#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 2.84 -0.05 -5.12 0.00 -1.14 -5.00 121.76 113.30 2k5c s ALA 9 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2k5c s ALA 9 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2k5c s ALA 9 CO 0.00 0.56 -0.16 0.15 0.00 0.00 0.00 175.76 176.31 2k5c s LYS 10 N -0.75 2.54 -0.17 0.00 1.02 -1.26 -0.54 119.74 120.58 2k5c s LYS 10 Ca 0.12 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 2k5c s LYS 10 Cb -0.11 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2k5c s LYS 10 CO 0.01 0.56 1.30 0.00 -0.92 0.00 0.00 175.35 176.30 2k5c h PRO 12 N 8.39 0.00 0.16 0.00 0.11 -1.98 -0.62 132.00 138.06 2k5c h PRO 12 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2k5c h PRO 12 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2k5c h PRO 12 CO 0.97 0.16 -0.08 0.82 -0.21 0.00 0.00 178.00 179.66 2k5c h ILE 13 N 0.00 0.87 0.00 4.15 5.03 -1.97 -3.43 117.51 122.17 2k5c h ILE 13 Ca -0.00 -1.10 -0.24 0.00 -0.12 0.00 0.00 64.86 63.40 2k5c h ILE 13 Cb 0.43 1.45 -0.04 0.00 -3.03 0.00 0.00 36.82 35.63 2k5c h ILE 13 CO 0.02 0.22 -1.86 0.00 -0.68 0.00 0.00 178.15 175.85 2k5c n GLY 15 N 2.45 1.76 3.88 0.00 0.00 -0.24 -5.04 105.19 108.00 2k5c n GLY 15 Ca -0.28 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.05 6.54 0.30 1.61 0.15 -1.26 -4.80 113.70 114.20 2k5c s SER 16 Ca 0.00 0.64 -0.29 0.00 0.70 0.00 0.00 55.95 57.00 2k5c s SER 16 Cb 0.00 -2.12 -0.10 0.00 -1.71 0.00 0.00 66.02 62.09 2k5c s SER 16 CO 0.00 0.16 1.25 -2.84 1.20 0.00 0.00 173.24 173.02 2k5c s PRO 17 N -2.09 4.44 0.03 5.44 0.02 -1.26 -3.02 135.00 138.55 2k5c s PRO 17 Ca 0.34 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.53 2k5c s PRO 17 Cb -0.13 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 2k5c s PRO 17 CO 0.20 -0.09 -0.24 -0.51 -0.33 0.00 0.00 177.00 176.02 2k5c s LEU 18 N -1.51 2.14 -0.12 -5.54 1.43 0.29 -5.01 118.68 110.37 2k5c s LEU 18 Ca 0.49 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2k5c s LEU 18 Cb -0.37 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2k5c s LEU 18 CO 0.48 0.24 0.27 -0.54 0.23 0.00 0.00 176.35 177.03 2k5c s LYS 19 N -1.07 3.98 0.42 1.70 1.02 -1.26 -2.86 119.74 121.65 2k5c s LYS 19 Ca 0.10 0.09 0.19 0.00 0.02 0.00 0.00 55.97 56.37 2k5c s LYS 19 Cb -0.09 -3.32 0.91 0.00 -0.52 0.00 0.00 37.83 34.81 2k5c s LYS 19 CO 0.01 0.48 1.86 -1.49 -0.92 0.00 0.00 175.35 175.29 2k5c h TRP 20 N 5.82 0.00 -0.06 3.18 4.06 -1.98 -3.04 115.95 123.93 2k5c h TRP 20 Ca -0.47 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.34 2k5c h TRP 20 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 2k5c h TRP 20 CO 0.66 0.30 -0.59 1.05 -3.56 0.00 0.00 178.44 176.30 2k5c h GLU 21 N 0.00 0.20 -0.08 0.49 4.11 -1.95 -3.24 114.58 114.12 2k5c h GLU 21 Ca -0.00 -0.13 -0.17 0.00 0.07 0.00 0.00 59.36 59.12 2k5c h GLU 21 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2k5c h GLU 21 CO 0.04 0.73 -0.69 0.93 0.07 0.00 0.00 179.01 180.09 2k5c h GLU 22 N 0.15 0.35 -0.51 1.06 4.39 -1.93 -2.32 114.58 115.77 2k5c h GLU 22 Ca -0.00 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 2k5c h GLU 22 Cb 1.08 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2k5c h GLU 22 CO 0.09 0.91 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.61 2k5c h LEU 23 N 0.24 1.03 0.17 1.33 3.38 -1.62 -2.35 115.31 117.50 2k5c h LEU 23 Ca -0.02 -0.37 -0.29 0.00 0.09 0.00 0.00 57.88 57.29 2k5c h LEU 23 Cb 1.25 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 41.75 2k5c h LEU 23 CO 0.12 1.17 -1.24 0.40 0.09 0.00 0.00 178.44 178.98 2k5c h ILE 24 N 0.89 1.32 -0.48 1.22 1.08 -1.64 -3.04 117.51 116.87 2k5c h ILE 24 Ca 0.13 -2.54 -0.10 0.00 -0.39 0.00 0.00 64.86 61.95 2k5c h ILE 24 Cb 0.74 2.91 -0.02 0.00 -3.07 0.00 0.00 36.82 37.39 2k5c h ILE 24 CO 0.06 0.76 -0.11 -0.08 -0.69 0.00 0.00 178.15 178.09 2k5c h GLU 25 N 0.10 0.87 0.00 2.37 4.81 -1.50 -2.05 114.58 119.18 2k5c h GLU 25 Ca -0.20 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2k5c h GLU 25 Cb 1.95 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 2k5c h GLU 25 CO 0.24 0.94 -0.08 0.93 -0.73 0.00 0.00 179.01 180.30 2k5c h GLU 26 N 0.78 0.00 -0.50 1.92 5.08 -1.57 -3.29 114.58 117.01 2k5c h GLU 26 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2k5c h GLU 26 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k5c h GLU 26 CO 0.04 0.08 0.00 -1.33 -1.00 0.00 0.00 179.01 176.81 2k5c n MET 27 N -3.13 3.04 -0.55 2.33 2.81 -1.15 -4.53 117.12 115.94 2k5c n MET 27 Ca 0.03 -2.48 0.06 0.00 -1.81 0.00 0.00 57.70 53.49 2k5c n MET 27 Cb 0.53 -1.55 0.27 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 0.80 3.97 -0.87 4.03 7.94 -0.78 -4.25 117.00 127.84 2k5c n LEU 28 Ca 0.19 -2.01 0.07 0.00 -1.11 0.00 0.00 56.01 53.15 2k5c n LEU 28 Cb 0.63 -0.57 0.20 0.00 0.53 0.00 0.00 43.42 44.21 2k5c n LEU 28 CO 0.14 0.55 0.66 2.30 -1.11 0.00 0.00 177.39 179.93 2k5c n ILE 29 N 0.55 0.70 -4.95 1.96 -6.64 -1.26 -4.90 119.36 104.82 2k5c n ILE 29 Ca 0.19 -0.61 -0.32 0.00 -1.77 0.00 0.00 62.75 60.23 2k5c n ILE 29 Cb 0.81 0.23 -0.14 0.00 -1.44 0.00 0.00 39.64 39.10 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 2k5c s ILE 30 N -1.47 2.88 -0.47 7.28 1.01 -1.26 -5.04 121.20 124.12 2k5c s ILE 30 Ca 0.30 -0.78 0.24 0.00 0.00 0.00 0.00 60.65 60.40 2k5c s ILE 30 Cb 0.16 -2.12 0.14 0.00 0.01 0.00 0.00 42.46 40.66 2k5c s ILE 30 CO 0.19 0.58 1.37 -0.33 0.00 0.00 0.00 174.94 176.75 2k5c h GLU 31 N 5.59 0.00 -0.58 2.79 5.08 -1.96 -3.31 114.58 122.19 2k5c h GLU 31 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2k5c h GLU 31 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k5c h GLU 31 CO 0.50 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.60 2k5c n ASN 32 N -2.57 3.03 0.07 1.42 3.02 -1.26 -4.30 115.26 114.67 2k5c n ASN 32 Ca 0.03 -2.25 -0.14 0.00 -0.03 0.00 0.00 54.58 52.19 2k5c n ASN 32 Cb 0.50 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 2k5c n ASN 32 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2k5c h PHE 33 N 2.52 0.65 -0.08 3.10 3.57 -1.96 -3.26 116.94 121.48 2k5c h PHE 33 Ca 0.00 -0.36 0.02 0.00 3.53 0.00 0.00 57.97 61.16 2k5c h PHE 33 Cb 0.95 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k5c h PHE 33 CO 0.46 1.19 0.13 0.93 -2.23 0.00 0.00 178.31 178.79 2k5c h GLU 34 N 0.24 0.00 0.13 1.11 5.08 -1.87 0.10 114.58 119.37 2k5c h GLU 34 Ca -0.09 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.01 2k5c h GLU 34 Cb 1.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.87 2k5c h GLU 34 CO 0.17 0.00 -1.27 0.93 -1.00 0.00 0.00 179.01 177.84 2k5c h GLU 35 N 0.00 0.28 -0.17 2.33 5.08 -1.88 -3.32 114.58 116.89 2k5c h GLU 35 Ca 0.04 -0.47 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 2k5c h GLU 35 Cb 0.30 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k5c h GLU 35 CO -0.00 1.23 -0.51 0.82 -1.00 0.00 0.00 179.01 179.55 2k5c h ILE 36 N -0.29 1.33 0.00 3.13 2.04 -1.56 -3.29 117.51 118.87 2k5c h ILE 36 Ca -0.26 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2k5c h ILE 36 Cb 1.76 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2k5c h ILE 36 CO 0.10 0.54 0.00 0.55 0.00 0.00 0.00 178.15 179.34 2k5c n VAL 37 N -4.17 0.92 0.05 1.67 3.14 0.32 -2.52 118.33 117.75 2k5c n VAL 37 Ca -0.07 0.34 0.07 0.00 -2.96 0.00 0.00 64.34 61.72 2k5c n VAL 37 Cb 0.60 -1.27 -0.06 0.00 -1.06 0.00 0.00 33.84 32.06 2k5c n VAL 37 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2k5c n LYS 38 N -2.15 0.62 -3.98 1.45 5.02 -1.24 -4.76 118.16 113.13 2k5c n LYS 38 Ca 0.01 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 2k5c n LYS 38 Cb 0.18 -1.76 -0.15 0.00 -0.02 0.00 0.00 35.03 33.28 2k5c n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k5c s ASP 39 N -5.37 4.28 0.42 4.39 1.01 -1.05 -5.02 116.67 115.34 2k5c s ASP 39 Ca -0.03 -1.54 0.10 0.00 0.71 0.00 0.00 52.55 51.79 2k5c s ASP 39 Cb 0.10 -1.38 0.94 0.00 1.01 0.00 0.00 42.92 43.60 2k5c s ASP 39 CO 0.82 -0.28 2.02 0.08 0.21 0.00 0.00 175.17 178.02 2k5c h ARG 40 N 7.82 0.47 -0.17 8.23 0.11 -1.88 -1.53 114.38 127.43 2k5c h ARG 40 Ca -0.14 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.82 2k5c h ARG 40 Cb 1.04 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 2k5c h ARG 40 CO 0.46 0.31 -0.28 1.49 0.10 0.00 0.00 179.97 182.05 2k5c h GLU 41 N 0.48 0.32 0.10 0.08 4.81 -1.95 -1.22 114.58 117.21 2k5c h GLU 41 Ca 0.22 -0.12 -0.28 0.00 -0.13 0.00 0.00 59.36 59.05 2k5c h GLU 41 Cb 0.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k5c h GLU 41 CO -0.06 0.58 -1.37 0.00 -0.73 0.00 0.00 179.01 177.44 2k5c h ARG 42 N 0.29 0.21 -0.08 1.92 3.08 -1.78 -3.21 114.38 114.80 2k5c h ARG 42 Ca 0.04 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 2k5c h ARG 42 Cb 0.65 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2k5c h ARG 42 CO 0.05 1.10 -0.28 0.35 -1.07 0.00 0.00 179.97 180.11 2k5c h PHE 43 N 0.06 0.44 -0.13 3.04 3.04 -1.22 -2.51 116.94 119.66 2k5c h PHE 43 Ca -0.18 -0.18 -0.11 0.00 3.98 0.00 0.00 57.97 61.48 2k5c h PHE 43 Cb 1.97 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.39 2k5c h PHE 43 CO 0.05 0.90 -0.41 -0.07 -2.02 0.00 0.00 178.31 176.76 2k5c h LEU 44 N -0.14 0.32 -0.66 0.59 3.38 -1.41 -2.22 115.31 115.17 2k5c h LEU 44 Ca -0.01 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2k5c h LEU 44 Cb 0.91 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2k5c h LEU 44 CO 0.06 0.70 -0.64 0.00 0.09 0.00 0.00 178.44 178.65 2k5c h ALA 45 N 1.32 0.87 0.15 1.53 0.00 -1.65 -2.80 119.26 118.67 2k5c h ALA 45 Ca 0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 2k5c h ALA 45 Cb 0.84 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k5c h ALA 45 CO 0.07 0.77 -1.28 0.37 0.00 0.00 0.00 179.25 179.18 2k5c h GLN 46 N 0.10 0.41 -0.35 0.00 4.15 -1.34 -3.05 115.11 115.02 2k5c h GLN 46 Ca -0.01 -0.64 -0.13 0.00 0.77 0.00 0.00 58.65 58.64 2k5c h GLN 46 Cb 1.15 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 2k5c h GLN 46 CO 0.09 1.29 -0.28 0.28 -1.93 0.00 0.00 178.83 178.28 2k5c h VAL 47 N 0.14 1.29 0.00 2.39 2.07 -1.48 -0.86 116.25 119.79 2k5c h VAL 47 Ca -0.17 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 2k5c h VAL 47 Cb 1.98 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2k5c h VAL 47 CO 0.23 0.47 -0.29 -0.33 0.02 0.00 0.00 177.57 177.67 2k5c h GLU 48 N 0.61 0.00 0.00 1.57 5.08 -1.63 -2.31 114.58 117.90 2k5c h GLU 48 Ca 0.07 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 2k5c h GLU 48 Cb 0.85 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2k5c h GLU 48 CO 0.07 0.29 -1.85 0.39 -1.00 0.00 0.00 179.01 176.91 2k5c n GLU 49 N -3.56 0.65 -4.08 2.33 1.02 -1.15 -3.53 120.64 112.32 2k5c n GLU 49 Ca -0.01 0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 2k5c n GLU 49 Cb 0.43 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.94 3.39 0.27 -0.32 5.36 -0.33 -4.99 117.98 118.42 2k5c s PHE 50 Ca -0.06 0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 56.17 2k5c s PHE 50 Cb 0.09 -1.84 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 2k5c s PHE 50 CO 0.84 0.61 0.57 0.14 -1.46 0.00 0.00 175.22 175.92 2k5c s VAL 51 N -1.05 4.95 0.04 3.12 -7.23 -1.26 -3.71 120.40 115.27 2k5c s VAL 51 Ca 0.17 0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.74 2k5c s VAL 51 Cb -0.12 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2k5c s VAL 51 CO 0.07 -0.21 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.08 2k5c s PHE 52 N -1.97 1.86 -0.04 2.82 0.08 0.11 -4.89 117.98 115.94 2k5c s PHE 52 Ca 0.46 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 2k5c s PHE 52 Cb -0.11 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2k5c s PHE 52 CO 0.25 0.08 0.29 0.15 -0.10 0.00 0.00 175.22 175.89 2k5c s LYS 53 N -1.09 3.69 -0.14 0.44 1.02 -1.26 -1.98 119.74 120.43 2k5c s LYS 53 Ca 0.08 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 2k5c s LYS 53 Cb -0.09 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2k5c s LYS 53 CO 0.01 0.72 0.36 0.00 -0.92 0.00 0.00 175.35 175.52 2k5c n PRO 55 N 3.49 0.46 -0.11 0.00 -0.04 -1.26 -1.69 135.00 135.85 2k5c n PRO 55 Ca -0.11 0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 2k5c n PRO 55 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.21 1.51 -0.11 0.52 0.31 -1.26 -4.87 118.33 113.22 2k5c n VAL 56 Ca 0.13 -0.11 -0.22 0.00 -0.01 0.00 0.00 64.34 64.13 2k5c n VAL 56 Cb 0.17 -2.12 -0.07 0.00 -0.91 0.00 0.00 33.84 30.90 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 1.33 3.90 0.00 0.00 -0.68 -5.01 105.19 106.20 2k5c n GLY 58 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.17 3.44 0.03 1.61 0.41 -1.26 -4.71 118.70 118.05 2k5c s GLU 59 Ca 0.00 -0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 54.01 2k5c s GLU 59 Cb 0.00 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 2k5c s GLU 59 CO 0.00 0.68 0.78 -1.21 -0.49 0.00 0.00 175.26 175.03 2k5c s GLU 60 N -1.85 4.50 0.04 1.61 2.02 -1.26 -3.38 118.70 120.39 2k5c s GLU 60 Ca 0.26 1.09 0.04 0.00 0.02 0.00 0.00 54.97 56.38 2k5c s GLU 60 Cb -0.13 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2k5c s GLU 60 CO 0.17 0.23 -0.11 -0.59 0.02 0.00 0.00 175.26 174.98 2k5c s PHE 61 N 0.11 0.97 0.19 1.61 -0.12 -0.84 -4.92 117.98 114.99 2k5c s PHE 61 Ca 0.40 -0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2k5c s PHE 61 Cb -0.20 -0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 41.56 2k5c s PHE 61 CO 0.23 -0.00 0.44 0.71 -0.05 0.00 0.00 175.22 176.55 2k5c s TYR 62 N -1.03 3.46 -2.04 3.49 2.02 -1.26 -0.71 117.35 121.28 2k5c s TYR 62 Ca -0.03 0.62 0.28 0.00 -0.37 0.00 0.00 57.07 57.57 2k5c s TYR 62 Cb -0.08 -2.07 1.61 0.00 -0.40 0.00 0.00 41.96 41.02 2k5c s TYR 62 CO 0.01 0.35 2.04 0.41 -1.57 0.00 0.00 175.55 176.79 2k5c n GLY 63 N -0.19 -0.91 0.08 0.71 0.00 -0.87 -3.38 105.19 100.63 2k5c n GLY 63 Ca -0.02 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.19 0.00 0.00 1.61 3.64 -1.79 -3.37 116.57 116.85 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k5c h LYS 64 CO 0.00 0.00 -0.63 0.25 -2.27 0.00 0.00 179.45 176.80 2k5c n THR 65 N -2.29 0.18 -2.55 1.00 -2.24 -1.22 -4.97 114.28 102.20 2k5c n THR 65 Ca 0.02 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 2k5c n THR 65 Cb 0.47 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2k5c n THR 65 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2k5c s LEU 66 N -3.68 4.08 0.72 3.22 0.05 -1.26 -5.07 118.68 116.74 2k5c s LEU 66 Ca 0.08 2.01 -0.14 0.00 0.05 0.00 0.00 54.13 56.13 2k5c s LEU 66 Cb 0.15 -4.27 0.03 0.00 -2.05 0.00 0.00 46.19 40.06 2k5c s LEU 66 CO 0.72 -0.55 1.13 -2.84 -0.55 0.00 0.00 176.35 174.26 2k5c s PRO 67 N -2.66 2.40 0.50 1.48 0.02 -1.26 -4.92 135.00 130.56 2k5c s PRO 67 Ca 0.60 1.43 0.16 0.00 0.02 0.00 0.00 61.00 63.21 2k5c s PRO 67 Cb -0.21 -1.90 1.22 0.00 0.02 0.00 0.00 34.50 33.64 2k5c s PRO 67 CO 0.26 -1.57 2.11 0.00 -0.33 0.00 0.00 177.00 177.47 2k5c h ARG 68 N -0.43 0.09 -0.59 5.54 3.08 -1.99 -2.49 114.38 117.58 2k5c h ARG 68 Ca -0.46 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 2k5c h ARG 68 Cb 1.25 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 2k5c h ARG 68 CO 0.52 0.06 0.33 0.00 -1.07 0.00 0.00 179.97 179.81 2k5c h ARG 69 N 0.10 0.81 0.00 0.04 3.08 -2.00 -2.19 114.38 114.21 2k5c h ARG 69 Ca 0.07 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2k5c h ARG 69 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2k5c h ARG 69 CO -0.01 0.59 -0.74 0.93 -1.07 0.00 0.00 179.97 179.67 2k5c h GLU 70 N 0.82 0.00 -0.11 0.04 5.08 -1.83 -3.29 114.58 115.29 2k5c h GLU 70 Ca 0.21 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2k5c h GLU 70 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2k5c h GLU 70 CO -0.04 0.74 -0.38 0.00 -1.00 0.00 0.00 179.01 178.34 2k5c h ALA 71 N 1.26 1.15 0.00 3.43 0.00 -1.33 -3.10 119.26 120.67 2k5c h ALA 71 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2k5c h ALA 71 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k5c h ALA 71 CO 0.10 0.56 -0.39 0.93 0.00 0.00 0.00 179.25 180.45 2k5c h GLU 72 N 0.21 0.00 0.00 0.00 5.08 -1.47 -3.16 114.58 115.23 2k5c h GLU 72 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2k5c h GLU 72 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2k5c h GLU 72 CO 0.06 0.39 -0.39 0.87 -1.00 0.00 0.00 179.01 178.94 2k5c h LYS 73 N 0.00 0.00 -0.31 2.33 1.57 -1.61 -3.17 116.57 115.38 2k5c h LYS 73 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2k5c h LYS 73 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2k5c h LYS 73 CO 0.05 0.39 -0.17 0.28 -0.57 0.00 0.00 179.45 179.43 2k5c h VAL 74 N 0.00 1.25 0.00 0.50 2.07 -1.62 -3.00 116.25 115.45 2k5c h VAL 74 Ca -0.00 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 2k5c h VAL 74 Cb 0.75 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2k5c h VAL 74 CO 0.05 0.38 -0.17 -0.26 0.02 0.00 0.00 177.57 177.59 2k5c h PHE 75 N 0.51 0.00 -0.49 1.57 -1.00 -1.68 -3.19 116.94 112.66 2k5c h PHE 75 Ca 0.08 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 2k5c h PHE 75 Cb 0.59 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 2k5c h PHE 75 CO 0.02 0.17 -0.14 1.49 -1.61 0.00 0.00 178.31 178.24 2k5c h GLU 76 N 0.00 0.93 -0.01 1.51 4.57 -1.64 -1.03 114.58 118.92 2k5c h GLU 76 Ca -0.00 -0.35 -0.17 0.00 -1.18 0.00 0.00 59.36 57.67 2k5c h GLU 76 Cb 0.31 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2k5c h GLU 76 CO 0.02 1.00 -0.77 1.37 -1.18 0.00 0.00 179.01 179.46 2k5c h LEU 77 N 0.82 0.08 0.00 1.64 8.10 -1.66 -2.43 115.31 121.87 2k5c h LEU 77 Ca 0.13 -0.06 -0.05 0.00 0.11 0.00 0.00 57.88 58.00 2k5c h LEU 77 Cb 0.68 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 2k5c h LEU 77 CO 0.05 0.82 -0.34 -0.07 -4.11 0.00 0.00 178.44 174.79 2k5c h LEU 78 N 0.04 0.00 -0.03 0.17 3.38 -1.53 -3.33 115.31 114.01 2k5c h LEU 78 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k5c h LEU 78 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2k5c h LEU 78 CO 0.11 0.24 -0.98 0.59 0.09 0.00 0.00 178.44 178.48 2k5c n ASN 79 N -3.12 1.02 -3.32 -0.43 3.02 -0.40 -4.61 115.26 107.44 2k5c n ASN 79 Ca 0.02 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 2k5c n ASN 79 Cb 0.63 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 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 -1.46 6.39 0.17 6.41 8.00 -0.91 -4.80 116.55 130.35 2k5c n ASP 80 Ca 0.04 -3.70 0.02 0.00 0.71 0.00 0.00 54.79 51.86 2k5c n ASP 80 Cb 0.33 -0.94 0.34 0.00 -0.02 0.00 0.00 41.12 40.83 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 3.67 0.06 -3.60 1.24 0.04 -1.81 -3.41 116.94 113.13 2k5c h PHE 81 Ca 0.41 -0.01 -0.68 0.00 2.80 0.00 0.00 57.97 60.49 2k5c h PHE 81 Cb 0.38 -0.01 -0.32 0.00 2.20 0.00 0.00 35.95 38.19 2k5c h PHE 81 CO 1.15 0.41 -0.73 0.15 -0.60 0.00 0.00 178.31 178.69 2k5c s LYS 82 N -4.21 2.71 0.00 1.51 1.02 -1.26 -4.85 119.74 114.65 2k5c s LYS 82 Ca -0.03 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2k5c s LYS 82 Cb 0.14 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2k5c s LYS 82 CO 0.73 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2k5c n GLY 83 N 4.65 -1.01 0.00 -3.33 0.00 -1.26 -4.99 105.19 99.25 2k5c n GLY 83 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 1.20 3.02 3.42 -0.02 0.00 -1.26 -4.95 105.19 106.60 2k5c n GLY 84 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 3.65 -0.07 -0.61 1.09 -1.26 -2.19 121.20 121.81 2k5c s ILE 85 Ca 0.00 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.18 2k5c s ILE 85 Cb 0.00 -2.62 -0.01 0.00 -1.06 0.00 0.00 42.46 38.77 2k5c s ILE 85 CO 0.00 0.46 -0.24 -1.81 -0.10 0.00 0.00 174.94 173.26 2k5c s ASP 86 N 0.81 3.17 0.11 3.58 1.01 -0.61 -4.86 116.67 119.87 2k5c s ASP 86 Ca -0.01 -0.50 0.04 0.00 0.71 0.00 0.00 52.55 52.79 2k5c s ASP 86 Cb -0.15 -1.00 -0.23 0.00 1.01 0.00 0.00 42.92 42.55 2k5c s ASP 86 CO 0.02 0.23 1.24 -0.50 0.21 0.00 0.00 175.17 176.36 2k5c h TRP 87 N 6.20 0.15 0.13 4.23 4.06 -1.97 -2.19 115.95 126.55 2k5c h TRP 87 Ca -0.30 -0.11 -0.29 0.00 2.06 0.00 0.00 58.89 60.26 2k5c h TRP 87 Cb 1.19 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2k5c h TRP 87 CO 0.44 1.08 -1.37 0.93 -3.56 0.00 0.00 178.44 175.97 2k5c h GLU 88 N 0.02 0.28 0.00 0.49 5.08 -1.99 -3.35 114.58 115.12 2k5c h GLU 88 Ca -0.05 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2k5c h GLU 88 Cb 1.83 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2k5c h GLU 88 CO 0.15 1.20 -0.96 0.09 -1.00 0.00 0.00 179.01 178.49 2k5c n ASN 89 N -3.52 0.65 -2.77 1.42 3.02 -1.26 -5.02 115.26 107.79 2k5c n ASN 89 Ca -0.12 -0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.21 2k5c n ASN 89 Cb 1.04 0.62 0.01 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.15 -3.43 -4.28 3.52 5.02 -0.83 -5.02 118.16 111.00 2k5c n LYS 90 Ca 0.02 0.90 -0.35 0.00 -2.02 0.00 0.00 58.31 56.86 2k5c n LYS 90 Cb 0.46 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 29.71 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 -5.43 3.31 -0.13 1.97 0.52 -1.17 -4.99 118.95 113.03 2k5c s ARG 91 Ca 0.18 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 2k5c s ARG 91 Cb -0.08 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.48 2k5c s ARG 91 CO 0.22 0.55 -0.21 0.08 0.02 0.00 0.00 175.30 175.95 2k5c s VAL 92 N -0.45 2.18 -0.10 3.52 1.01 -1.26 -1.57 120.40 123.73 2k5c s VAL 92 Ca 0.08 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2k5c s VAL 92 Cb -0.12 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2k5c s VAL 92 CO 0.02 0.55 -0.20 -0.75 0.00 0.00 0.00 175.10 174.72 2k5c s LYS 93 N 0.66 2.65 -0.05 2.72 2.20 -0.93 -4.92 119.74 122.07 2k5c s LYS 93 Ca -0.10 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 2k5c s LYS 93 Cb -0.16 -2.09 0.01 0.00 -1.51 0.00 0.00 37.83 34.08 2k5c s LYS 93 CO 0.02 0.08 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.45 2k5c s LEU 94 N 0.59 1.71 0.00 5.43 1.43 -1.26 -4.61 118.68 121.98 2k5c s LEU 94 Ca -0.14 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2k5c s LEU 94 Cb -0.17 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.35 2k5c s LEU 94 CO 0.04 0.06 0.79 0.29 0.23 0.00 0.00 176.35 177.76