.54 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 2dmy s GLN 39 CO -0.06 -0.09 -0.09 -1.12 -0.55 0.00 0.00 175.29 173.38 2dmy s SER 40 N 1.02 1.11 0.00 6.67 0.01 -1.14 -4.95 113.70 116.42 2dmy s SER 40 Ca -0.02 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2dmy s SER 40 Cb -0.14 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2dmy s SER 40 CO -0.06 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dmy n GLY 41 N 1.21 0.02 1.57 3.44 0.00 -1.26 -0.70 105.19 109.46 2dmy n GLY 41 Ca -0.21 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.32 -1.98 0.06 1.61 -0.04 -1.25 -4.81 135.00 128.26 2dmy n PRO 42 Ca 0.00 -0.78 0.03 0.00 -0.04 0.00 0.00 63.50 62.71 2dmy n PRO 42 Cb 0.00 -0.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.06 0.39 0.00 0.52 3.04 -1.99 -3.01 116.25 113.15 2dmy h VAL 43 Ca -0.18 -1.75 -0.18 0.00 -1.01 0.00 0.00 66.70 63.57 2dmy h VAL 43 Cb 0.56 1.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.74 2dmy h VAL 43 CO 0.12 0.22 -1.73 0.00 -1.01 0.00 0.00 177.57 175.18 2dmy n HIS 44 N -2.86 0.59 -2.68 3.17 1.44 -1.26 -4.44 115.22 109.17 2dmy n HIS 44 Ca -0.06 0.19 -0.21 0.00 -2.01 0.00 0.00 57.72 55.63 2dmy n HIS 44 Cb 0.76 -0.96 -0.00 0.00 0.12 0.00 0.00 29.99 29.91 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 -2.44 4.21 -1.77 1.59 0.00 -1.26 -5.09 120.51 115.75 2dmy n ALA 45 Ca -0.14 -3.95 -0.39 0.00 0.00 0.00 0.00 53.44 48.97 2dmy n ALA 45 Cb 0.85 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.29 4.12 -0.43 0.00 0.04 -1.13 -3.94 135.00 130.36 2dmy s PRO 46 Ca 0.41 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.24 2dmy s PRO 46 Cb 0.39 -2.77 0.06 0.00 0.04 0.00 0.00 34.50 32.22 2dmy s PRO 46 CO -0.10 -0.28 0.31 0.08 0.04 0.00 0.00 177.00 177.05 2dmy s VAL 47 N -1.34 4.84 -0.51 -0.36 1.01 0.12 -4.50 120.40 119.66 2dmy s VAL 47 Ca 0.55 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2dmy s VAL 47 Cb -0.33 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dmy s VAL 47 CO 0.42 -0.47 0.78 -0.36 0.00 0.00 0.00 175.10 175.47 2dmy s PHE 48 N 1.57 2.94 -0.51 5.22 0.08 -0.88 -2.88 117.98 123.52 2dmy s PHE 48 Ca 0.03 -0.16 -0.23 0.00 0.12 0.00 0.00 56.93 56.70 2dmy s PHE 48 Cb -0.22 -3.76 0.04 0.00 -0.57 0.00 0.00 43.02 38.51 2dmy s PHE 48 CO 0.06 -1.14 0.82 0.99 -0.10 0.00 0.00 175.22 175.85 2dmy s THR 49 N 3.30 4.58 0.51 0.64 2.01 -1.04 -2.29 115.64 123.35 2dmy s THR 49 Ca 0.25 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.44 2dmy s THR 49 Cb -0.15 -4.42 0.03 0.00 0.01 0.00 0.00 72.50 67.98 2dmy s THR 49 CO 0.17 -0.93 0.71 -0.04 -0.69 0.00 0.00 174.62 173.85 2dmy s MET 50 N 3.45 2.57 -0.13 4.92 -1.94 -1.09 0.88 119.30 127.97 2dmy s MET 50 Ca 0.27 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 52.91 2dmy s MET 50 Cb -0.14 -2.59 0.10 0.00 2.01 0.00 0.00 34.83 34.21 2dmy s MET 50 CO 0.19 -0.61 0.83 -1.54 -0.01 0.00 0.00 175.02 173.88 2dmy s SER 51 N -4.44 -0.54 -0.04 3.03 1.04 -0.51 -2.82 113.70 109.43 2dmy s SER 51 Ca 0.57 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.54 2dmy s SER 51 Cb -0.10 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2dmy s SER 51 CO 0.37 -0.45 0.28 0.54 0.98 0.00 0.00 173.24 174.96 2dmy s VAL 52 N -0.94 0.05 -0.32 5.02 0.11 -0.98 -2.62 120.40 120.72 2dmy s VAL 52 Ca -0.06 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.50 2dmy s VAL 52 Cb -0.01 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2dmy s VAL 52 CO 0.05 -0.22 0.18 -0.62 -3.33 0.00 0.00 175.10 171.16 2dmy s ASP 53 N -0.96 5.72 -0.02 3.54 2.15 -1.26 -0.98 116.67 124.86 2dmy s ASP 53 Ca -0.10 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.42 2dmy s ASP 53 Cb -0.05 -2.05 0.02 0.00 -0.30 0.00 0.00 42.92 40.55 2dmy s ASP 53 CO 0.03 -0.19 0.02 -0.69 -0.17 0.00 0.00 175.17 174.16 2dmy s VAL 54 N 1.65 -0.00 -1.46 1.11 1.01 -0.72 -4.87 120.40 117.12 2dmy s VAL 54 Ca 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 2dmy s VAL 54 Cb -0.17 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.16 2dmy s VAL 54 CO 0.08 0.07 0.64 -0.67 0.00 0.00 0.00 175.10 175.22 2dmy n ASP 55 N 3.87 -1.81 -1.34 3.32 -0.08 -1.26 0.42 116.55 119.66 2dmy n ASP 55 Ca -0.23 -0.93 -0.17 0.00 -1.51 0.00 0.00 54.79 51.95 2dmy n ASP 55 Cb 0.53 -3.36 -0.07 0.00 2.34 0.00 0.00 41.12 40.55 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 -1.74 1.58 2.96 0.27 0.00 -1.26 -4.94 105.19 102.06 2dmy n GLY 56 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.39 1.50 -0.07 2.61 2.01 0.17 -5.11 115.64 114.35 2dmy s THR 57 Ca 0.00 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 2dmy s THR 57 Cb 0.00 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2dmy s THR 57 CO 0.00 0.13 0.84 -0.89 -0.69 0.00 0.00 174.62 174.01 2dmy s THR 58 N 1.46 4.94 0.12 -0.82 2.01 -1.26 -1.76 115.64 120.32 2dmy s THR 58 Ca -0.01 1.72 0.05 0.00 0.31 0.00 0.00 61.69 63.76 2dmy s THR 58 Cb -0.16 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2dmy s THR 58 CO -0.08 0.16 0.05 -0.31 -0.69 0.00 0.00 174.62 173.75 2dmy s TYR 59 N 1.24 3.05 -0.04 4.92 1.51 -0.15 -4.96 117.35 122.91 2dmy s TYR 59 Ca 0.43 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.46 2dmy s TYR 59 Cb -0.19 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 2dmy s TYR 59 CO 0.20 0.50 0.08 -1.21 -1.11 0.00 0.00 175.55 174.02 2dmy s GLU 60 N -2.60 -0.01 -0.15 -0.62 2.02 -1.26 -2.33 118.70 113.74 2dmy s GLU 60 Ca 0.28 0.34 -0.06 0.00 0.02 0.00 0.00 54.97 55.55 2dmy s GLU 60 Cb -0.11 -0.31 0.07 0.00 0.10 0.00 0.00 34.13 33.88 2dmy s GLU 60 CO 0.20 -0.24 0.32 0.00 0.02 0.00 0.00 175.26 175.57 2dmy s ALA 61 N 1.59 -0.77 0.06 5.21 0.00 -1.13 -4.90 121.76 121.82 2dmy s ALA 61 Ca -0.03 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 2dmy s ALA 61 Cb -0.12 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 2dmy s ALA 61 CO -0.04 -0.67 0.30 -1.54 0.00 0.00 0.00 175.76 173.81 2dmy s SER 62 N 2.44 6.47 0.11 0.00 1.04 -1.26 -2.69 113.70 119.81 2dmy s SER 62 Ca -0.00 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2dmy s SER 62 Cb -0.12 -2.07 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dmy s SER 62 CO -0.10 0.17 0.12 0.61 0.98 0.00 0.00 173.24 175.02 2dmy n GLY 63 N 0.62 3.25 0.21 7.32 0.00 -0.97 -4.93 105.19 110.70 2dmy n GLY 63 Ca -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 0.43 -4.04 1.61 0.13 -1.89 -2.33 132.00 125.91 2dmy h PRO 64 Ca -0.08 -0.23 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 2dmy h PRO 64 Cb 0.37 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.34 2dmy h PRO 64 CO 0.11 0.79 -0.61 -1.12 -0.23 0.00 0.00 178.00 176.94 2dmy s SER 65 N -6.87 0.33 0.16 1.44 0.01 -1.26 -4.52 113.70 102.99 2dmy s SER 65 Ca -0.06 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 56.20 2dmy s SER 65 Cb 0.12 0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.61 2dmy s SER 65 CO 0.81 -0.54 1.59 0.11 0.41 0.00 0.00 173.24 175.62 2dmy h LYS 66 N 3.48 -0.26 -0.28 12.44 1.57 -1.88 0.25 116.57 131.88 2dmy h LYS 66 Ca -0.33 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2dmy h LYS 66 Cb 1.17 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2dmy h LYS 66 CO 0.57 -0.18 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.77 2dmy h LYS 67 N -0.27 -0.15 -0.78 3.15 1.63 -1.98 0.13 116.57 118.30 2dmy h LYS 67 Ca 0.16 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.07 2dmy h LYS 67 Cb 0.55 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 2dmy h LYS 67 CO -0.54 -0.10 0.51 1.15 -3.45 0.00 0.00 179.45 177.02 2dmy h THR 68 N -0.15 0.95 0.11 1.00 2.02 -1.88 -2.28 112.91 112.67 2dmy h THR 68 Ca 0.05 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.99 2dmy h THR 68 Cb 0.28 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2dmy h THR 68 CO -0.35 0.13 -0.16 0.00 0.37 0.00 0.00 175.52 175.51 2dmy h ALA 69 N 1.61 -0.28 -0.15 6.16 0.00 0.18 -0.55 119.26 126.23 2dmy h ALA 69 Ca 0.36 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.28 2dmy h ALA 69 Cb 0.45 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2dmy h ALA 69 CO -0.13 -0.69 0.13 0.87 0.00 0.00 0.00 179.25 179.43 2dmy h LYS 70 N -0.32 0.00 0.06 0.00 1.57 -0.29 -2.43 116.57 115.16 2dmy h LYS 70 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dmy h LYS 70 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2dmy h LYS 70 CO -0.08 0.00 -0.03 1.25 -0.57 0.00 0.00 179.45 180.02 2dmy h LEU 71 N 0.00 -0.07 -0.44 2.94 5.85 -0.99 -3.26 115.31 119.34 2dmy h LEU 71 Ca 0.07 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.33 2dmy h LEU 71 Cb 0.33 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 2dmy h LEU 71 CO -0.00 0.56 -0.39 0.45 -0.34 0.00 0.00 178.44 178.72 2dmy h HIS 72 N -0.76 -1.12 -0.78 1.25 3.86 -0.66 -1.04 115.15 115.90 2dmy h HIS 72 Ca -0.01 0.07 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 2dmy h HIS 72 Cb 0.61 0.55 -0.14 0.00 1.06 0.00 0.00 27.41 29.49 2dmy h HIS 72 CO 0.13 -0.42 -0.29 0.28 0.86 0.00 0.00 177.93 178.50 2dmy h VAL 73 N -0.28 0.14 -0.05 2.45 2.07 -1.61 -0.39 116.25 118.57 2dmy h VAL 73 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2dmy h VAL 73 Cb 0.57 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2dmy h VAL 73 CO -0.59 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 176.69 2dmy h ALA 74 N 1.45 -0.41 -0.98 1.67 0.00 -1.24 -1.72 119.26 118.03 2dmy h ALA 74 Ca 0.33 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.53 2dmy h ALA 74 Cb 0.58 0.56 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 2dmy h ALA 74 CO -0.82 -0.81 0.15 0.28 0.00 0.00 0.00 179.25 178.05 2dmy h VAL 75 N -0.43 0.05 -0.62 0.00 2.07 -0.56 0.92 116.25 117.69 2dmy h VAL 75 Ca 0.08 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2dmy h VAL 75 Cb 0.54 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2dmy h VAL 75 CO -0.30 0.01 0.16 0.11 0.02 0.00 0.00 177.57 177.57 2dmy h LYS 76 N 0.03 0.99 -0.16 1.57 1.57 -1.04 -2.18 116.57 117.35 2dmy h LYS 76 Ca 0.64 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2dmy h LYS 76 Cb 1.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2dmy h LYS 76 CO -0.86 0.89 0.10 0.28 -0.57 0.00 0.00 179.45 179.29 2dmy h VAL 77 N 0.91 1.06 -0.86 0.50 2.07 0.13 -2.09 116.25 117.97 2dmy h VAL 77 Ca 0.20 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2dmy h VAL 77 Cb 0.34 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2dmy h VAL 77 CO 0.00 0.06 0.56 -0.07 0.02 0.00 0.00 177.57 178.14 2dmy h LEU 78 N 0.19 0.94 -1.19 2.57 3.38 -0.99 -1.94 115.31 118.28 2dmy h LEU 78 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dmy h LEU 78 Cb 0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2dmy h LEU 78 CO -0.01 0.66 0.48 1.56 0.09 0.00 0.00 178.44 181.21 2dmy h GLN 79 N 1.11 1.03 0.03 1.13 4.20 -1.09 0.13 115.11 121.64 2dmy h GLN 79 Ca 0.33 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2dmy h GLN 79 Cb -0.04 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.52 2dmy h GLN 79 CO -0.10 0.71 -0.02 0.00 -0.67 0.00 0.00 178.83 178.75 2dmy h ALA 80 N 1.48 -0.04 0.00 3.87 0.00 -0.67 -2.29 119.26 121.61 2dmy h ALA 80 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2dmy h ALA 80 Cb -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dmy h ALA 80 CO -0.05 -0.48 -0.06 0.52 0.00 0.00 0.00 179.25 179.17 2dmy h MET 81 N -0.13 0.00 0.00 0.00 2.86 -1.19 -3.46 114.93 113.01 2dmy h MET 81 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dmy h MET 81 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2dmy h MET 81 CO 0.01 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.45 2dmy n GLY 82 N -0.57 1.82 3.92 8.32 0.00 -0.64 -5.11 105.19 112.94 2dmy n GLY 82 Ca -0.01 -0.01 -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 3.48 0.10 1.61 2.02 0.36 -5.00 117.35 117.92 2dmy s TYR 83 Ca 0.00 0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.80 2dmy s TYR 83 Cb 0.00 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.59 2dmy s TYR 83 CO 0.00 0.40 1.37 -1.25 -1.57 0.00 0.00 175.55 174.50 2dmy s PRO 84 N -3.09 4.33 0.44 -1.71 0.04 -1.26 -4.21 135.00 129.53 2dmy s PRO 84 Ca 0.39 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2dmy s PRO 84 Cb -0.11 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2dmy s PRO 84 CO 0.28 -0.43 0.10 0.95 0.04 0.00 0.00 177.00 177.94 2dmy s THR 85 N 1.25 0.69 -0.31 1.26 -4.23 -1.26 -5.00 115.64 108.04 2dmy s THR 85 Ca 0.64 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 2dmy s THR 85 Cb -0.35 -2.26 0.19 0.00 1.34 0.00 0.00 72.50 71.41 2dmy s THR 85 CO 0.30 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.64 2dmy s GLY 86 N -3.69 -1.37 -0.13 3.99 0.00 -1.26 -5.06 107.32 99.80 2dmy s GLY 86 Ca 0.18 1.63 -0.08 0.00 0.00 0.00 0.00 44.72 46.45 2dmy s GLY 86 CO 0.12 4.31 -0.20 1.97 0.00 0.00 0.00 173.10 179.29 2dmy n PHE 87 N 4.05 0.00 -2.09 1.90 -1.74 -1.26 -4.75 117.46 113.56 2dmy n PHE 87 Ca 0.07 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.57 2dmy n PHE 87 Cb 0.62 -0.48 -0.00 0.00 1.52 0.00 0.00 39.48 41.14 2dmy n PHE 87 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2dmy s ASP 88 N -6.28 6.21 -0.65 5.98 1.47 -1.26 -4.93 116.67 117.21 2dmy s ASP 88 Ca -0.20 2.57 -0.02 0.00 1.18 0.00 0.00 52.55 56.07 2dmy s ASP 88 Cb 0.07 -2.63 0.32 0.00 -0.34 0.00 0.00 42.92 40.34 2dmy s ASP 88 CO 0.26 -0.91 2.15 0.00 0.68 0.00 0.00 175.17 177.35 2dmy n ALA 89 N -0.10 6.27 -2.68 2.11 0.00 -1.26 -4.55 120.51 120.30 2dmy n ALA 89 Ca 0.05 -3.40 -0.21 0.00 0.00 0.00 0.00 53.44 49.88 2dmy n ALA 89 Cb 0.45 -1.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dmy n ASP 90 N -0.33 3.37 0.06 0.00 5.68 -1.26 -4.82 116.55 119.24 2dmy n ASP 90 Ca 0.53 -3.36 -0.12 0.00 -0.50 0.00 0.00 54.79 51.34 2dmy n ASP 90 Cb 0.48 -0.51 -0.13 0.00 -1.14 0.00 0.00 41.12 39.81 2dmy n ASP 90 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 2dmy h ILE 91 N 2.61 1.37 -3.36 2.12 -0.00 -2.02 -3.45 117.51 114.78 2dmy h ILE 91 Ca 0.14 -3.05 -0.57 0.00 -0.00 0.00 0.00 64.86 61.38 2dmy h ILE 91 Cb 0.93 2.79 -0.07 0.00 -0.00 0.00 0.00 36.82 40.47 2dmy h ILE 91 CO 0.71 0.84 0.06 -0.94 -0.00 0.00 0.00 178.15 178.83 2dmy s SER 92 N -6.82 6.85 0.71 2.16 1.04 -1.26 -5.06 113.70 111.32 2dmy s SER 92 Ca -0.04 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 2dmy s SER 92 Cb 0.08 -2.37 0.02 0.00 0.10 0.00 0.00 66.02 63.85 2dmy s SER 92 CO 0.85 -0.14 1.09 -0.83 0.98 0.00 0.00 173.24 175.19 2dmy s GLY 93 N 0.86 1.63 0.17 7.32 0.00 -1.26 -5.01 107.32 111.03 2dmy s GLY 93 Ca 0.33 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 2dmy s GLY 93 CO 0.14 0.07 1.32 2.56 0.00 0.00 0.00 173.10 177.19 2dmy s PRO 94 N -5.32 4.38 0.32 2.90 0.04 -1.26 -4.94 135.00 131.12 2dmy s PRO 94 Ca 0.58 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.42 2dmy s PRO 94 Cb -0.12 -3.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.05 2dmy s PRO 94 CO 0.52 -0.29 0.33 -1.13 0.04 0.00 0.00 177.00 176.47 2dmy n SER 95 N 2.98 -1.93 -4.26 6.66 3.41 -1.26 -4.88 113.62 114.34 2dmy n SER 95 Ca 0.07 0.96 -0.43 0.00 -0.26 0.00 0.00 58.87 59.21 2dmy n SER 95 Cb 0.43 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2dmy n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmy s SER 96 N -0.98 6.56 0.00 4.04 0.01 -1.26 -5.34 113.70 116.73 2dmy s SER 96 Ca 0.61 -3.14 0.26 0.00 1.31 0.00 0.00 55.95 54.99 2dmy s SER 96 Cb -0.75 -2.11 0.55 0.00 0.21 0.00 0.00 66.02 63.92 2dmy s SER 96 CO 0.60 -0.40 1.46 0.61 0.41 0.00 0.00 173.24 175.92