#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctl s SER 2 N 0.00 6.69 -0.08 1.61 0.01 -1.26 -4.99 113.70 115.68 2ctl s SER 2 Ca 0.00 1.24 -0.05 0.00 1.31 0.00 0.00 55.95 58.45 2ctl s SER 2 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.73 2ctl s SER 2 CO 0.00 -1.06 0.19 -0.55 0.41 0.00 0.00 173.24 172.24 2ctl s SER 3 N 2.72 -0.19 -0.28 2.44 0.15 -1.26 -5.13 113.70 112.16 2ctl s SER 3 Ca 0.56 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2ctl s SER 3 Cb -0.17 0.31 0.16 0.00 -1.71 0.00 0.00 66.02 64.61 2ctl s SER 3 CO 0.22 -0.14 0.43 -0.83 1.20 0.00 0.00 173.24 174.13 2ctl s GLY 4 N 0.98 -0.62 0.75 9.45 0.00 -1.26 -5.16 107.32 111.46 2ctl s GLY 4 Ca -0.07 0.67 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 2ctl s GLY 4 CO -0.06 3.00 1.11 -1.35 0.00 0.00 0.00 173.10 175.80 2ctl s SER 5 N 2.60 5.06 -0.18 1.64 1.04 -1.26 -5.07 113.70 117.52 2ctl s SER 5 Ca 0.12 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 2ctl s SER 5 Cb -0.13 -1.88 0.06 0.00 0.10 0.00 0.00 66.02 64.16 2ctl s SER 5 CO -0.24 -1.59 0.04 -0.55 0.98 0.00 0.00 173.24 171.88 2ctl s SER 6 N -4.26 2.76 -0.19 7.02 0.15 -1.26 -4.93 113.70 112.98 2ctl s SER 6 Ca 0.59 -0.75 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 2ctl s SER 6 Cb -0.12 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2ctl s SER 6 CO 0.52 -0.30 0.22 0.61 1.20 0.00 0.00 173.24 175.48 2ctl n GLY 7 N 5.08 -0.76 0.33 9.45 0.00 -1.26 -4.95 105.19 113.07 2ctl n GLY 7 Ca -0.09 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2ctl n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctl h GLU 8 N 0.42 -0.39 -4.68 1.61 4.39 -2.04 -3.37 114.58 110.52 2ctl h GLU 8 Ca 0.00 0.03 -0.69 0.00 0.34 0.00 0.00 59.36 59.03 2ctl h GLU 8 Cb 0.65 0.09 -0.26 0.00 -0.10 0.00 0.00 28.75 29.13 2ctl h GLU 8 CO 0.08 -0.26 -0.58 -0.65 -1.16 0.00 0.00 179.01 176.45 2ctl s GLN 9 N -6.01 2.83 -0.35 2.33 -0.21 -1.26 -4.96 119.66 112.04 2ctl s GLN 9 Ca -0.15 -1.05 0.13 0.00 0.02 0.00 0.00 55.36 54.31 2ctl s GLN 9 Cb 0.10 -3.53 0.45 0.00 1.00 0.00 0.00 33.01 31.03 2ctl s GLN 9 CO 0.66 -0.61 1.06 -0.85 -2.12 0.00 0.00 175.29 173.43 2ctl n GLU 10 N 4.89 2.33 -0.09 2.91 0.28 -1.26 -4.86 120.64 124.84 2ctl n GLU 10 Ca -0.13 -3.83 -0.13 0.00 -0.16 0.00 0.00 57.16 52.90 2ctl n GLU 10 Cb 0.46 -1.77 -0.04 0.00 1.43 0.00 0.00 31.44 31.51 2ctl n GLU 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2ctl h ASP 11 N 2.69 0.76 -1.32 -1.84 3.32 -1.96 -2.98 116.42 115.09 2ctl h ASP 11 Ca 0.09 -0.48 0.38 0.00 0.02 0.00 0.00 57.03 57.04 2ctl h ASP 11 Cb 1.15 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 2ctl h ASP 11 CO 0.60 1.08 1.19 0.08 -1.72 0.00 0.00 179.24 180.48 2ctl h ARG 12 N 0.45 0.00 0.07 3.56 0.11 -1.99 0.63 114.38 117.20 2ctl h ARG 12 Ca 0.04 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.77 2ctl h ARG 12 Cb 0.88 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.93 2ctl h ARG 12 CO 0.07 0.00 -1.99 0.00 0.10 0.00 0.00 179.97 178.15 2ctl n ALA 13 N -2.54 0.99 -0.01 0.08 0.00 -1.14 -3.86 120.51 114.02 2ctl n ALA 13 Ca 0.29 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2ctl n ALA 13 Cb 1.59 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 2ctl n ALA 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ctl h LEU 14 N -0.21 0.12 -2.50 0.00 3.38 0.25 -1.53 115.31 114.82 2ctl h LEU 14 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2ctl h LEU 14 Cb 1.85 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 2ctl h LEU 14 CO -0.03 0.09 -0.02 0.08 0.09 0.00 0.00 178.44 178.64 2ctl h ARG 15 N 0.15 0.00 -0.74 1.13 0.11 -0.89 -0.12 114.38 114.02 2ctl h ARG 15 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2ctl h ARG 15 Cb -0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2ctl h ARG 15 CO -0.03 0.02 0.00 0.45 0.10 0.00 0.00 179.97 180.51 2ctl n SER 16 N -3.55 3.67 -4.65 0.08 2.88 -0.58 -3.64 113.62 107.83 2ctl n SER 16 Ca -0.03 -2.51 -0.42 0.00 -1.33 0.00 0.00 58.87 54.58 2ctl n SER 16 Cb 0.11 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ctl s PHE 17 N -1.99 3.34 -0.22 0.66 2.19 -0.06 -4.97 117.98 116.92 2ctl s PHE 17 Ca 0.31 1.29 -0.05 0.00 0.33 0.00 0.00 56.93 58.82 2ctl s PHE 17 Cb 0.24 -3.14 -0.01 0.00 -1.31 0.00 0.00 43.02 38.80 2ctl s PHE 17 CO 0.10 -0.41 -0.02 0.21 1.83 0.00 0.00 175.22 176.93 2ctl s LYS 18 N 2.89 3.44 0.09 10.12 2.20 -1.26 -2.75 119.74 134.47 2ctl s LYS 18 Ca 0.39 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 2ctl s LYS 18 Cb -0.15 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2ctl s LYS 18 CO 0.08 -0.18 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.69 2ctl s LEU 19 N 1.47 3.39 -0.20 5.43 2.96 -0.33 -4.94 118.68 126.46 2ctl s LEU 19 Ca 0.06 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2ctl s LEU 19 Cb -0.14 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.46 2ctl s LEU 19 CO -0.02 0.18 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.11 2ctl s SER 20 N -2.29 3.48 -0.17 3.68 1.04 -1.25 -1.53 113.70 116.66 2ctl s SER 20 Ca 0.25 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.63 2ctl s SER 20 Cb -0.12 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 2ctl s SER 20 CO 0.17 -0.10 0.40 -0.69 0.98 0.00 0.00 173.24 174.00 2ctl s VAL 21 N 1.31 5.22 -0.66 5.02 1.01 -0.38 -4.83 120.40 127.09 2ctl s VAL 21 Ca -0.00 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 2ctl s VAL 21 Cb -0.16 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2ctl s VAL 21 CO -0.09 0.30 0.94 -0.89 0.00 0.00 0.00 175.10 175.36 2ctl s THR 22 N 0.95 4.38 -0.08 3.92 2.01 -1.26 -1.22 115.64 124.34 2ctl s THR 22 Ca 0.20 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2ctl s THR 22 Cb -0.14 -4.67 0.04 0.00 0.01 0.00 0.00 72.50 67.74 2ctl s THR 22 CO 0.08 -1.43 0.16 -0.69 -0.69 0.00 0.00 174.62 172.04 2ctl s VAL 23 N 3.90 -0.17 0.29 3.82 1.01 0.59 -5.03 120.40 124.80 2ctl s VAL 23 Ca 0.21 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 2ctl s VAL 23 Cb -0.17 -0.27 -0.15 0.00 0.00 0.00 0.00 36.38 35.78 2ctl s VAL 23 CO 0.09 0.12 0.27 0.47 0.00 0.00 0.00 175.10 176.05 2ctl n ASP 24 N 4.83 -1.99 0.00 3.32 8.00 -1.26 -4.26 116.55 125.19 2ctl n ASP 24 Ca -0.14 0.90 0.07 0.00 0.71 0.00 0.00 54.79 56.32 2ctl n ASP 24 Cb 0.51 -0.86 0.41 0.00 -0.02 0.00 0.00 41.12 41.16 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ctl n PRO 25 N 1.11 0.49 0.07 -0.24 -0.04 -1.25 -2.64 135.00 132.49 2ctl n PRO 25 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 2ctl n PRO 25 Cb 0.31 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 2ctl n PRO 25 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2ctl h LYS 26 N 0.00 0.34 0.00 0.54 2.10 -1.89 -3.35 116.57 114.31 2ctl h LYS 26 Ca 0.00 -0.58 -0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2ctl h LYS 26 Cb 0.00 0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2ctl h LYS 26 CO 0.00 1.23 -0.72 1.88 -2.00 0.00 0.00 179.45 179.84 2ctl h TYR 27 N 0.09 0.00 -0.52 0.07 0.05 -1.84 -3.38 116.97 111.43 2ctl h TYR 27 Ca -0.30 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.54 2ctl h TYR 27 Cb 2.07 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.72 2ctl h TYR 27 CO 0.09 0.02 -0.56 0.45 -1.05 0.00 0.00 178.16 177.10 2ctl h HIS 28 N 0.00 -1.74 0.00 4.88 3.86 -1.67 0.68 115.15 121.16 2ctl h HIS 28 Ca -0.00 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ctl h HIS 28 Cb 1.02 0.83 0.00 0.00 1.06 0.00 0.00 27.41 30.32 2ctl h HIS 28 CO 0.00 -0.47 0.00 -0.35 0.86 0.00 0.00 177.93 177.97 2ctl n PRO 29 N -5.34 0.19 -0.01 2.45 -0.04 -1.26 -2.17 135.00 128.82 2ctl n PRO 29 Ca -0.02 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2ctl n PRO 29 Cb 0.32 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2ctl n PRO 29 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ctl n LYS 30 N -1.31 0.65 0.09 0.54 4.76 0.20 -4.28 118.16 118.81 2ctl n LYS 30 Ca 0.07 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 2ctl n LYS 30 Cb 0.12 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.55 2ctl n LYS 30 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2ctl h ILE 31 N 0.00 1.48 0.03 -0.18 2.04 0.07 -3.36 117.51 117.60 2ctl h ILE 31 Ca -0.17 -3.08 0.01 0.00 1.00 0.00 0.00 64.86 62.62 2ctl h ILE 31 Cb 1.43 2.91 -0.04 0.00 -0.74 0.00 0.00 36.82 40.37 2ctl h ILE 31 CO 0.02 0.89 -0.43 0.40 0.00 0.00 0.00 178.15 179.03 2ctl h ILE 32 N 0.06 0.00 0.00 -0.67 2.04 -1.72 -3.38 117.51 113.85 2ctl h ILE 32 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ctl h ILE 32 Cb 1.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2ctl h ILE 32 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.95 2ctl n GLY 33 N -1.38 3.97 0.20 5.37 0.00 -1.26 -1.36 105.19 110.73 2ctl n GLY 33 Ca -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 2ctl n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ctl h ARG 34 N 0.00 0.14 0.00 1.61 3.08 -1.91 -3.14 114.38 114.16 2ctl h ARG 34 Ca 0.00 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 2ctl h ARG 34 Cb 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 2ctl h ARG 34 CO 0.00 0.10 -2.06 1.17 -1.07 0.00 0.00 179.97 178.11 2ctl n LYS 35 N -5.20 1.25 0.00 0.04 3.00 -1.26 -5.02 118.16 110.97 2ctl n LYS 35 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2ctl n LYS 35 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.89 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctl n GLY 36 N 1.94 1.73 0.32 3.14 0.00 -1.19 -4.94 105.19 106.19 2ctl n GLY 36 Ca -0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl h ALA 37 N 0.00 1.46 0.08 4.61 0.00 -1.90 -1.79 119.26 121.71 2ctl h ALA 37 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ctl h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ctl h ALA 37 CO 0.00 -0.46 -0.04 0.28 0.00 0.00 0.00 179.25 179.04 2ctl h VAL 38 N 0.00 0.00 -0.31 0.00 2.07 -1.93 -2.64 116.25 113.44 2ctl h VAL 38 Ca 0.00 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2ctl h VAL 38 Cb 0.94 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2ctl h VAL 38 CO 0.00 0.00 0.24 -0.29 0.02 0.00 0.00 177.57 177.54 2ctl h ILE 39 N -0.17 0.78 -0.49 4.57 6.09 -0.68 -0.61 117.51 127.01 2ctl h ILE 39 Ca -0.01 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.41 2ctl h ILE 39 Cb 0.08 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 2ctl h ILE 39 CO 0.02 0.00 0.02 0.74 -3.07 0.00 0.00 178.15 175.85 2ctl h THR 40 N 0.00 1.24 -0.18 2.19 2.02 -1.40 -1.76 112.91 115.02 2ctl h THR 40 Ca 0.15 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 2ctl h THR 40 Cb 0.62 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2ctl h THR 40 CO -0.00 0.35 -0.31 -0.61 0.37 0.00 0.00 175.52 175.32 2ctl h GLN 41 N 0.75 0.36 -0.17 6.66 5.75 -0.72 -2.50 115.11 125.23 2ctl h GLN 41 Ca 0.15 -0.14 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 2ctl h GLN 41 Cb 0.43 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.97 2ctl h GLN 41 CO 0.02 0.63 -0.69 0.82 -2.65 0.00 0.00 178.83 176.96 2ctl h ILE 42 N 0.31 1.29 -0.35 2.39 2.04 -1.34 -1.72 117.51 120.14 2ctl h ILE 42 Ca 0.04 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 2ctl h ILE 42 Cb 0.70 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2ctl h ILE 42 CO 0.05 0.60 0.19 0.03 0.00 0.00 0.00 178.15 179.03 2ctl h ARG 43 N 0.50 0.48 -0.20 2.37 3.08 -1.21 -2.68 114.38 116.73 2ctl h ARG 43 Ca -0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2ctl h ARG 43 Cb 1.32 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2ctl h ARG 43 CO 0.14 0.39 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.32 2ctl h LEU 44 N 0.44 0.38 -0.63 3.04 3.38 -1.50 0.54 115.31 120.95 2ctl h LEU 44 Ca 0.12 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.84 2ctl h LEU 44 Cb 0.05 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 2ctl h LEU 44 CO -0.02 0.66 -0.27 -0.08 0.09 0.00 0.00 178.44 178.82 2ctl h GLU 45 N 0.10 -0.09 -0.54 1.13 4.81 -1.19 0.14 114.58 118.93 2ctl h GLU 45 Ca 0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2ctl h GLU 45 Cb 0.49 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2ctl h GLU 45 CO 0.02 -0.06 0.00 0.72 -0.73 0.00 0.00 179.01 178.96 2ctl n HIS 46 N -5.45 1.62 -4.05 0.92 8.25 -1.02 -4.94 115.22 110.56 2ctl n HIS 46 Ca 0.06 -0.70 -0.35 0.00 -0.26 0.00 0.00 57.72 56.48 2ctl n HIS 46 Cb 0.36 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2ctl n HIS 46 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2ctl n ASP 47 N 0.63 -1.18 -4.71 0.41 5.75 0.15 -4.69 116.55 112.90 2ctl n ASP 47 Ca 0.25 -1.05 -0.23 0.00 -0.01 0.00 0.00 54.79 53.75 2ctl n ASP 47 Cb 1.01 -1.34 -0.07 0.00 -1.03 0.00 0.00 41.12 39.69 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2ctl s VAL 48 N -3.07 3.01 -0.29 2.12 -7.23 0.10 -4.82 120.40 110.21 2ctl s VAL 48 Ca 0.60 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2ctl s VAL 48 Cb -0.35 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 2ctl s VAL 48 CO 0.86 -0.20 0.11 0.21 -0.31 0.00 0.00 175.10 175.77 2ctl s ASN 49 N -3.82 5.34 -0.15 4.85 2.47 0.03 -4.56 114.94 119.10 2ctl s ASN 49 Ca 0.37 -0.53 -0.05 0.00 0.42 0.00 0.00 52.86 53.07 2ctl s ASN 49 Cb -0.02 -1.95 -0.03 0.00 -1.45 0.00 0.00 41.25 37.79 2ctl s ASN 49 CO 0.22 -0.17 0.01 -0.63 -3.72 0.00 0.00 177.10 172.81 2ctl s ILE 50 N 1.58 4.35 -0.05 -5.21 1.01 -1.26 -1.46 121.20 120.14 2ctl s ILE 50 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2ctl s ILE 50 Cb -0.17 -2.91 0.04 0.00 0.01 0.00 0.00 42.46 39.43 2ctl s ILE 50 CO 0.05 0.50 0.12 -1.10 0.00 0.00 0.00 174.94 174.50 2ctl s GLN 51 N 0.12 0.06 0.19 2.79 -0.21 -0.72 -5.04 119.66 116.85 2ctl s GLN 51 Ca 0.02 0.32 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 2ctl s GLN 51 Cb -0.13 -0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.63 2ctl s GLN 51 CO 0.02 -0.17 0.40 -0.06 -2.12 0.00 0.00 175.29 173.36 2ctl s PHE 52 N 1.15 3.48 0.96 0.91 0.40 -1.26 -2.17 117.98 121.45 2ctl s PHE 52 Ca -0.09 0.45 -0.12 0.00 -0.60 0.00 0.00 56.93 56.57 2ctl s PHE 52 Cb -0.12 -1.93 0.17 0.00 0.51 0.00 0.00 43.02 41.64 2ctl s PHE 52 CO -0.05 0.37 1.09 -1.25 0.70 0.00 0.00 175.22 176.08 2ctl s PRO 53 N -3.12 0.71 -0.04 0.24 0.04 -1.26 -4.98 135.00 126.59 2ctl s PRO 53 Ca 0.40 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2ctl s PRO 53 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2ctl s PRO 53 CO 0.28 -2.57 -0.11 0.34 0.04 0.00 0.00 177.00 174.97 2ctl s ASP 54 N -3.44 4.26 -0.06 6.66 2.15 -1.26 -4.99 116.67 120.00 2ctl s ASP 54 Ca 0.65 -0.15 -0.25 0.00 0.43 0.00 0.00 52.55 53.22 2ctl s ASP 54 Cb -0.18 -0.95 -0.23 0.00 -0.30 0.00 0.00 42.92 41.25 2ctl s ASP 54 CO 0.57 0.34 1.04 0.11 -0.17 0.00 0.00 175.17 177.06 2ctl h LYS 55 N 5.18 0.12 -1.03 4.34 1.79 -1.96 -3.26 116.57 121.75 2ctl h LYS 55 Ca -0.47 -0.11 0.28 0.00 -2.18 0.00 0.00 60.65 58.16 2ctl h LYS 55 Cb 1.16 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 2ctl h LYS 55 CO 0.51 0.84 0.62 0.22 -1.08 0.00 0.00 179.45 180.56 2ctl h ASP 56 N -0.57 0.58 0.05 0.86 1.82 -2.00 -2.35 116.42 114.82 2ctl h ASP 56 Ca -0.02 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2ctl h ASP 56 Cb 0.89 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.95 2ctl h ASP 56 CO 0.03 0.04 -0.06 -0.78 -1.61 0.00 0.00 179.24 176.86 2ctl h ASP 57 N 0.47 -0.16 0.00 2.28 1.82 -1.95 -3.47 116.42 115.41 2ctl h ASP 57 Ca 0.66 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 2ctl h ASP 57 Cb 1.44 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.50 2ctl h ASP 57 CO -0.47 -0.08 0.00 0.61 -1.61 0.00 0.00 179.24 177.70 2ctl n GLY 58 N -1.06 1.95 0.45 -0.78 0.00 -0.89 -4.70 105.19 100.17 2ctl n GLY 58 Ca -0.01 -0.47 0.35 0.00 0.00 0.00 0.00 46.02 45.88 2ctl n GLY 58 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ctl h ASN 59 N 0.00 0.27 -3.80 1.61 4.21 -1.90 -3.39 115.58 112.58 2ctl h ASN 59 Ca 0.00 0.13 -0.48 0.00 1.21 0.00 0.00 56.30 57.16 2ctl h ASN 59 Cb 0.00 0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 2ctl h ASN 59 CO 0.00 -0.15 0.15 -1.10 -1.29 0.00 0.00 177.43 175.05 2ctl s GLN 60 N -5.33 3.99 0.20 0.81 -0.21 -1.26 -5.03 119.66 112.83 2ctl s GLN 60 Ca -0.08 0.72 -0.30 0.00 0.02 0.00 0.00 55.36 55.72 2ctl s GLN 60 Cb 0.29 -2.37 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 2ctl s GLN 60 CO 0.82 0.06 1.30 -1.25 -2.12 0.00 0.00 175.29 174.10 2ctl s PRO 61 N -3.25 4.40 0.04 2.91 0.04 -1.26 -4.91 135.00 132.96 2ctl s PRO 61 Ca 0.55 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.87 2ctl s PRO 61 Cb -0.10 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.31 2ctl s PRO 61 CO 0.20 -0.24 1.05 1.04 0.04 0.00 0.00 177.00 179.09 2ctl n GLN 62 N 2.56 0.22 0.00 4.56 1.13 -1.26 -4.00 117.38 120.60 2ctl n GLN 62 Ca 0.06 -0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.22 2ctl n GLN 62 Cb 0.43 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.11 2ctl n GLN 62 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ctl n ASP 63 N -1.85 0.63 -4.79 1.08 5.75 -1.26 -3.91 116.55 112.20 2ctl n ASP 63 Ca 0.03 -0.54 -0.38 0.00 -0.01 0.00 0.00 54.79 53.89 2ctl n ASP 63 Cb 0.41 1.23 -0.06 0.00 -1.03 0.00 0.00 41.12 41.67 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2ctl s GLN 64 N -3.19 4.11 -0.13 0.11 -1.52 -1.26 -0.30 119.66 117.48 2ctl s GLN 64 Ca 0.03 0.44 0.01 0.00 -1.95 0.00 0.00 55.36 53.89 2ctl s GLN 64 Cb 0.15 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.63 2ctl s GLN 64 CO 0.86 0.49 -0.17 0.42 -0.25 0.00 0.00 175.29 176.64 2ctl s ILE 65 N -0.44 2.63 -0.01 1.08 1.01 -0.36 -4.12 121.20 120.99 2ctl s ILE 65 Ca 0.25 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 2ctl s ILE 65 Cb -0.16 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2ctl s ILE 65 CO 0.12 0.53 0.58 -0.89 0.00 0.00 0.00 174.94 175.29 2ctl s THR 66 N 0.50 4.93 -0.05 2.92 2.01 -0.92 -1.25 115.64 123.78 2ctl s THR 66 Ca -0.11 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.09 2ctl s THR 66 Cb -0.16 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.46 2ctl s THR 66 CO 0.05 0.41 0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 2ctl s ILE 67 N -0.14 -0.01 -0.00 1.82 1.01 -0.58 -1.75 121.20 121.54 2ctl s ILE 67 Ca 0.31 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.31 2ctl s ILE 67 Cb -0.18 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2ctl s ILE 67 CO 0.17 0.18 0.04 -0.89 0.00 0.00 0.00 174.94 174.44 2ctl s THR 68 N 2.13 4.42 -5.00 2.92 2.01 -0.54 -1.18 115.64 120.40 2ctl s THR 68 Ca 0.05 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2ctl s THR 68 Cb -0.12 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.39 2ctl s THR 68 CO -0.04 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2ctl n GLY 69 N 1.28 0.40 3.66 4.40 0.00 -1.11 -0.79 105.19 113.03 2ctl n GLY 69 Ca -0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2ctl n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ctl s TYR 70 N -2.93 2.34 0.36 1.61 2.02 -1.26 -3.75 117.35 115.74 2ctl s TYR 70 Ca 0.00 0.51 0.29 0.00 -0.37 0.00 0.00 57.07 57.50 2ctl s TYR 70 Cb 0.00 -3.76 1.18 0.00 -0.40 0.00 0.00 41.96 38.98 2ctl s TYR 70 CO 0.00 -3.04 1.16 -1.91 -1.57 0.00 0.00 175.55 170.19 2ctl n GLU 71 N 6.79 -0.02 0.03 -0.62 2.13 -1.25 -0.16 120.64 127.53 2ctl n GLU 71 Ca 0.16 0.89 -0.02 0.00 0.66 0.00 0.00 57.16 58.84 2ctl n GLU 71 Cb 0.43 -1.85 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 2ctl n GLU 71 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2ctl h LYS 72 N 0.00 -0.13 -0.71 5.31 1.57 -1.95 -3.09 116.57 117.58 2ctl h LYS 72 Ca 0.67 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.61 2ctl h LYS 72 Cb 2.37 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 34.60 2ctl h LYS 72 CO -0.22 -0.09 0.12 -0.91 -0.57 0.00 0.00 179.45 177.78 2ctl h ASN 73 N -0.62 -0.08 -0.47 0.86 4.21 -0.86 -0.43 115.58 118.20 2ctl h ASN 73 Ca -0.01 0.15 0.09 0.00 1.21 0.00 0.00 56.30 57.73 2ctl h ASN 73 Cb 0.10 0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 37.45 2ctl h ASN 73 CO 0.02 -0.06 0.01 0.71 -1.29 0.00 0.00 177.43 176.82 2ctl h THR 74 N 0.22 0.65 -0.18 2.81 1.35 -0.72 0.78 112.91 117.83 2ctl h THR 74 Ca 0.39 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 66.19 2ctl h THR 74 Cb 0.66 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 2ctl h THR 74 CO -0.52 0.02 0.00 -0.33 -0.25 0.00 0.00 175.52 174.44 2ctl h GLU 75 N 0.12 0.26 -0.08 4.72 4.39 -1.02 0.32 114.58 123.29 2ctl h GLU 75 Ca 0.23 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 2ctl h GLU 75 Cb 0.34 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2ctl h GLU 75 CO -0.38 0.28 -0.68 0.00 -1.16 0.00 0.00 179.01 177.07 2ctl h ALA 76 N 1.75 0.69 0.00 3.43 0.00 -0.08 -2.73 119.26 122.33 2ctl h ALA 76 Ca 0.06 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 2ctl h ALA 76 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2ctl h ALA 76 CO 0.00 0.76 -1.12 0.00 0.00 0.00 0.00 179.25 178.90 2ctl h ALA 77 N 1.04 0.57 0.00 0.00 0.00 -0.24 -3.29 119.26 117.34 2ctl h ALA 77 Ca -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 54.91 53.90 2ctl h ALA 77 Cb 1.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2ctl h ALA 77 CO 0.11 1.12 -0.34 0.07 0.00 0.00 0.00 179.25 180.21 2ctl h ARG 78 N 0.00 0.00 -0.47 0.00 -0.00 -0.38 -3.14 114.38 110.39 2ctl h ARG 78 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.83 2ctl h ARG 78 Cb 1.70 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.65 2ctl h ARG 78 CO 0.09 0.34 0.09 0.22 -0.00 0.00 0.00 179.97 180.71 2ctl h ASP 79 N 0.00 0.74 0.42 0.08 3.58 -1.55 -3.20 116.42 116.48 2ctl h ASP 79 Ca -0.00 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2ctl h ASP 79 Cb 0.89 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2ctl h ASP 79 CO 0.04 0.80 -0.38 0.00 -2.88 0.00 0.00 179.24 176.82 2ctl h ALA 80 N 0.97 -0.85 -1.06 -0.78 0.00 -1.68 0.76 119.26 116.62 2ctl h ALA 80 Ca 0.15 -0.14 0.41 0.00 0.00 0.00 0.00 54.91 55.33 2ctl h ALA 80 Cb 0.36 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 2ctl h ALA 80 CO 0.01 -1.02 0.62 -0.89 0.00 0.00 0.00 179.25 177.97 2ctl n ILE 81 N -5.49 -0.34 0.01 0.00 5.41 -1.21 0.49 119.36 118.23 2ctl n ILE 81 Ca -0.11 1.84 -0.19 0.00 1.00 0.00 0.00 62.75 65.29 2ctl n ILE 81 Cb 0.39 -3.00 -0.14 0.00 -0.71 0.00 0.00 39.64 36.18 2ctl n ILE 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ctl h LEU 82 N 0.00 0.34 -1.87 1.39 3.38 -1.42 -3.21 115.31 113.92 2ctl h LEU 82 Ca 0.81 -0.91 0.32 0.00 0.09 0.00 0.00 57.88 58.19 2ctl h LEU 82 Cb 2.30 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.88 2ctl h LEU 82 CO -0.63 1.38 0.80 -0.09 0.09 0.00 0.00 178.44 179.99 2ctl h ARG 83 N -0.50 0.07 0.12 1.13 2.43 0.24 -1.30 114.38 116.58 2ctl h ARG 83 Ca -0.17 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2ctl h ARG 83 Cb 1.54 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2ctl h ARG 83 CO 0.08 0.05 -0.06 0.82 -1.51 0.00 0.00 179.97 179.35 2ctl h ILE 84 N 0.08 0.61 -0.87 1.20 2.04 -1.26 -3.36 117.51 115.95 2ctl h ILE 84 Ca 0.56 -1.21 0.10 0.00 1.00 0.00 0.00 64.86 65.30 2ctl h ILE 84 Cb 2.06 1.09 -0.12 0.00 -0.74 0.00 0.00 36.82 39.11 2ctl h ILE 84 CO -0.07 0.18 -0.53 0.58 0.00 0.00 0.00 178.15 178.32 2ctl h VAL 85 N -0.97 0.01 -1.07 1.67 2.07 -1.25 0.45 116.25 117.16 2ctl h VAL 85 Ca -0.02 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.91 2ctl h VAL 85 Cb 0.43 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 30.06 2ctl h VAL 85 CO 0.03 0.00 0.63 0.61 0.02 0.00 0.00 177.57 178.86 2ctl n GLY 86 N -1.33 -0.73 0.07 2.17 0.00 -0.95 -0.05 105.19 104.37 2ctl n GLY 86 Ca 0.03 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 2ctl n GLY 86 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctl h GLU 87 N 0.00 0.00 -1.06 1.61 5.08 -0.29 -3.30 114.58 116.62 2ctl h GLU 87 Ca 0.79 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 59.48 2ctl h GLU 87 Cb 2.30 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.42 2ctl h GLU 87 CO -0.59 0.94 0.63 -0.07 -1.00 0.00 0.00 179.01 178.93 2ctl h LEU 88 N -1.00 0.47 0.98 1.33 3.38 0.66 -0.70 115.31 120.45 2ctl h LEU 88 Ca -0.00 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2ctl h LEU 88 Cb 0.95 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2ctl h LEU 88 CO -0.00 -0.10 -0.47 -0.08 0.09 0.00 0.00 178.44 177.88 2ctl h GLU 89 N 0.31 -1.27 -1.94 1.13 4.22 -1.31 -2.83 114.58 112.88 2ctl h GLU 89 Ca 0.72 0.09 -0.07 0.00 0.08 0.00 0.00 59.36 60.18 2ctl h GLU 89 Cb 1.77 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 2ctl h GLU 89 CO -0.53 -0.85 0.01 1.04 -2.18 0.00 0.00 179.01 176.51 2ctl n GLN 90 N -5.59 1.24 0.03 1.92 6.02 -0.30 -3.76 117.38 116.93 2ctl n GLN 90 Ca -0.16 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 2ctl n GLN 90 Cb 0.52 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.57 2ctl n GLN 90 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2ctl n MET 91 N 1.47 0.00 -3.35 -1.09 2.81 -0.99 -4.96 117.12 111.01 2ctl n MET 91 Ca 0.10 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.59 2ctl n MET 91 Cb 0.56 -0.43 -0.09 0.00 -0.71 0.00 0.00 33.22 32.56 2ctl n MET 91 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ctl s SER 92 N -5.33 6.29 0.00 7.83 1.04 -1.22 -4.94 113.70 117.37 2ctl s SER 92 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2ctl s SER 92 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2ctl s SER 92 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2ctl n GLY 93 N 4.67 -1.59 3.74 7.32 0.00 -1.26 -4.97 105.19 113.11 2ctl n GLY 93 Ca -0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2ctl n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctl s PRO 94 N 0.00 1.76 -0.06 1.61 0.04 -1.26 -5.05 135.00 132.04 2ctl s PRO 94 Ca 0.00 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 2ctl s PRO 94 Cb 0.00 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2ctl s PRO 94 CO 0.00 -1.94 0.00 -1.12 0.04 0.00 0.00 177.00 173.98 2ctl s SER 95 N -3.40 5.22 -0.03 6.66 0.01 -1.26 -4.81 113.70 116.09 2ctl s SER 95 Ca 0.62 0.10 0.01 0.00 1.31 0.00 0.00 55.95 58.00 2ctl s SER 95 Cb -0.18 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.63 2ctl s SER 95 CO 0.56 0.35 -0.03 -0.94 0.41 0.00 0.00 173.24 173.59 2ctl s SER 96 N -1.09 0.72 0.00 2.44 1.04 -1.26 -5.16 113.70 110.39 2ctl s SER 96 Ca 0.15 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2ctl s SER 96 Cb -0.11 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2ctl s SER 96 CO 0.05 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.84