#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 3.17 -0.03 3.04 0.00 -0.64 -4.98 121.76 122.31 2k5c s ALA 9 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.18 2k5c s ALA 9 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2k5c s ALA 9 CO 0.00 0.59 -0.25 0.15 0.00 0.00 0.00 175.76 176.25 2k5c s LYS 10 N -0.92 2.17 0.10 0.00 1.02 -1.26 -0.55 119.74 120.29 2k5c s LYS 10 Ca 0.14 -0.88 -0.31 0.00 0.02 0.00 0.00 55.97 54.94 2k5c s LYS 10 Cb -0.11 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2k5c s LYS 10 CO 0.03 0.47 1.22 0.00 -0.92 0.00 0.00 175.35 176.15 2k5c n PRO 12 N 3.59 0.01 -0.10 0.00 -0.04 -1.26 -1.48 135.00 135.71 2k5c n PRO 12 Ca 0.08 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 2k5c n PRO 12 Cb 0.45 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.52 1.49 -0.11 0.52 5.41 -1.26 -4.83 119.36 119.05 2k5c n ILE 13 Ca 0.05 0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.63 2k5c n ILE 13 Cb 0.24 -2.19 -0.10 0.00 -0.71 0.00 0.00 39.64 36.88 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 2.27 0.99 3.83 0.00 0.00 -0.55 -5.00 105.19 106.73 2k5c n GLY 15 Ca -0.41 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.58 6.96 0.08 1.61 0.15 -1.26 -4.73 113.70 113.93 2k5c s SER 16 Ca 0.00 1.24 -0.31 0.00 0.70 0.00 0.00 55.95 57.58 2k5c s SER 16 Cb 0.00 -2.35 -0.08 0.00 -1.71 0.00 0.00 66.02 61.88 2k5c s SER 16 CO 0.00 0.11 1.54 -2.16 1.20 0.00 0.00 173.24 173.93 2k5c s PRO 17 N -1.80 4.24 0.05 5.44 0.04 -1.26 -3.44 135.00 138.27 2k5c s PRO 17 Ca 0.38 2.22 0.08 0.00 0.04 0.00 0.00 61.00 63.72 2k5c s PRO 17 Cb -0.17 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 2k5c s PRO 17 CO 0.20 -0.62 -0.23 -0.51 0.04 0.00 0.00 177.00 175.88 2k5c s LEU 18 N 2.01 2.18 -0.13 -3.56 1.43 0.28 -5.02 118.68 115.86 2k5c s LEU 18 Ca 0.69 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2k5c s LEU 18 Cb -0.38 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2k5c s LEU 18 CO 0.30 0.19 0.40 -0.54 0.23 0.00 0.00 176.35 176.94 2k5c s LYS 19 N -1.25 4.29 0.42 1.70 1.02 -1.26 -1.62 119.74 123.04 2k5c s LYS 19 Ca 0.09 0.31 0.19 0.00 0.02 0.00 0.00 55.97 56.57 2k5c s LYS 19 Cb -0.09 -3.43 0.92 0.00 -0.52 0.00 0.00 37.83 34.71 2k5c s LYS 19 CO 0.02 0.21 1.87 -1.49 -0.92 0.00 0.00 175.35 175.04 2k5c h TRP 20 N 6.64 0.00 -0.07 3.18 4.06 -1.95 -3.06 115.95 124.75 2k5c h TRP 20 Ca -0.41 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.38 2k5c h TRP 20 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 2k5c h TRP 20 CO 0.62 0.30 -0.65 1.05 -3.56 0.00 0.00 178.44 176.19 2k5c h GLU 21 N 0.00 0.29 -0.03 0.49 4.11 -1.94 -3.28 114.58 114.21 2k5c h GLU 21 Ca -0.00 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 59.05 2k5c h GLU 21 Cb 0.63 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k5c h GLU 21 CO 0.04 0.84 -0.72 0.93 0.07 0.00 0.00 179.01 180.17 2k5c h GLU 22 N 0.21 0.21 -0.38 1.06 5.08 -1.84 -3.09 114.58 115.83 2k5c h GLU 22 Ca -0.01 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 2k5c h GLU 22 Cb 1.19 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k5c h GLU 22 CO 0.10 0.84 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.62 2k5c h LEU 23 N 0.14 0.80 -0.32 1.33 3.38 -1.63 -3.11 115.31 115.89 2k5c h LEU 23 Ca -0.02 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 2k5c h LEU 23 Cb 1.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2k5c h LEU 23 CO 0.11 1.02 -0.69 0.40 0.09 0.00 0.00 178.44 179.37 2k5c h ILE 24 N 0.67 1.31 -0.14 1.22 1.08 -1.64 -3.18 117.51 116.83 2k5c h ILE 24 Ca 0.08 -2.54 -0.14 0.00 -0.39 0.00 0.00 64.86 61.88 2k5c h ILE 24 Cb 0.79 2.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 2k5c h ILE 24 CO 0.06 0.68 -0.52 -0.08 -0.69 0.00 0.00 178.15 177.61 2k5c h GLU 25 N 0.00 0.39 0.00 2.37 4.81 -1.53 -2.75 114.58 117.88 2k5c h GLU 25 Ca -0.01 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2k5c h GLU 25 Cb 1.39 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2k5c h GLU 25 CO 0.09 0.82 -0.37 0.93 -0.73 0.00 0.00 179.01 179.75 2k5c h GLU 26 N 0.31 0.00 -0.52 1.92 5.08 -1.63 -3.32 114.58 116.42 2k5c h GLU 26 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k5c h GLU 26 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2k5c h GLU 26 CO 0.09 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 177.03 2k5c n MET 27 N -3.13 3.41 -0.85 2.33 2.81 -1.20 -4.58 117.12 115.91 2k5c n MET 27 Ca 0.02 -2.71 -0.07 0.00 -1.81 0.00 0.00 57.70 53.14 2k5c n MET 27 Cb 0.65 -1.75 0.24 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.70 5.39 -0.90 4.03 7.94 -1.04 -4.21 117.00 128.91 2k5c n LEU 28 Ca 0.22 -2.80 0.12 0.00 -1.11 0.00 0.00 56.01 52.44 2k5c n LEU 28 Cb 0.79 -0.71 0.17 0.00 0.53 0.00 0.00 43.42 44.20 2k5c n LEU 28 CO 0.19 0.74 0.67 -0.38 -1.11 0.00 0.00 177.39 177.50 2k5c n ILE 29 N -0.15 0.03 -4.22 1.96 -0.00 -1.26 -4.95 119.36 110.76 2k5c n ILE 29 Ca 0.35 -0.48 -0.35 0.00 -0.00 0.00 0.00 62.75 62.27 2k5c n ILE 29 Cb 1.22 1.33 -0.08 0.00 -0.00 0.00 0.00 39.64 42.11 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2k5c s ILE 30 N -1.97 4.65 -0.52 1.39 1.01 -1.26 -5.04 121.20 119.46 2k5c s ILE 30 Ca 0.30 -0.16 0.24 0.00 0.00 0.00 0.00 60.65 61.03 2k5c s ILE 30 Cb 0.20 -3.00 0.31 0.00 0.01 0.00 0.00 42.46 39.99 2k5c s ILE 30 CO 0.31 0.58 1.64 -0.33 0.00 0.00 0.00 174.94 177.13 2k5c h GLU 31 N 4.98 0.00 0.00 2.79 5.08 -1.96 -3.25 114.58 122.22 2k5c h GLU 31 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 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 0.56 0.00 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.56 2k5c h ASN 32 N 0.00 0.00 -0.59 1.42 2.35 -2.00 -3.35 115.58 113.41 2k5c h ASN 32 Ca 0.00 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2k5c h ASN 32 Cb 0.92 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 2k5c h ASN 32 CO 0.00 0.00 0.39 0.15 -1.65 0.00 0.00 177.43 176.33 2k5c h PHE 33 N 0.00 0.71 0.00 1.19 3.04 -1.93 -1.83 116.94 118.12 2k5c h PHE 33 Ca 0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2k5c h PHE 33 Cb 0.93 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.20 2k5c h PHE 33 CO 0.00 0.43 -0.02 0.93 -2.02 0.00 0.00 178.31 177.64 2k5c h GLU 34 N 0.75 0.00 0.06 1.11 5.08 -1.79 -0.58 114.58 119.21 2k5c h GLU 34 Ca 0.23 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.29 2k5c h GLU 34 Cb -0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2k5c h GLU 34 CO -0.06 0.02 -1.59 0.93 -1.00 0.00 0.00 179.01 177.31 2k5c h GLU 35 N 0.00 0.12 -0.26 2.33 5.08 -1.62 -3.39 114.58 116.84 2k5c h GLU 35 Ca -0.00 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.96 2k5c h GLU 35 Cb 0.03 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k5c h GLU 35 CO 0.00 0.88 -0.59 0.82 -1.00 0.00 0.00 179.01 179.12 2k5c h ILE 36 N 0.03 1.28 0.00 3.13 2.04 -1.04 -3.29 117.51 119.66 2k5c h ILE 36 Ca -0.25 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 2k5c h ILE 36 Cb 1.98 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 2k5c h ILE 36 CO 0.12 0.58 -0.00 -0.37 0.00 0.00 0.00 178.15 178.47 2k5c h VAL 37 N 0.64 0.08 0.00 1.67 -1.51 -1.30 -2.04 116.25 113.79 2k5c h VAL 37 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2k5c h VAL 37 Cb 1.19 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2k5c h VAL 37 CO 0.13 0.00 -0.93 0.11 -1.23 0.00 0.00 177.57 175.65 2k5c h LYS 38 N 0.00 0.00 -4.35 5.19 1.57 -1.76 -3.46 116.57 113.76 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 0.01 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 31.94 2k5c h LYS 38 CO 0.00 0.00 -0.78 -0.51 -0.57 0.00 0.00 179.45 177.59 2k5c s ASP 39 N -5.10 3.90 0.41 0.86 1.01 -0.76 -5.02 116.67 111.97 2k5c s ASP 39 Ca 0.01 -1.23 0.08 0.00 0.71 0.00 0.00 52.55 52.12 2k5c s ASP 39 Cb 0.10 -1.19 0.88 0.00 1.01 0.00 0.00 42.92 43.72 2k5c s ASP 39 CO 0.78 -0.25 2.05 0.03 0.21 0.00 0.00 175.17 177.99 2k5c h ARG 40 N 7.94 0.53 -0.03 8.23 -0.00 -1.88 -2.21 114.38 126.96 2k5c h ARG 40 Ca -0.17 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.98 59.20 2k5c h ARG 40 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.91 2k5c h ARG 40 CO 0.42 0.35 -0.33 1.49 0.00 0.00 0.00 179.97 181.90 2k5c h GLU 41 N 0.54 0.06 0.08 0.04 4.81 -1.95 -1.63 114.58 116.53 2k5c h GLU 41 Ca 0.17 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.11 2k5c h GLU 41 Cb 0.03 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k5c h GLU 41 CO -0.04 0.39 -1.31 0.00 -0.73 0.00 0.00 179.01 177.31 2k5c h ARG 42 N 0.05 0.17 -0.11 1.92 3.08 -1.79 -3.23 114.38 114.47 2k5c h ARG 42 Ca 0.00 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.62 2k5c h ARG 42 Cb 0.62 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.78 2k5c h ARG 42 CO 0.05 1.07 -0.46 0.35 -1.07 0.00 0.00 179.97 179.91 2k5c h PHE 43 N 0.05 0.68 -0.04 3.04 3.04 -1.27 -2.10 116.94 120.33 2k5c h PHE 43 Ca -0.15 -0.29 -0.10 0.00 3.98 0.00 0.00 57.97 61.42 2k5c h PHE 43 Cb 1.94 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 40.33 2k5c h PHE 43 CO 0.04 1.06 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.90 2k5c h LEU 44 N 0.11 0.10 -0.02 0.59 3.38 -1.48 -2.28 115.31 115.70 2k5c h LEU 44 Ca -0.03 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2k5c h LEU 44 Cb 1.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k5c h LEU 44 CO 0.10 0.51 -0.65 0.00 0.09 0.00 0.00 178.44 178.48 2k5c h ALA 45 N 1.50 0.59 0.19 1.53 0.00 -1.62 -3.06 119.26 118.39 2k5c h ALA 45 Ca 0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 54.91 54.01 2k5c h ALA 45 Cb 0.77 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k5c h ALA 45 CO 0.06 0.81 -1.37 1.96 0.00 0.00 0.00 179.25 180.71 2k5c h GLN 46 N 0.00 0.51 -0.28 0.00 1.08 -1.24 -3.11 115.11 112.06 2k5c h GLN 46 Ca -0.01 -0.81 -0.19 0.00 -1.45 0.00 0.00 58.65 56.20 2k5c h GLN 46 Cb 1.49 0.29 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 2k5c h GLN 46 CO 0.08 1.38 -0.57 0.28 -0.95 0.00 0.00 178.83 179.06 2k5c h VAL 47 N 0.17 1.27 0.00 -0.54 2.07 -1.54 -1.64 116.25 116.04 2k5c h VAL 47 Ca -0.21 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 2k5c h VAL 47 Cb 2.06 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 2k5c h VAL 47 CO 0.25 0.57 -0.24 -0.33 0.02 0.00 0.00 177.57 177.84 2k5c h GLU 48 N 0.67 0.00 0.00 1.57 5.08 -1.68 -2.93 114.58 117.29 2k5c h GLU 48 Ca 0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 2k5c h GLU 48 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2k5c h GLU 48 CO 0.13 0.24 -1.84 0.39 -1.00 0.00 0.00 179.01 176.93 2k5c n GLU 49 N -3.54 0.65 -3.62 2.33 -0.58 -1.18 -3.55 120.64 111.16 2k5c n GLU 49 Ca -0.01 0.09 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 2k5c n GLU 49 Cb 0.39 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 2k5c n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2k5c s PHE 50 N -2.85 3.61 0.15 -0.32 0.08 -0.62 -5.00 117.98 113.03 2k5c s PHE 50 Ca -0.06 0.77 -0.00 0.00 0.12 0.00 0.00 56.93 57.75 2k5c s PHE 50 Cb 0.09 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2k5c s PHE 50 CO 0.83 0.57 0.31 0.54 -0.10 0.00 0.00 175.22 177.38 2k5c s VAL 51 N -1.30 5.28 0.04 -0.44 0.11 -1.26 -3.44 120.40 119.38 2k5c s VAL 51 Ca 0.29 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2k5c s VAL 51 Cb -0.14 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2k5c s VAL 51 CO 0.16 -0.05 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.38 2k5c s PHE 52 N -1.72 1.22 -0.07 1.54 0.08 0.30 -4.98 117.98 114.35 2k5c s PHE 52 Ca 0.37 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.03 2k5c s PHE 52 Cb -0.12 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2k5c s PHE 52 CO 0.28 0.03 0.08 0.21 -0.10 0.00 0.00 175.22 175.72 2k5c s LYS 53 N -1.12 3.19 -0.11 0.44 2.20 -1.26 -0.32 119.74 122.76 2k5c s LYS 53 Ca 0.01 -0.32 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 2k5c s LYS 53 Cb -0.08 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 2k5c s LYS 53 CO 0.01 0.72 0.58 0.00 -0.36 0.00 0.00 175.35 176.29 2k5c n PRO 55 N 3.93 0.04 -0.13 0.00 -0.04 -1.26 -1.60 135.00 135.94 2k5c n PRO 55 Ca -0.04 0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 2k5c n PRO 55 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k5c n VAL 56 N -1.47 1.53 -0.09 0.52 0.31 -1.26 -4.81 118.33 113.05 2k5c n VAL 56 Ca 0.06 -0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 63.93 2k5c n VAL 56 Cb 0.23 -1.95 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 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 1.50 0.49 3.86 0.00 0.00 -0.63 -5.04 105.19 105.37 2k5c n GLY 58 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.74 3.89 -0.00 1.61 2.02 -1.26 -4.70 118.70 119.52 2k5c s GLU 59 Ca 0.00 0.59 -0.18 0.00 0.02 0.00 0.00 54.97 55.40 2k5c s GLU 59 Cb 0.00 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.78 2k5c s GLU 59 CO 0.00 0.04 0.52 -1.21 0.02 0.00 0.00 175.26 174.63 2k5c s GLU 60 N -3.45 4.18 0.03 1.61 2.02 -1.26 -2.78 118.70 119.04 2k5c s GLU 60 Ca 0.53 0.60 0.06 0.00 0.02 0.00 0.00 54.97 56.18 2k5c s GLU 60 Cb -0.10 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2k5c s GLU 60 CO 0.25 0.50 -0.18 -0.59 0.02 0.00 0.00 175.26 175.26 2k5c s PHE 61 N -0.56 1.55 0.16 1.61 -0.71 0.56 -4.96 117.98 115.63 2k5c s PHE 61 Ca 0.27 -0.34 -0.03 0.00 -1.04 0.00 0.00 56.93 55.80 2k5c s PHE 61 Cb -0.18 -0.94 -0.05 0.00 -1.21 0.00 0.00 43.02 40.64 2k5c s PHE 61 CO 0.15 0.04 0.37 0.71 -1.34 0.00 0.00 175.22 175.16 2k5c s TYR 62 N -0.70 3.48 -1.12 3.49 2.02 -1.26 -0.54 117.35 122.73 2k5c s TYR 62 Ca 0.05 0.44 0.21 0.00 -0.37 0.00 0.00 57.07 57.41 2k5c s TYR 62 Cb -0.08 -1.92 0.95 0.00 -0.40 0.00 0.00 41.96 40.50 2k5c s TYR 62 CO 0.01 0.42 1.68 0.41 -1.57 0.00 0.00 175.55 176.50 2k5c n GLY 63 N -0.21 -1.16 0.14 0.71 0.00 -1.11 -2.92 105.19 100.65 2k5c n GLY 63 Ca -0.03 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.33 1.61 3.64 -1.77 -3.33 116.57 116.39 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 -2.85 0.42 -2.73 1.00 -2.24 -1.15 -5.00 114.28 101.74 2k5c n THR 65 Ca 0.00 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 2k5c n THR 65 Cb 0.59 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 2k5c n THR 65 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2k5c s LEU 66 N -1.45 3.85 0.57 3.22 2.96 -1.25 -5.04 118.68 121.53 2k5c s LEU 66 Ca 0.36 1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 55.63 2k5c s LEU 66 Cb 0.20 -4.44 -0.04 0.00 0.50 0.00 0.00 46.19 42.41 2k5c s LEU 66 CO 0.29 -0.41 1.30 -2.84 -1.32 0.00 0.00 176.35 173.36 2k5c s PRO 67 N -3.48 3.05 0.52 0.98 0.02 -1.26 -4.95 135.00 129.89 2k5c s PRO 67 Ca 0.59 2.09 0.35 0.00 0.02 0.00 0.00 61.00 64.05 2k5c s PRO 67 Cb -0.10 -2.13 1.74 0.00 0.02 0.00 0.00 34.50 34.03 2k5c s PRO 67 CO 0.20 -1.21 2.06 0.00 -0.33 0.00 0.00 177.00 177.72 2k5c h ARG 68 N 1.24 0.00 0.00 5.54 3.08 -2.00 -2.70 114.38 119.54 2k5c h ARG 68 Ca -0.51 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.31 2k5c h ARG 68 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 2k5c h ARG 68 CO 0.56 0.00 -1.19 0.00 -1.07 0.00 0.00 179.97 178.27 2k5c h ARG 69 N 0.00 0.00 0.00 0.04 3.08 -2.02 -3.33 114.38 112.15 2k5c h ARG 69 Ca 0.00 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2k5c h ARG 69 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2k5c h ARG 69 CO 0.00 0.87 -0.58 0.93 -1.07 0.00 0.00 179.97 180.11 2k5c h GLU 70 N 0.00 0.00 -0.15 0.04 5.08 -1.86 -3.26 114.58 114.44 2k5c h GLU 70 Ca -0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2k5c h GLU 70 Cb 1.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2k5c h GLU 70 CO 0.12 0.58 -0.19 0.00 -1.00 0.00 0.00 179.01 178.52 2k5c h ALA 71 N 1.42 1.40 0.00 3.43 0.00 -1.66 -2.78 119.26 121.07 2k5c h ALA 71 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2k5c h ALA 71 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k5c h ALA 71 CO 0.08 0.41 -0.46 0.93 0.00 0.00 0.00 179.25 180.21 2k5c h GLU 72 N 0.23 0.00 0.00 0.00 5.08 -1.69 -3.21 114.58 114.98 2k5c h GLU 72 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2k5c h GLU 72 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k5c h GLU 72 CO 0.03 0.46 -0.45 0.87 -1.00 0.00 0.00 179.01 178.92 2k5c h LYS 73 N 0.00 0.00 -0.54 2.33 1.57 -1.56 -3.27 116.57 115.10 2k5c h LYS 73 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2k5c h LYS 73 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2k5c h LYS 73 CO 0.06 0.45 0.09 0.28 -0.57 0.00 0.00 179.45 179.76 2k5c h VAL 74 N 0.00 1.24 0.00 0.50 2.07 -1.53 -2.93 116.25 115.59 2k5c h VAL 74 Ca -0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2k5c h VAL 74 Cb 1.00 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2k5c h VAL 74 CO 0.06 0.33 -0.04 -0.26 0.02 0.00 0.00 177.57 177.68 2k5c h PHE 75 N 0.82 0.00 -0.44 1.57 0.04 -1.70 -3.17 116.94 114.05 2k5c h PHE 75 Ca 0.17 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 2k5c h PHE 75 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2k5c h PHE 75 CO 0.02 0.04 -0.18 1.49 -0.60 0.00 0.00 178.31 179.08 2k5c h GLU 76 N 0.00 0.90 -0.13 1.51 4.81 -1.68 -0.70 114.58 119.29 2k5c h GLU 76 Ca -0.00 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 58.69 2k5c h GLU 76 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2k5c h GLU 76 CO 0.01 1.03 -0.58 1.37 -0.73 0.00 0.00 179.01 180.10 2k5c h LEU 77 N 0.73 0.46 0.00 1.64 8.10 -1.65 -2.99 115.31 121.60 2k5c h LEU 77 Ca 0.10 -0.26 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 2k5c h LEU 77 Cb 0.75 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 2k5c h LEU 77 CO 0.06 0.94 -0.33 -0.07 -4.11 0.00 0.00 178.44 174.93 2k5c h LEU 78 N 0.31 0.00 0.00 0.17 3.38 -1.56 -3.31 115.31 114.31 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 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k5c h LEU 78 CO 0.10 0.21 -0.43 0.78 0.09 0.00 0.00 178.44 179.20 2k5c h ASN 79 N 0.00 0.00 -0.27 -0.43 4.21 -1.12 -3.35 115.58 114.62 2k5c h ASN 79 Ca -0.01 -0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.29 2k5c h ASN 79 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 2k5c h ASN 79 CO 0.03 0.07 -0.08 0.44 -1.29 0.00 0.00 177.43 176.59 2k5c h ASP 80 N 0.00 0.64 0.00 5.81 3.32 -1.61 -3.47 116.42 121.11 2k5c h ASP 80 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2k5c h ASP 80 Cb 0.76 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2k5c h ASP 80 CO 0.00 0.76 0.00 0.49 -1.72 0.00 0.00 179.24 178.77 2k5c n PHE 81 N -4.20 0.00 -4.54 4.55 3.01 -1.26 -4.56 117.46 110.47 2k5c n PHE 81 Ca 0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.26 2k5c n PHE 81 Cb 0.32 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.13 0.00 -1.08 1.02 -1.26 -5.02 119.74 114.53 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 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2k5c s LYS 82 CO 0.00 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 2k5c n GLY 83 N 3.06 -1.16 2.47 -3.33 0.00 -1.26 -5.02 105.19 99.95 2k5c n GLY 83 Ca -0.16 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 5.95 3.16 -0.02 0.00 -1.26 -4.99 105.19 108.03 2k5c n GLY 84 Ca 0.00 -2.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.08 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 -5.11 2.15 -0.09 -0.61 1.09 -1.26 -3.55 121.20 113.82 2k5c s ILE 85 Ca 0.52 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 59.18 2k5c s ILE 85 Cb 0.43 -1.89 0.00 0.00 -1.06 0.00 0.00 42.46 39.94 2k5c s ILE 85 CO -0.17 0.54 -0.21 -1.81 -0.10 0.00 0.00 174.94 173.18 2k5c s ASP 86 N 1.08 2.78 0.14 3.58 1.01 -0.83 -5.00 116.67 119.44 2k5c s ASP 86 Ca -0.00 -0.50 0.09 0.00 0.71 0.00 0.00 52.55 52.85 2k5c s ASP 86 Cb -0.14 -1.27 -0.15 0.00 1.01 0.00 0.00 42.92 42.36 2k5c s ASP 86 CO -0.07 0.13 1.27 -0.50 0.21 0.00 0.00 175.17 176.21 2k5c h TRP 87 N 6.78 0.00 0.16 4.23 4.06 -1.98 -1.71 115.95 127.49 2k5c h TRP 87 Ca -0.22 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.42 2k5c h TRP 87 Cb 1.23 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.40 2k5c h TRP 87 CO 0.47 0.89 -1.47 0.93 -3.56 0.00 0.00 178.44 175.70 2k5c h GLU 88 N 0.00 0.34 0.00 0.49 5.08 -1.99 -3.36 114.58 115.13 2k5c h GLU 88 Ca -0.03 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2k5c h GLU 88 Cb 1.70 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2k5c h GLU 88 CO 0.11 1.24 -1.14 0.09 -1.00 0.00 0.00 179.01 178.31 2k5c n ASN 89 N -3.55 0.62 -3.32 1.42 3.02 -1.26 -5.04 115.26 107.15 2k5c n ASN 89 Ca -0.15 0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.33 2k5c n ASN 89 Cb 1.06 0.78 0.05 0.00 -0.61 0.00 0.00 39.78 41.06 2k5c n ASN 89 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k5c n LYS 90 N -2.35 -1.86 -4.74 3.52 5.02 -0.67 -5.05 118.16 112.03 2k5c n LYS 90 Ca 0.00 0.88 -0.28 0.00 -2.02 0.00 0.00 58.31 56.90 2k5c n LYS 90 Cb 0.51 -5.38 -0.17 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.51 2.19 -0.09 1.97 0.52 -1.05 -4.97 118.95 113.01 2k5c s ARG 91 Ca 0.38 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 2k5c s ARG 91 Cb -0.07 -1.76 0.01 0.00 0.52 0.00 0.00 34.95 33.64 2k5c s ARG 91 CO 0.77 0.05 -0.19 0.08 0.02 0.00 0.00 175.30 176.03 2k5c s VAL 92 N 0.64 1.69 -0.05 3.52 1.01 -1.26 -1.96 120.40 124.00 2k5c s VAL 92 Ca -0.14 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2k5c s VAL 92 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2k5c s VAL 92 CO 0.04 0.48 -0.19 -0.54 0.00 0.00 0.00 175.10 174.88 2k5c s LYS 93 N 0.56 2.01 -0.13 2.72 1.02 -1.23 -4.78 119.74 119.90 2k5c s LYS 93 Ca -0.15 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.15 2k5c s LYS 93 Cb -0.17 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2k5c s LYS 93 CO 0.05 0.28 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.11 2k5c s LEU 94 N -0.02 2.56 0.00 3.17 1.02 -1.26 -4.82 118.68 119.33 2k5c s LEU 94 Ca -0.04 -0.40 0.12 0.00 0.02 0.00 0.00 54.13 53.84 2k5c s LEU 94 Cb -0.12 -1.57 0.10 0.00 0.02 0.00 0.00 46.19 44.62 2k5c s LEU 94 CO 0.03 0.14 0.89 0.29 0.02 0.00 0.00 176.35 177.72