#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 2.93 -0.04 3.17 0.00 -0.90 -4.97 121.76 121.95 2k5c s ALA 9 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.12 2k5c s ALA 9 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2k5c s ALA 9 CO 0.00 0.56 -0.23 0.15 0.00 0.00 0.00 175.76 176.24 2k5c s LYS 10 N -0.77 2.30 -0.09 0.00 1.02 -1.26 -0.43 119.74 120.51 2k5c s LYS 10 Ca 0.12 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2k5c s LYS 10 Cb -0.11 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2k5c s LYS 10 CO 0.01 0.54 1.46 0.00 -0.92 0.00 0.00 175.35 176.44 2k5c n PRO 12 N 6.59 0.37 -0.10 0.00 -0.04 -1.26 -1.26 135.00 139.29 2k5c n PRO 12 Ca 0.15 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.22 1.50 -0.11 0.52 -0.00 -1.26 -4.85 119.36 113.95 2k5c n ILE 13 Ca 0.11 -0.03 -0.16 0.00 -0.00 0.00 0.00 62.75 62.67 2k5c n ILE 13 Cb 0.14 -2.18 -0.10 0.00 -0.00 0.00 0.00 39.64 37.50 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 2.39 1.27 3.84 0.00 0.00 -0.39 -5.03 105.19 107.27 2k5c n GLY 15 Ca -0.38 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2k5c n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k5c s SER 16 N -2.31 6.85 0.16 1.61 1.04 -1.26 -4.77 113.70 115.03 2k5c s SER 16 Ca 0.00 1.05 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 2k5c s SER 16 Cb 0.00 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.75 2k5c s SER 16 CO 0.00 0.21 1.41 -2.16 0.98 0.00 0.00 173.24 173.68 2k5c s PRO 17 N -1.54 4.31 0.04 4.02 0.04 -1.26 -2.99 135.00 137.62 2k5c s PRO 17 Ca 0.31 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.58 2k5c s PRO 17 Cb -0.16 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2k5c s PRO 17 CO 0.17 -0.42 -0.23 -0.51 0.04 0.00 0.00 177.00 176.05 2k5c s LEU 18 N 0.65 2.16 -0.13 -3.56 1.43 0.42 -5.03 118.68 114.62 2k5c s LEU 18 Ca 0.63 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 2k5c s LEU 18 Cb -0.39 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2k5c s LEU 18 CO 0.34 0.20 0.26 -0.54 0.23 0.00 0.00 176.35 176.83 2k5c s LYS 19 N -1.18 4.01 0.42 1.70 1.02 -1.26 -2.12 119.74 122.33 2k5c s LYS 19 Ca 0.09 0.05 0.20 0.00 0.02 0.00 0.00 55.97 56.33 2k5c s LYS 19 Cb -0.09 -3.34 0.94 0.00 -0.52 0.00 0.00 37.83 34.82 2k5c s LYS 19 CO 0.02 0.44 1.87 -1.49 -0.92 0.00 0.00 175.35 175.27 2k5c h TRP 20 N 5.97 0.00 -0.04 3.18 4.06 -1.96 -3.09 115.95 124.06 2k5c h TRP 20 Ca -0.46 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.35 2k5c h TRP 20 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2k5c h TRP 20 CO 0.65 0.28 -0.62 1.05 -3.56 0.00 0.00 178.44 176.24 2k5c h GLU 21 N 0.00 0.15 -0.06 0.49 9.09 -1.95 -3.24 114.58 119.06 2k5c h GLU 21 Ca -0.00 -0.11 -0.17 0.00 0.05 0.00 0.00 59.36 59.13 2k5c h GLU 21 Cb 0.64 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 2k5c h GLU 21 CO 0.04 0.72 -0.69 0.93 0.05 0.00 0.00 179.01 180.06 2k5c h GLU 22 N 0.11 0.28 -0.50 1.06 5.08 -1.88 -2.60 114.58 116.13 2k5c h GLU 22 Ca -0.01 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2k5c h GLU 22 Cb 1.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2k5c h GLU 22 CO 0.09 0.87 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.70 2k5c h LEU 23 N 0.20 1.03 -0.08 1.33 3.38 -1.62 -2.44 115.31 117.11 2k5c h LEU 23 Ca -0.02 -0.38 -0.22 0.00 0.09 0.00 0.00 57.88 57.35 2k5c h LEU 23 Cb 1.24 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2k5c h LEU 23 CO 0.11 1.19 -0.80 0.40 0.09 0.00 0.00 178.44 179.43 2k5c h ILE 24 N 0.87 1.31 -0.39 1.22 1.08 -1.62 -2.84 117.51 117.13 2k5c h ILE 24 Ca 0.12 -2.04 -0.10 0.00 -0.39 0.00 0.00 64.86 62.45 2k5c h ILE 24 Cb 0.78 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 2k5c h ILE 24 CO 0.06 0.63 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.92 2k5c h GLU 25 N 0.36 0.73 0.00 2.37 4.81 -1.52 -2.18 114.58 119.15 2k5c h GLU 25 Ca -0.08 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 2k5c h GLU 25 Cb 1.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2k5c h GLU 25 CO 0.16 0.85 -0.29 0.93 -0.73 0.00 0.00 179.01 179.93 2k5c h GLU 26 N 0.65 0.00 -0.55 1.92 5.08 -1.55 -3.31 114.58 116.83 2k5c h GLU 26 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2k5c h GLU 26 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k5c h GLU 26 CO 0.04 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 176.98 2k5c n MET 27 N -3.15 3.07 -0.38 2.33 2.81 -1.07 -4.52 117.12 116.20 2k5c n MET 27 Ca 0.03 -2.55 0.04 0.00 -1.81 0.00 0.00 57.70 53.42 2k5c n MET 27 Cb 0.64 -1.58 0.20 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.97 2.99 -0.23 4.03 7.94 -0.83 -4.07 117.00 127.80 2k5c n LEU 28 Ca 0.20 -1.51 0.14 0.00 -1.11 0.00 0.00 56.01 53.73 2k5c n LEU 28 Cb 0.65 -0.48 0.51 0.00 0.53 0.00 0.00 43.42 44.63 2k5c n LEU 28 CO 0.16 0.47 0.79 2.30 -1.11 0.00 0.00 177.39 180.00 2k5c n ILE 29 N 0.43 0.00 -4.17 1.96 -5.35 -1.26 -4.89 119.36 106.08 2k5c n ILE 29 Ca 0.14 -0.12 -0.35 0.00 -0.27 0.00 0.00 62.75 62.14 2k5c n ILE 29 Cb 0.60 0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.37 4.71 0.16 7.28 1.01 -1.26 -5.04 121.20 125.69 2k5c s ILE 30 Ca 0.30 -0.09 0.16 0.00 0.00 0.00 0.00 60.65 61.02 2k5c s ILE 30 Cb 0.20 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.71 2k5c s ILE 30 CO 0.46 0.57 1.66 1.05 0.00 0.00 0.00 174.94 178.68 2k5c h GLU 31 N 5.49 0.00 0.00 2.79 4.11 -1.95 -3.23 114.58 121.78 2k5c h GLU 31 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2k5c h GLU 31 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k5c h GLU 31 CO 0.59 0.47 0.00 -0.91 0.07 0.00 0.00 179.01 179.23 2k5c h ASN 32 N 0.00 0.00 -0.73 3.06 2.35 -2.00 -3.33 115.58 114.93 2k5c h ASN 32 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2k5c h ASN 32 Cb 1.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2k5c h ASN 32 CO 0.06 0.00 0.48 0.15 -1.65 0.00 0.00 177.43 176.47 2k5c h PHE 33 N 0.00 0.79 0.00 1.19 3.04 -1.93 -1.86 116.94 118.18 2k5c h PHE 33 Ca 0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2k5c h PHE 33 Cb 0.79 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 2k5c h PHE 33 CO 0.00 0.43 -0.03 0.93 -2.02 0.00 0.00 178.31 177.62 2k5c h GLU 34 N 0.79 0.00 0.08 1.11 5.08 -1.79 -0.89 114.58 118.95 2k5c h GLU 34 Ca 0.31 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.36 2k5c h GLU 34 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k5c h GLU 34 CO -0.10 0.03 -1.61 0.93 -1.00 0.00 0.00 179.01 177.26 2k5c h GLU 35 N 0.00 0.17 -0.28 2.33 5.08 -1.61 -3.39 114.58 116.88 2k5c h GLU 35 Ca -0.00 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.91 2k5c h GLU 35 Cb 0.05 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k5c h GLU 35 CO 0.00 0.96 -0.47 0.82 -1.00 0.00 0.00 179.01 179.33 2k5c h ILE 36 N 0.05 1.29 -0.01 3.13 2.04 -1.10 -3.29 117.51 119.61 2k5c h ILE 36 Ca -0.26 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 63.94 2k5c h ILE 36 Cb 2.00 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2k5c h ILE 36 CO 0.13 0.54 0.03 -0.37 0.00 0.00 0.00 178.15 178.48 2k5c h VAL 37 N 0.56 0.18 0.00 1.67 -1.51 -1.36 -1.87 116.25 113.92 2k5c h VAL 37 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.46 2k5c h VAL 37 Cb 1.07 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2k5c h VAL 37 CO 0.11 0.00 -0.88 0.11 -1.23 0.00 0.00 177.57 175.68 2k5c h LYS 38 N 0.00 0.00 -4.66 5.19 1.57 -1.75 -3.45 116.57 113.47 2k5c h LYS 38 Ca 0.01 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2k5c h LYS 38 Cb 0.07 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.00 2k5c h LYS 38 CO -0.00 0.07 -0.77 -0.51 -0.57 0.00 0.00 179.45 177.66 2k5c s ASP 39 N -5.62 4.41 0.39 0.86 1.01 -0.70 -5.01 116.67 112.00 2k5c s ASP 39 Ca 0.01 -1.59 0.06 0.00 0.71 0.00 0.00 52.55 51.74 2k5c s ASP 39 Cb 0.09 -1.47 0.81 0.00 1.01 0.00 0.00 42.92 43.36 2k5c s ASP 39 CO 0.77 -0.26 2.03 0.08 0.21 0.00 0.00 175.17 178.00 2k5c h ARG 40 N 7.77 0.62 -0.11 8.23 -0.00 -1.88 -1.99 114.38 127.03 2k5c h ARG 40 Ca -0.14 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.98 59.71 2k5c h ARG 40 Cb 1.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.86 2k5c h ARG 40 CO 0.47 0.41 -0.35 1.49 -0.00 0.00 0.00 179.97 181.98 2k5c h GLU 41 N 0.64 0.23 0.06 0.08 4.81 -1.95 -1.50 114.58 116.94 2k5c h GLU 41 Ca 0.20 -0.10 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 2k5c h GLU 41 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k5c h GLU 41 CO -0.05 0.56 -1.30 0.00 -0.73 0.00 0.00 179.01 177.49 2k5c h ARG 42 N 0.20 0.12 -0.01 1.92 3.08 -1.82 -3.26 114.38 114.61 2k5c h ARG 42 Ca 0.02 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 2k5c h ARG 42 Cb 0.72 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.86 2k5c h ARG 42 CO 0.05 1.00 -0.35 0.35 -1.07 0.00 0.00 179.97 179.96 2k5c h PHE 43 N 0.03 0.37 -0.13 3.04 3.04 -1.29 -2.97 116.94 119.02 2k5c h PHE 43 Ca -0.14 -0.19 -0.12 0.00 3.98 0.00 0.00 57.97 61.50 2k5c h PHE 43 Cb 1.91 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 2k5c h PHE 43 CO 0.03 0.99 -0.45 -0.07 -2.02 0.00 0.00 178.31 176.79 2k5c h LEU 44 N -0.35 0.34 -0.65 0.59 3.38 -1.47 -2.57 115.31 114.59 2k5c h LEU 44 Ca -0.04 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 2k5c h LEU 44 Cb 1.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2k5c h LEU 44 CO 0.07 0.75 -0.68 0.00 0.09 0.00 0.00 178.44 178.67 2k5c h ALA 45 N 1.27 0.88 0.11 1.53 0.00 -1.70 -3.06 119.26 118.29 2k5c h ALA 45 Ca 0.02 -0.61 -0.27 0.00 0.00 0.00 0.00 54.91 54.05 2k5c h ALA 45 Cb 0.89 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k5c h ALA 45 CO 0.07 0.84 -1.20 1.96 0.00 0.00 0.00 179.25 180.92 2k5c h GLN 46 N 0.01 0.30 -0.45 0.00 4.20 -1.44 -2.99 115.11 114.74 2k5c h GLN 46 Ca -0.01 -0.47 -0.11 0.00 0.06 0.00 0.00 58.65 58.12 2k5c h GLN 46 Cb 1.20 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 2k5c h GLN 46 CO 0.09 1.21 -0.16 0.28 -0.67 0.00 0.00 178.83 179.58 2k5c h VAL 47 N 0.10 1.27 0.00 -0.54 2.07 -1.54 -0.49 116.25 117.12 2k5c h VAL 47 Ca -0.13 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 2k5c h VAL 47 Cb 1.91 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2k5c h VAL 47 CO 0.20 0.44 -0.29 -0.33 0.02 0.00 0.00 177.57 177.61 2k5c h GLU 48 N 0.74 0.00 0.00 1.57 5.08 -1.66 -2.78 114.58 117.52 2k5c h GLU 48 Ca 0.11 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2k5c h GLU 48 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2k5c h GLU 48 CO 0.05 0.29 -1.75 0.39 -1.00 0.00 0.00 179.01 177.00 2k5c n GLU 49 N -3.37 0.64 -4.01 2.33 1.02 -1.13 -3.55 120.64 112.58 2k5c n GLU 49 Ca 0.01 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 2k5c n GLU 49 Cb 0.51 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 2k5c n GLU 49 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k5c s PHE 50 N -2.95 3.34 0.21 -0.32 2.19 -0.20 -5.03 117.98 115.23 2k5c s PHE 50 Ca -0.06 0.19 0.01 0.00 0.33 0.00 0.00 56.93 57.40 2k5c s PHE 50 Cb 0.09 -1.71 -0.04 0.00 -1.31 0.00 0.00 43.02 40.05 2k5c s PHE 50 CO 0.83 0.56 0.38 0.54 1.83 0.00 0.00 175.22 179.37 2k5c s VAL 51 N -1.37 5.22 0.03 3.12 0.11 -1.26 -3.65 120.40 122.60 2k5c s VAL 51 Ca 0.29 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2k5c s VAL 51 Cb -0.12 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 30.94 2k5c s VAL 51 CO 0.21 -0.22 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.22 2k5c s PHE 52 N -1.91 1.61 -0.09 1.54 0.08 0.33 -4.98 117.98 114.56 2k5c s PHE 52 Ca 0.37 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.97 2k5c s PHE 52 Cb -0.11 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 2k5c s PHE 52 CO 0.30 0.05 0.25 0.15 -0.10 0.00 0.00 175.22 175.87 2k5c s LYS 53 N -0.96 3.80 -0.50 0.44 1.02 -1.26 -0.37 119.74 121.91 2k5c s LYS 53 Ca 0.06 0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.93 2k5c s LYS 53 Cb -0.08 -3.26 0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2k5c s LYS 53 CO 0.01 0.61 0.65 0.00 -0.92 0.00 0.00 175.35 175.71 2k5c n PRO 55 N 6.30 0.10 -0.09 0.00 -0.02 -1.26 -0.71 135.00 139.31 2k5c n PRO 55 Ca -0.05 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.47 2k5c n PRO 55 Cb 0.46 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k5c h VAL 56 N 0.00 1.16 0.00 -1.45 2.07 -1.97 -3.44 116.25 112.62 2k5c h VAL 56 Ca 0.00 -2.13 -0.36 0.00 0.82 0.00 0.00 66.70 65.03 2k5c h VAL 56 Cb 0.19 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2k5c h VAL 56 CO 0.00 0.39 -2.19 0.00 0.02 0.00 0.00 177.57 175.79 2k5c n GLY 58 N 1.65 1.00 3.89 0.00 0.00 0.11 -5.08 105.19 106.76 2k5c n GLY 58 Ca -0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.03 3.67 -0.07 1.61 0.41 -1.26 -4.76 118.70 118.27 2k5c s GLU 59 Ca 0.00 0.02 -0.12 0.00 -0.41 0.00 0.00 54.97 54.46 2k5c s GLU 59 Cb 0.00 -2.76 -0.05 0.00 -1.78 0.00 0.00 34.13 29.54 2k5c s GLU 59 CO 0.00 0.38 0.29 -1.21 -0.49 0.00 0.00 175.26 174.24 2k5c s GLU 60 N -2.86 3.81 0.02 1.61 2.02 -1.26 -1.79 118.70 120.25 2k5c s GLU 60 Ca 0.43 0.16 0.06 0.00 0.02 0.00 0.00 54.97 55.65 2k5c s GLU 60 Cb -0.12 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2k5c s GLU 60 CO 0.24 0.64 -0.19 -0.59 0.02 0.00 0.00 175.26 175.39 2k5c s PHE 61 N -0.77 1.64 0.09 1.61 -0.71 0.50 -4.95 117.98 115.38 2k5c s PHE 61 Ca 0.19 -0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 55.73 2k5c s PHE 61 Cb -0.14 -1.00 -0.04 0.00 -1.21 0.00 0.00 43.02 40.62 2k5c s PHE 61 CO 0.08 0.04 0.27 0.71 -1.34 0.00 0.00 175.22 174.98 2k5c s TYR 62 N -0.66 3.50 -1.17 3.49 2.02 -1.26 -0.51 117.35 122.76 2k5c s TYR 62 Ca 0.06 0.33 0.22 0.00 -0.37 0.00 0.00 57.07 57.31 2k5c s TYR 62 Cb -0.08 -1.82 1.03 0.00 -0.40 0.00 0.00 41.96 40.69 2k5c s TYR 62 CO 0.01 0.54 1.73 0.41 -1.57 0.00 0.00 175.55 176.66 2k5c n GLY 63 N 0.15 -1.18 0.15 0.71 0.00 -1.05 -3.03 105.19 100.94 2k5c n GLY 63 Ca -0.04 -0.09 0.10 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 -0.11 1.61 3.64 -1.77 -3.34 116.57 116.60 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 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k5c h LYS 64 CO 0.00 0.06 0.00 0.25 -2.27 0.00 0.00 179.45 177.49 2k5c n THR 65 N -2.86 0.12 -3.40 1.00 -2.24 -1.17 -4.97 114.28 100.76 2k5c n THR 65 Ca 0.00 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 2k5c n THR 65 Cb 0.58 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.83 4.35 0.79 3.22 1.02 -1.25 -5.06 118.68 119.90 2k5c s LEU 66 Ca 0.34 1.02 -0.12 0.00 0.02 0.00 0.00 54.13 55.39 2k5c s LEU 66 Cb 0.20 -3.19 0.07 0.00 0.02 0.00 0.00 46.19 43.29 2k5c s LEU 66 CO 0.31 0.12 1.13 -2.16 0.02 0.00 0.00 176.35 175.77 2k5c s PRO 67 N -1.91 1.99 0.40 1.29 0.04 -1.26 -4.91 135.00 130.64 2k5c s PRO 67 Ca 0.36 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.88 2k5c s PRO 67 Cb -0.15 -1.85 0.84 0.00 0.04 0.00 0.00 34.50 33.38 2k5c s PRO 67 CO 0.19 -1.87 2.00 0.00 0.04 0.00 0.00 177.00 177.35 2k5c h ARG 68 N -1.02 0.38 -0.97 4.56 3.08 -1.99 -2.65 114.38 115.77 2k5c h ARG 68 Ca -0.44 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.62 2k5c h ARG 68 Cb 1.25 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.16 2k5c h ARG 68 CO 0.49 0.36 0.63 0.00 -1.07 0.00 0.00 179.97 180.37 2k5c h ARG 69 N 0.38 1.11 0.00 0.04 3.08 -2.00 -0.96 114.38 116.02 2k5c h ARG 69 Ca 0.09 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 2k5c h ARG 69 Cb 0.14 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2k5c h ARG 69 CO -0.00 0.73 -0.74 0.93 -1.07 0.00 0.00 179.97 179.82 2k5c h GLU 70 N 1.14 0.00 -0.14 0.04 5.08 -1.88 -3.30 114.58 115.52 2k5c h GLU 70 Ca 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2k5c h GLU 70 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k5c h GLU 70 CO -0.17 0.74 -0.37 0.00 -1.00 0.00 0.00 179.01 178.21 2k5c h ALA 71 N 1.26 1.11 0.00 3.43 0.00 -1.09 -3.08 119.26 120.90 2k5c h ALA 71 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2k5c h ALA 71 Cb 1.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k5c h ALA 71 CO 0.10 0.57 -0.29 0.93 0.00 0.00 0.00 179.25 180.56 2k5c h GLU 72 N 0.26 0.00 0.00 0.00 4.39 -1.26 -3.12 114.58 114.84 2k5c h GLU 72 Ca 0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2k5c h GLU 72 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2k5c h GLU 72 CO 0.06 0.29 -0.35 0.87 -1.16 0.00 0.00 179.01 178.72 2k5c h LYS 73 N 0.00 0.00 -0.48 2.33 1.57 -1.62 -3.14 116.57 115.23 2k5c h LYS 73 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2k5c h LYS 73 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2k5c h LYS 73 CO 0.04 0.35 -0.12 0.28 -0.57 0.00 0.00 179.45 179.43 2k5c h VAL 74 N 0.00 1.26 0.00 0.50 2.07 -1.63 -2.99 116.25 115.47 2k5c h VAL 74 Ca -0.00 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2k5c h VAL 74 Cb 0.70 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2k5c h VAL 74 CO 0.05 0.43 -0.13 0.15 0.02 0.00 0.00 177.57 178.09 2k5c h PHE 75 N 0.80 0.00 -0.42 1.57 3.04 -1.67 -3.21 116.94 117.05 2k5c h PHE 75 Ca 0.13 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.95 2k5c h PHE 75 Cb 0.65 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 2k5c h PHE 75 CO 0.04 0.13 -0.22 1.49 -2.02 0.00 0.00 178.31 177.72 2k5c h GLU 76 N 0.00 0.89 -0.01 1.11 4.81 -1.61 -2.30 114.58 117.47 2k5c h GLU 76 Ca -0.00 -0.40 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 2k5c h GLU 76 Cb 0.27 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k5c h GLU 76 CO 0.02 1.05 -0.57 1.37 -0.73 0.00 0.00 179.01 180.14 2k5c h LEU 77 N 0.72 0.05 -0.30 1.64 8.10 -1.63 -1.40 115.31 122.50 2k5c h LEU 77 Ca 0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 57.88 57.96 2k5c h LEU 77 Cb 0.79 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2k5c h LEU 77 CO 0.07 0.61 -0.43 -0.07 -4.11 0.00 0.00 178.44 174.50 2k5c h LEU 78 N 0.03 0.00 0.00 0.17 3.38 -1.56 -3.29 115.31 114.04 2k5c h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5c h LEU 78 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k5c h LEU 78 CO 0.08 0.43 -1.36 0.59 0.09 0.00 0.00 178.44 178.27 2k5c n ASN 79 N -3.29 0.48 -3.44 -0.43 3.02 -0.87 -4.56 115.26 106.17 2k5c n ASN 79 Ca 0.01 -0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 2k5c n ASN 79 Cb 0.65 1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 41.00 2k5c n ASN 79 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k5c n ASP 80 N -2.11 5.90 0.21 6.41 8.00 -0.53 -4.80 116.55 129.62 2k5c n ASP 80 Ca -0.00 -3.63 0.08 0.00 0.71 0.00 0.00 54.79 51.95 2k5c n ASP 80 Cb 0.49 -0.93 0.40 0.00 -0.02 0.00 0.00 41.12 41.06 2k5c n ASP 80 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2k5c h PHE 81 N 3.97 0.00 -3.30 1.24 0.04 -1.80 -3.44 116.94 113.65 2k5c h PHE 81 Ca 0.32 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.44 2k5c h PHE 81 Cb 0.46 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.44 2k5c h PHE 81 CO 1.06 0.29 -0.62 0.15 -0.60 0.00 0.00 178.31 178.60 2k5c s LYS 82 N -3.66 3.46 0.00 1.51 1.02 -1.26 -4.83 119.74 115.98 2k5c s LYS 82 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 2k5c s LYS 82 Cb 0.11 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2k5c s LYS 82 CO 0.66 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.95 2k5c n GLY 83 N 2.93 -1.01 2.49 -3.33 0.00 -1.26 -4.99 105.19 100.01 2k5c n GLY 83 Ca -0.18 0.37 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.47 3.16 -0.02 0.00 -1.26 -5.07 105.19 105.46 2k5c n GLY 84 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.30 2.27 -0.08 -0.61 1.09 -1.26 -3.26 121.20 116.05 2k5c s ILE 85 Ca 0.38 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 59.08 2k5c s ILE 85 Cb 0.38 -1.96 0.01 0.00 -1.06 0.00 0.00 42.46 39.83 2k5c s ILE 85 CO -0.06 0.52 -0.16 -1.81 -0.10 0.00 0.00 174.94 173.33 2k5c s ASP 86 N 1.23 2.24 0.07 3.58 1.01 -0.23 -5.01 116.67 119.56 2k5c s ASP 86 Ca 0.03 -0.39 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 2k5c s ASP 86 Cb -0.14 -1.03 -0.26 0.00 1.01 0.00 0.00 42.92 42.50 2k5c s ASP 86 CO -0.10 0.08 1.12 -0.50 0.21 0.00 0.00 175.17 175.98 2k5c h TRP 87 N 6.88 0.36 0.14 4.23 4.06 -1.98 -2.29 115.95 127.35 2k5c h TRP 87 Ca -0.27 -0.26 -0.30 0.00 2.06 0.00 0.00 58.89 60.12 2k5c h TRP 87 Cb 1.21 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2k5c h TRP 87 CO 0.48 1.22 -1.42 0.93 -3.56 0.00 0.00 178.44 176.09 2k5c h GLU 88 N 0.05 0.29 0.00 0.49 4.39 -1.99 -3.35 114.58 114.46 2k5c h GLU 88 Ca -0.12 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.09 2k5c h GLU 88 Cb 1.93 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2k5c h GLU 88 CO 0.18 1.19 -0.73 -0.97 -1.16 0.00 0.00 179.01 177.51 2k5c h ASN 89 N 0.08 0.00 -5.67 1.42 -1.24 -2.00 -3.49 115.58 104.68 2k5c h ASN 89 Ca -0.20 -0.14 -0.32 0.00 0.71 0.00 0.00 56.30 56.35 2k5c h ASN 89 Cb 2.01 0.00 0.16 0.00 0.73 0.00 0.00 38.32 41.23 2k5c h ASN 89 CO 0.19 0.07 -0.80 0.29 -1.29 0.00 0.00 177.43 175.89 2k5c n LYS 90 N -2.35 -5.36 -4.49 6.67 5.02 -0.89 -5.04 118.16 111.71 2k5c n LYS 90 Ca 0.02 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 56.82 2k5c n LYS 90 Cb 0.48 -5.75 -0.17 0.00 -0.02 0.00 0.00 35.03 29.58 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 -5.23 2.65 -0.13 1.97 0.52 -1.01 -4.97 118.95 112.75 2k5c s ARG 91 Ca 0.11 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2k5c s ARG 91 Cb -0.02 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.26 2k5c s ARG 91 CO 0.74 -0.07 -0.17 0.08 0.02 0.00 0.00 175.30 175.90 2k5c s VAL 92 N 0.98 1.71 -0.05 3.52 1.01 -1.26 -1.07 120.40 125.23 2k5c s VAL 92 Ca -0.05 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2k5c s VAL 92 Cb -0.15 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 2k5c s VAL 92 CO -0.03 0.48 -0.19 -0.54 0.00 0.00 0.00 175.10 174.82 2k5c s LYS 93 N 1.04 1.97 -0.14 2.72 1.02 -1.20 -4.78 119.74 120.37 2k5c s LYS 93 Ca -0.04 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2k5c s LYS 93 Cb -0.15 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2k5c s LYS 93 CO -0.04 0.25 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.98 2k5c s LEU 94 N 0.06 2.53 0.00 3.17 1.02 -1.26 -4.73 118.68 119.47 2k5c s LEU 94 Ca -0.05 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 53.71 2k5c s LEU 94 Cb -0.12 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.55 2k5c s LEU 94 CO 0.03 0.12 0.63 1.17 0.02 0.00 0.00 176.35 178.32