#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5c s ALA 9 N 0.00 3.11 -0.07 3.04 0.00 -1.16 -4.97 121.76 121.71 2k5c s ALA 9 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2k5c s ALA 9 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2k5c s ALA 9 CO 0.00 0.53 -0.08 0.15 0.00 0.00 0.00 175.76 176.36 2k5c s LYS 10 N -0.68 2.79 0.14 0.00 1.02 -1.26 -0.45 119.74 121.29 2k5c s LYS 10 Ca 0.11 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 2k5c s LYS 10 Cb -0.12 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 2k5c s LYS 10 CO 0.02 0.62 1.26 0.00 -0.92 0.00 0.00 175.35 176.33 2k5c n PRO 12 N 3.26 0.11 -0.11 0.00 -0.04 -1.26 -1.60 135.00 135.37 2k5c n PRO 12 Ca 0.08 0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 2k5c n PRO 12 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2k5c n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k5c n ILE 13 N -1.42 1.50 -0.12 0.52 -0.00 -1.26 -4.84 119.36 113.74 2k5c n ILE 13 Ca 0.07 -0.04 -0.18 0.00 -0.00 0.00 0.00 62.75 62.60 2k5c n ILE 13 Cb 0.22 -2.17 -0.11 0.00 -0.00 0.00 0.00 39.64 37.58 2k5c n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k5c n GLY 15 N 2.22 1.04 3.87 0.00 0.00 -0.63 -5.00 105.19 106.69 2k5c n GLY 15 Ca -0.44 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2k5c n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5c s SER 16 N -2.56 6.67 0.22 1.61 0.15 -1.26 -4.70 113.70 113.82 2k5c s SER 16 Ca 0.00 0.85 -0.30 0.00 0.70 0.00 0.00 55.95 57.19 2k5c s SER 16 Cb 0.00 -2.20 -0.10 0.00 -1.71 0.00 0.00 66.02 62.02 2k5c s SER 16 CO 0.00 0.13 1.41 -2.16 1.20 0.00 0.00 173.24 173.81 2k5c s PRO 17 N -2.06 4.30 0.02 5.44 0.04 -1.26 -3.07 135.00 138.41 2k5c s PRO 17 Ca 0.36 2.22 0.08 0.00 0.04 0.00 0.00 61.00 63.70 2k5c s PRO 17 Cb -0.14 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2k5c s PRO 17 CO 0.19 -0.38 -0.23 -0.51 0.04 0.00 0.00 177.00 176.10 2k5c s LEU 18 N -0.13 2.29 -0.10 -3.56 1.43 0.40 -5.01 118.68 113.99 2k5c s LEU 18 Ca 0.59 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 2k5c s LEU 18 Cb -0.40 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2k5c s LEU 18 CO 0.40 0.28 0.50 -0.54 0.23 0.00 0.00 176.35 177.22 2k5c s LYS 19 N -1.10 4.33 0.46 1.70 1.02 -1.26 -2.96 119.74 121.93 2k5c s LYS 19 Ca 0.12 0.50 0.24 0.00 0.02 0.00 0.00 55.97 56.85 2k5c s LYS 19 Cb -0.10 -3.42 1.09 0.00 -0.52 0.00 0.00 37.83 34.88 2k5c s LYS 19 CO 0.02 0.19 1.91 -1.49 -0.92 0.00 0.00 175.35 175.06 2k5c h TRP 20 N 6.55 0.00 -0.14 3.18 4.06 -1.99 -3.05 115.95 124.56 2k5c h TRP 20 Ca -0.42 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.40 2k5c h TRP 20 Cb 1.18 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2k5c h TRP 20 CO 0.63 0.21 -0.47 0.93 -3.56 0.00 0.00 178.44 176.18 2k5c h GLU 21 N 0.00 0.35 0.03 0.49 5.08 -1.94 -3.06 114.58 115.53 2k5c h GLU 21 Ca -0.00 -0.19 -0.23 0.00 -1.00 0.00 0.00 59.36 57.94 2k5c h GLU 21 Cb 0.60 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k5c h GLU 21 CO 0.03 0.75 -1.00 0.93 -1.00 0.00 0.00 179.01 178.72 2k5c h GLU 22 N 0.29 0.31 -0.59 2.33 5.08 -1.92 -2.75 114.58 117.32 2k5c h GLU 22 Ca 0.02 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2k5c h GLU 22 Cb 0.93 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2k5c h GLU 22 CO 0.08 1.09 0.10 1.25 -1.00 0.00 0.00 179.01 180.53 2k5c h LEU 23 N 0.16 0.94 0.20 1.33 5.85 -1.56 -1.91 115.31 120.32 2k5c h LEU 23 Ca -0.08 -0.26 -0.31 0.00 0.84 0.00 0.00 57.88 58.07 2k5c h LEU 23 Cb 1.65 -0.25 0.03 0.00 0.37 0.00 0.00 40.66 42.46 2k5c h LEU 23 CO 0.16 0.96 -1.39 0.40 -0.34 0.00 0.00 178.44 178.24 2k5c h ILE 24 N 0.89 1.37 -0.31 4.05 1.08 -1.66 -3.10 117.51 119.82 2k5c h ILE 24 Ca 0.18 -2.84 -0.09 0.00 -0.39 0.00 0.00 64.86 61.72 2k5c h ILE 24 Cb 0.42 3.00 -0.02 0.00 -3.07 0.00 0.00 36.82 37.15 2k5c h ILE 24 CO 0.01 0.84 -0.18 -0.08 -0.69 0.00 0.00 178.15 178.06 2k5c h GLU 25 N 0.12 0.56 0.00 2.37 4.81 -1.52 -2.15 114.58 118.78 2k5c h GLU 25 Ca -0.21 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 2k5c h GLU 25 Cb 2.09 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.41 2k5c h GLU 25 CO 0.25 0.72 -0.40 0.93 -0.73 0.00 0.00 179.01 179.77 2k5c h GLU 26 N 0.51 0.00 -0.56 1.92 5.08 -1.48 -3.30 114.58 116.74 2k5c h GLU 26 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2k5c h GLU 26 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k5c h GLU 26 CO 0.04 0.38 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 2k5c n MET 27 N -3.19 3.34 -0.49 2.33 2.81 -1.15 -4.49 117.12 116.30 2k5c n MET 27 Ca 0.02 -2.70 0.06 0.00 -1.81 0.00 0.00 57.70 53.27 2k5c n MET 27 Cb 0.69 -1.72 0.25 0.00 -0.71 0.00 0.00 33.22 31.73 2k5c n MET 27 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2k5c n LEU 28 N 0.90 3.65 -0.25 4.03 7.94 -0.82 -4.20 117.00 128.25 2k5c n LEU 28 Ca 0.22 -1.85 0.13 0.00 -1.11 0.00 0.00 56.01 53.41 2k5c n LEU 28 Cb 0.77 -0.53 0.46 0.00 0.53 0.00 0.00 43.42 44.65 2k5c n LEU 28 CO 0.19 0.55 0.74 2.30 -1.11 0.00 0.00 177.39 180.06 2k5c n ILE 29 N 0.58 0.00 -3.87 1.96 -5.35 -1.26 -4.90 119.36 106.52 2k5c n ILE 29 Ca 0.18 -0.13 -0.36 0.00 -0.27 0.00 0.00 62.75 62.16 2k5c n ILE 29 Cb 0.73 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.87 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2k5c s ILE 30 N -2.40 5.48 -0.50 7.28 1.01 -1.26 -5.03 121.20 125.77 2k5c s ILE 30 Ca 0.28 0.18 0.24 0.00 0.00 0.00 0.00 60.65 61.35 2k5c s ILE 30 Cb 0.20 -3.43 0.23 0.00 0.01 0.00 0.00 42.46 39.47 2k5c s ILE 30 CO 0.48 0.57 1.52 -0.33 0.00 0.00 0.00 174.94 177.18 2k5c h GLU 31 N 4.79 0.00 0.00 2.79 5.08 -1.96 -3.29 114.58 121.99 2k5c h GLU 31 Ca -0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2k5c h GLU 31 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k5c h GLU 31 CO 0.60 0.00 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.64 2k5c h ASN 32 N 0.00 0.00 -0.70 1.42 4.21 -2.00 -3.35 115.58 115.17 2k5c h ASN 32 Ca 0.00 -0.01 0.11 0.00 1.21 0.00 0.00 56.30 57.61 2k5c h ASN 32 Cb 0.90 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.06 2k5c h ASN 32 CO 0.00 0.01 0.46 0.15 -1.29 0.00 0.00 177.43 176.76 2k5c h PHE 33 N 0.00 0.56 -0.03 1.19 3.04 -1.94 -0.64 116.94 119.12 2k5c h PHE 33 Ca 0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 2k5c h PHE 33 Cb 0.82 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2k5c h PHE 33 CO 0.00 0.25 -0.14 0.93 -2.02 0.00 0.00 178.31 177.34 2k5c h GLU 34 N 0.51 0.04 0.11 1.11 5.08 -1.82 0.55 114.58 120.16 2k5c h GLU 34 Ca 0.33 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.37 2k5c h GLU 34 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k5c h GLU 34 CO -0.11 0.18 -1.61 0.93 -1.00 0.00 0.00 179.01 177.40 2k5c h GLU 35 N 0.04 0.23 -0.22 2.33 4.39 -1.43 -3.38 114.58 116.54 2k5c h GLU 35 Ca 0.01 -0.39 -0.20 0.00 0.34 0.00 0.00 59.36 59.12 2k5c h GLU 35 Cb 0.27 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2k5c h GLU 35 CO 0.02 1.06 -0.65 0.82 -1.16 0.00 0.00 179.01 179.11 2k5c h ILE 36 N 0.06 1.28 0.00 3.13 2.04 -1.07 -3.29 117.51 119.66 2k5c h ILE 36 Ca -0.27 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2k5c h ILE 36 Cb 2.02 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2k5c h ILE 36 CO 0.14 0.59 0.00 1.62 0.00 0.00 0.00 178.15 180.51 2k5c h VAL 37 N 0.59 0.00 0.00 1.67 3.04 -1.07 -2.51 116.25 117.98 2k5c h VAL 37 Ca -0.01 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2k5c h VAL 37 Cb 1.26 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2k5c h VAL 37 CO 0.14 0.00 -0.87 0.11 -1.01 0.00 0.00 177.57 175.94 2k5c h LYS 38 N 0.00 0.00 -4.41 4.17 1.57 -1.73 -3.46 116.57 112.71 2k5c h LYS 38 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2k5c h LYS 38 Cb 0.15 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.08 2k5c h LYS 38 CO 0.00 0.00 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.58 2k5c s ASP 39 N -5.31 3.75 0.43 0.86 1.01 -0.94 -5.02 116.67 111.44 2k5c s ASP 39 Ca 0.01 -1.11 0.08 0.00 0.71 0.00 0.00 52.55 52.24 2k5c s ASP 39 Cb 0.10 -1.19 0.92 0.00 1.01 0.00 0.00 42.92 43.75 2k5c s ASP 39 CO 0.77 -0.21 2.07 0.03 0.21 0.00 0.00 175.17 178.04 2k5c h ARG 40 N 7.96 0.46 -0.05 8.23 -0.00 -1.88 -1.99 114.38 127.10 2k5c h ARG 40 Ca -0.20 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.15 2k5c h ARG 40 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 2k5c h ARG 40 CO 0.43 0.31 -0.44 1.49 0.00 0.00 0.00 179.97 181.75 2k5c h GLU 41 N 0.47 0.10 0.08 0.04 4.81 -1.95 -2.25 114.58 115.88 2k5c h GLU 41 Ca 0.13 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 2k5c h GLU 41 Cb -0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2k5c h GLU 41 CO -0.03 0.53 -1.30 0.00 -0.73 0.00 0.00 179.01 177.48 2k5c h ARG 42 N 0.09 0.17 -0.16 1.92 3.08 -1.79 -3.19 114.38 114.48 2k5c h ARG 42 Ca 0.00 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 2k5c h ARG 42 Cb 0.82 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2k5c h ARG 42 CO 0.06 1.07 -0.35 0.35 -1.07 0.00 0.00 179.97 180.02 2k5c h PHE 43 N 0.05 0.67 0.00 3.04 3.04 -1.33 -0.97 116.94 121.44 2k5c h PHE 43 Ca -0.15 -0.25 -0.09 0.00 3.98 0.00 0.00 57.97 61.47 2k5c h PHE 43 Cb 1.93 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.31 2k5c h PHE 43 CO 0.04 0.98 -0.43 -0.07 -2.02 0.00 0.00 178.31 176.81 2k5c h LEU 44 N 0.16 0.00 0.00 0.59 3.38 -1.58 -2.45 115.31 115.42 2k5c h LEU 44 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2k5c h LEU 44 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2k5c h LEU 44 CO 0.08 0.43 -0.98 0.00 0.09 0.00 0.00 178.44 178.06 2k5c h ALA 45 N 1.57 0.59 0.13 1.53 0.00 -1.60 -3.25 119.26 118.23 2k5c h ALA 45 Ca -0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 54.91 53.83 2k5c h ALA 45 Cb 0.82 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.69 2k5c h ALA 45 CO 0.06 0.97 -1.25 1.96 0.00 0.00 0.00 179.25 180.98 2k5c h GLN 46 N 0.00 0.57 -0.42 0.00 1.08 -1.07 -2.96 115.11 112.31 2k5c h GLN 46 Ca -0.07 -0.78 -0.13 0.00 -1.45 0.00 0.00 58.65 56.21 2k5c h GLN 46 Cb 1.60 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 29.29 2k5c h GLN 46 CO 0.08 1.35 -0.26 0.28 -0.95 0.00 0.00 178.83 179.33 2k5c h VAL 47 N 0.24 1.28 0.00 -0.54 2.07 -1.60 -0.61 116.25 117.08 2k5c h VAL 47 Ca -0.18 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 2k5c h VAL 47 Cb 1.93 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2k5c h VAL 47 CO 0.23 0.48 -0.34 -0.33 0.02 0.00 0.00 177.57 177.63 2k5c h GLU 48 N 0.74 0.00 0.00 1.57 5.08 -1.69 -3.01 114.58 117.27 2k5c h GLU 48 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 2k5c h GLU 48 Cb 0.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2k5c h GLU 48 CO 0.07 0.34 -1.53 0.39 -1.00 0.00 0.00 179.01 177.29 2k5c n GLU 49 N -3.65 0.63 -3.69 2.33 1.02 -1.12 -3.69 120.64 112.47 2k5c n GLU 49 Ca -0.01 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 2k5c n GLU 49 Cb 0.45 -1.77 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2k5c n GLU 49 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2k5c s PHE 50 N -2.91 3.58 0.10 -0.32 0.08 -0.24 -5.00 117.98 113.27 2k5c s PHE 50 Ca -0.04 0.66 -0.01 0.00 0.12 0.00 0.00 56.93 57.67 2k5c s PHE 50 Cb 0.09 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2k5c s PHE 50 CO 0.82 0.58 0.26 0.54 -0.10 0.00 0.00 175.22 177.32 2k5c s VAL 51 N -1.33 5.33 0.04 -0.44 0.11 -1.26 -3.32 120.40 119.53 2k5c s VAL 51 Ca 0.29 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2k5c s VAL 51 Cb -0.14 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 2k5c s VAL 51 CO 0.17 0.07 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.48 2k5c s PHE 52 N -1.59 1.45 -0.07 1.54 0.08 0.35 -4.97 117.98 114.77 2k5c s PHE 52 Ca 0.36 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 2k5c s PHE 52 Cb -0.12 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2k5c s PHE 52 CO 0.27 0.06 0.13 0.15 -0.10 0.00 0.00 175.22 175.73 2k5c s LYS 53 N -1.16 3.33 -0.20 0.44 1.02 -1.26 -0.45 119.74 121.46 2k5c s LYS 53 Ca 0.04 -0.27 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 2k5c s LYS 53 Cb -0.08 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2k5c s LYS 53 CO 0.01 0.72 0.64 0.00 -0.92 0.00 0.00 175.35 175.80 2k5c n PRO 55 N 5.07 0.00 -0.11 0.00 -0.02 -1.26 -1.08 135.00 137.60 2k5c n PRO 55 Ca -0.01 0.22 -0.21 0.00 -2.02 0.00 0.00 63.50 61.48 2k5c n PRO 55 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k5c n VAL 56 N -1.50 1.51 -0.10 -1.45 0.31 -1.26 -4.79 118.33 111.06 2k5c n VAL 56 Ca 0.04 -0.11 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 2k5c n VAL 56 Cb 0.19 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 30.96 2k5c n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5c n GLY 58 N 1.48 0.49 3.87 0.00 0.00 -0.24 -5.04 105.19 105.75 2k5c n GLY 58 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2k5c n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5c s GLU 59 N -0.73 3.86 0.02 1.61 2.02 -1.26 -4.69 118.70 119.53 2k5c s GLU 59 Ca 0.00 0.52 -0.20 0.00 0.02 0.00 0.00 54.97 55.31 2k5c s GLU 59 Cb 0.00 -2.43 -0.06 0.00 0.10 0.00 0.00 34.13 31.74 2k5c s GLU 59 CO 0.00 0.07 0.57 -1.21 0.02 0.00 0.00 175.26 174.72 2k5c s GLU 60 N -3.43 4.26 0.03 1.61 2.02 -1.26 -2.50 118.70 119.43 2k5c s GLU 60 Ca 0.52 0.71 0.05 0.00 0.02 0.00 0.00 54.97 56.27 2k5c s GLU 60 Cb -0.10 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 2k5c s GLU 60 CO 0.25 0.46 -0.14 -0.59 0.02 0.00 0.00 175.26 175.27 2k5c s PHE 61 N -0.50 1.20 0.27 1.61 -0.71 0.41 -4.97 117.98 115.29 2k5c s PHE 61 Ca 0.30 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.82 2k5c s PHE 61 Cb -0.18 -0.73 -0.05 0.00 -1.21 0.00 0.00 43.02 40.84 2k5c s PHE 61 CO 0.17 0.02 0.55 0.71 -1.34 0.00 0.00 175.22 175.33 2k5c s TYR 62 N -0.70 3.47 -1.56 3.49 2.02 -1.26 -0.50 117.35 122.32 2k5c s TYR 62 Ca 0.02 0.67 0.26 0.00 -0.37 0.00 0.00 57.07 57.66 2k5c s TYR 62 Cb -0.07 -2.12 1.39 0.00 -0.40 0.00 0.00 41.96 40.76 2k5c s TYR 62 CO 0.01 0.19 1.91 0.41 -1.57 0.00 0.00 175.55 176.50 2k5c n GLY 63 N -0.79 -1.08 0.08 0.71 0.00 -1.14 -3.19 105.19 99.78 2k5c n GLY 63 Ca -0.01 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2k5c n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k5c h LYS 64 N 0.00 0.00 -0.34 1.61 3.64 -1.78 -3.31 116.57 116.38 2k5c h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k5c h LYS 64 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k5c h LYS 64 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 2k5c n THR 65 N -2.20 0.44 -2.47 1.00 -2.24 -1.19 -5.00 114.28 102.61 2k5c n THR 65 Ca 0.04 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 2k5c n THR 65 Cb 0.44 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 2k5c n THR 65 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k5c s LEU 66 N -1.44 3.80 0.63 3.22 1.43 -1.25 -5.05 118.68 120.02 2k5c s LEU 66 Ca 0.36 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 55.22 2k5c s LEU 66 Cb 0.20 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2k5c s LEU 66 CO 0.29 -0.85 1.18 -2.84 0.23 0.00 0.00 176.35 174.36 2k5c s PRO 67 N -3.33 2.82 0.50 1.29 0.02 -1.26 -4.97 135.00 130.08 2k5c s PRO 67 Ca 0.67 1.71 0.34 0.00 0.02 0.00 0.00 61.00 63.74 2k5c s PRO 67 Cb -0.17 -1.92 1.60 0.00 0.02 0.00 0.00 34.50 34.03 2k5c s PRO 67 CO 0.22 -1.30 2.01 0.00 -0.33 0.00 0.00 177.00 177.61 2k5c h ARG 68 N 0.54 0.00 0.10 5.54 3.08 -2.00 -2.94 114.38 118.70 2k5c h ARG 68 Ca -0.49 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.27 2k5c h ARG 68 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2k5c h ARG 68 CO 0.54 0.00 -1.43 0.00 -1.07 0.00 0.00 179.97 178.01 2k5c h ARG 69 N 0.00 0.20 0.00 0.04 3.08 -2.02 -3.35 114.38 112.33 2k5c h ARG 69 Ca 0.00 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 2k5c h ARG 69 Cb 0.26 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2k5c h ARG 69 CO 0.00 1.07 -0.47 0.93 -1.07 0.00 0.00 179.97 180.42 2k5c h GLU 70 N 0.06 0.00 -0.21 0.04 5.08 -1.91 -3.19 114.58 114.45 2k5c h GLU 70 Ca -0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2k5c h GLU 70 Cb 1.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 2k5c h GLU 70 CO 0.16 0.47 -0.17 0.00 -1.00 0.00 0.00 179.01 178.47 2k5c h ALA 71 N 1.53 1.32 0.00 3.43 0.00 -1.68 -2.96 119.26 120.90 2k5c h ALA 71 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2k5c h ALA 71 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2k5c h ALA 71 CO 0.06 0.46 -0.57 0.93 0.00 0.00 0.00 179.25 180.13 2k5c h GLU 72 N 0.33 0.00 0.00 0.00 5.08 -1.70 -3.22 114.58 115.07 2k5c h GLU 72 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2k5c h GLU 72 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k5c h GLU 72 CO 0.03 0.57 -0.39 0.87 -1.00 0.00 0.00 179.01 179.09 2k5c h LYS 73 N 0.00 0.00 -0.59 2.33 1.57 -1.55 -3.27 116.57 115.06 2k5c h LYS 73 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2k5c h LYS 73 Cb 1.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2k5c h LYS 73 CO 0.07 0.39 0.09 0.28 -0.57 0.00 0.00 179.45 179.72 2k5c h VAL 74 N 0.00 1.25 0.00 0.50 2.07 -1.54 -2.98 116.25 115.55 2k5c h VAL 74 Ca -0.00 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2k5c h VAL 74 Cb 0.87 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2k5c h VAL 74 CO 0.05 0.36 -0.00 -0.26 0.02 0.00 0.00 177.57 177.73 2k5c h PHE 75 N 0.90 0.00 -0.42 1.57 -1.00 -1.70 -3.18 116.94 113.10 2k5c h PHE 75 Ca 0.18 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.83 2k5c h PHE 75 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2k5c h PHE 75 CO 0.03 0.00 -0.25 1.49 -1.61 0.00 0.00 178.31 177.97 2k5c h GLU 76 N 0.00 0.91 -0.14 1.51 4.57 -1.69 -1.80 114.58 117.95 2k5c h GLU 76 Ca -0.00 -0.42 -0.15 0.00 -1.18 0.00 0.00 59.36 57.62 2k5c h GLU 76 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2k5c h GLU 76 CO 0.00 1.07 -0.54 1.37 -1.18 0.00 0.00 179.01 179.73 2k5c h LEU 77 N 0.74 0.45 -0.13 1.64 8.10 -1.67 -3.09 115.31 121.35 2k5c h LEU 77 Ca 0.09 -0.24 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 2k5c h LEU 77 Cb 0.82 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.91 2k5c h LEU 77 CO 0.07 0.90 -0.25 -0.07 -4.11 0.00 0.00 178.44 174.98 2k5c h LEU 78 N 0.31 0.00 -0.02 0.17 3.38 -1.59 -3.27 115.31 114.29 2k5c h LEU 78 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k5c h LEU 78 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k5c h LEU 78 CO 0.09 0.25 -0.31 0.59 0.09 0.00 0.00 178.44 179.16 2k5c n ASN 79 N -3.18 0.34 0.00 -0.43 3.02 -0.68 -4.12 115.26 110.21 2k5c n ASN 79 Ca 0.03 -0.02 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2k5c n ASN 79 Cb 0.61 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 39.87 2k5c n ASN 79 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2k5c h ASP 80 N 0.05 0.57 0.00 6.41 3.32 -1.59 -3.48 116.42 121.70 2k5c h ASP 80 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k5c h ASP 80 Cb 0.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k5c h ASP 80 CO 0.00 0.91 0.00 0.49 -1.72 0.00 0.00 179.24 178.92 2k5c n PHE 81 N -4.02 0.00 -4.66 4.55 3.01 -1.26 -4.57 117.46 110.52 2k5c n PHE 81 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 2k5c n PHE 81 Cb 0.52 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 2k5c n PHE 81 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2k5c s LYS 82 N 0.00 1.46 0.00 -1.08 1.02 -1.26 -4.97 119.74 114.91 2k5c s LYS 82 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2k5c s LYS 82 Cb 0.00 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 2k5c s LYS 82 CO 0.00 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 2k5c n GLY 83 N 3.22 1.45 0.00 -3.33 0.00 -1.26 -4.99 105.19 100.29 2k5c n GLY 83 Ca -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2k5c n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5c n GLY 84 N 2.33 3.12 3.47 -0.02 0.00 -1.26 -4.98 105.19 107.85 2k5c n GLY 84 Ca 0.00 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 2k5c n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5c s ILE 85 N -0.36 4.12 -0.13 -0.61 1.09 -1.26 -2.10 121.20 121.96 2k5c s ILE 85 Ca 0.00 -0.25 0.02 0.00 -1.10 0.00 0.00 60.65 59.31 2k5c s ILE 85 Cb 0.00 -2.88 -0.00 0.00 -1.06 0.00 0.00 42.46 38.52 2k5c s ILE 85 CO 0.00 0.42 -0.18 -0.62 -0.10 0.00 0.00 174.94 174.45 2k5c s ASP 86 N 1.02 3.51 0.09 3.58 -1.08 0.11 -4.98 116.67 118.92 2k5c s ASP 86 Ca 0.02 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 2k5c s ASP 86 Cb -0.14 -1.51 -0.25 0.00 -1.46 0.00 0.00 42.92 39.55 2k5c s ASP 86 CO 0.02 0.13 1.17 -0.50 0.52 0.00 0.00 175.17 176.51 2k5c h TRP 87 N 6.96 0.28 0.15 -5.34 4.06 -1.97 -1.62 115.95 118.47 2k5c h TRP 87 Ca -0.26 -0.20 -0.30 0.00 2.06 0.00 0.00 58.89 60.19 2k5c h TRP 87 Cb 1.21 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2k5c h TRP 87 CO 0.49 1.17 -1.37 0.93 -3.56 0.00 0.00 178.44 176.09 2k5c h GLU 88 N 0.04 0.32 0.00 0.49 5.08 -1.99 -3.36 114.58 115.17 2k5c h GLU 88 Ca -0.09 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2k5c h GLU 88 Cb 1.89 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.35 2k5c h GLU 88 CO 0.17 1.24 -1.08 0.09 -1.00 0.00 0.00 179.01 178.43 2k5c n ASN 89 N -3.55 0.61 -3.57 1.42 4.13 -1.26 -5.03 115.26 108.02 2k5c n ASN 89 Ca -0.12 -0.06 -0.22 0.00 1.68 0.00 0.00 54.58 55.86 2k5c n ASN 89 Cb 1.05 0.78 0.08 0.00 -1.54 0.00 0.00 39.78 40.15 2k5c n ASN 89 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2k5c n LYS 90 N -2.14 -7.15 -4.84 3.52 5.02 -0.64 -5.04 118.16 106.90 2k5c n LYS 90 Ca 0.01 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.78 2k5c n LYS 90 Cb 0.47 -5.81 -0.14 0.00 -0.02 0.00 0.00 35.03 29.53 2k5c n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k5c s ARG 91 N -5.97 2.87 -0.13 1.97 0.52 -1.05 -4.98 118.95 112.19 2k5c s ARG 91 Ca 0.34 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2k5c s ARG 91 Cb -0.15 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.83 2k5c s ARG 91 CO 0.74 0.46 -0.22 0.08 0.02 0.00 0.00 175.30 176.38 2k5c s VAL 92 N -0.29 2.10 -0.07 3.52 1.01 -1.26 -0.71 120.40 124.70 2k5c s VAL 92 Ca 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.07 2k5c s VAL 92 Cb -0.13 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2k5c s VAL 92 CO 0.03 0.55 -0.21 -0.75 0.00 0.00 0.00 175.10 174.72 2k5c s LYS 93 N 0.63 2.39 -0.10 2.72 2.20 -0.89 -4.87 119.74 121.82 2k5c s LYS 93 Ca -0.12 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 2k5c s LYS 93 Cb -0.16 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 2k5c s LYS 93 CO 0.02 0.24 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.53 2k5c s LEU 94 N 0.14 2.01 0.00 5.43 1.43 -1.26 -4.66 118.68 121.77 2k5c s LEU 94 Ca -0.09 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.58 2k5c s LEU 94 Cb -0.15 -1.31 0.08 0.00 0.03 0.00 0.00 46.19 44.84 2k5c s LEU 94 CO 0.05 0.14 0.80 0.29 0.23 0.00 0.00 176.35 177.86