#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 3.99 0.33 1.61 1.04 -1.26 -5.15 113.70 114.26 2ctl s SER 2 Ca 0.00 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.75 2ctl s SER 2 Cb 0.00 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.52 2ctl s SER 2 CO 0.00 0.06 0.04 -0.44 0.98 0.00 0.00 173.24 173.88 2ctl s SER 3 N -3.19 4.35 0.00 7.02 0.01 -1.26 -5.15 113.70 115.48 2ctl s SER 3 Ca 0.27 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2ctl s SER 3 Cb -0.07 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2ctl s SER 3 CO 0.15 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2ctl n GLY 4 N -0.99 0.09 3.13 3.44 0.00 -1.26 -5.09 105.19 104.52 2ctl n GLY 4 Ca -0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2ctl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctl s SER 5 N -1.00 2.47 -0.11 1.61 0.01 -1.26 -5.04 113.70 110.38 2ctl s SER 5 Ca 0.00 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 2ctl s SER 5 Cb 0.00 -1.14 -0.10 0.00 0.21 0.00 0.00 66.02 64.99 2ctl s SER 5 CO 0.00 0.10 0.32 0.28 0.41 0.00 0.00 173.24 174.35 2ctl h SER 6 N 6.84 -0.01 0.00 2.44 0.02 -2.09 -3.51 113.55 117.24 2ctl h SER 6 Ca -0.25 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2ctl h SER 6 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2ctl h SER 6 CO 0.47 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.44 2ctl n GLY 7 N 1.66 2.32 2.87 -3.77 0.00 -1.26 -5.00 105.19 102.00 2ctl n GLY 7 Ca -0.04 -1.37 -0.47 0.00 0.00 0.00 0.00 46.02 44.14 2ctl n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctl n GLU 8 N 2.21 0.00 -3.57 1.61 1.02 -1.26 -4.92 120.64 115.73 2ctl n GLU 8 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2ctl n GLU 8 Cb 0.00 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2ctl n GLU 8 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2ctl s GLN 9 N -0.13 3.53 -1.63 3.49 0.00 -1.26 -4.35 119.66 119.31 2ctl s GLN 9 Ca 0.71 -0.31 -0.14 0.00 -0.00 0.00 0.00 55.36 55.62 2ctl s GLN 9 Cb -1.00 -2.76 0.12 0.00 0.00 0.00 0.00 33.01 29.37 2ctl s GLN 9 CO 0.47 0.30 0.72 0.39 0.00 0.00 0.00 175.29 177.17 2ctl n GLU 10 N -1.06 -3.34 -0.03 9.60 1.02 -1.26 -4.86 120.64 120.71 2ctl n GLU 10 Ca -0.04 0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 57.34 2ctl n GLU 10 Cb 0.55 -5.00 -0.11 0.00 -0.02 0.00 0.00 31.44 26.86 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ctl h ASP 11 N -1.62 0.20 -1.50 1.62 2.03 -1.97 -2.10 116.42 113.09 2ctl h ASP 11 Ca -0.60 -0.76 0.44 0.00 -0.73 0.00 0.00 57.03 55.39 2ctl h ASP 11 Cb 1.38 -0.06 -0.08 0.00 -0.83 0.00 0.00 39.33 39.74 2ctl h ASP 11 CO 0.74 0.93 1.05 0.08 -1.03 0.00 0.00 179.24 181.02 2ctl h ARG 12 N -0.51 0.05 0.10 4.15 0.11 -1.93 0.34 114.38 116.69 2ctl h ARG 12 Ca -0.02 -0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.69 2ctl h ARG 12 Cb 0.96 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.00 2ctl h ARG 12 CO 0.04 0.03 -2.00 0.00 0.10 0.00 0.00 179.97 178.14 2ctl n ALA 13 N -2.75 0.93 0.03 0.08 0.00 -1.22 -4.13 120.51 113.45 2ctl n ALA 13 Ca 0.35 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 2ctl n ALA 13 Cb 1.55 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.02 -0.19 -1.04 0.00 3.38 0.25 -0.26 115.31 117.43 2ctl h LEU 14 Ca -0.44 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ctl h LEU 14 Cb 1.97 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2ctl h LEU 14 CO 0.05 -0.09 0.09 -2.11 0.09 0.00 0.00 178.44 176.46 2ctl n ARG 15 N -5.19 0.10 -1.53 1.13 1.85 0.51 -1.51 116.66 112.03 2ctl n ARG 15 Ca -0.05 0.59 -0.35 0.00 -1.00 0.00 0.00 57.85 57.04 2ctl n ARG 15 Cb 0.11 -1.92 0.07 0.00 -1.05 0.00 0.00 32.46 29.67 2ctl n ARG 15 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctl n SER 16 N -2.06 7.36 -4.48 2.89 2.88 -0.11 -3.91 113.62 116.19 2ctl n SER 16 Ca -0.01 -3.79 -0.37 0.00 -1.33 0.00 0.00 58.87 53.37 2ctl n SER 16 Cb 0.11 -0.93 -0.12 0.00 -0.75 0.00 0.00 64.21 62.52 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 -3.85 3.12 -0.23 0.66 2.19 -0.57 -5.00 117.98 114.31 2ctl s PHE 17 Ca 0.61 -0.29 -0.07 0.00 0.33 0.00 0.00 56.93 57.50 2ctl s PHE 17 Cb 0.49 -2.28 -0.03 0.00 -1.31 0.00 0.00 43.02 39.89 2ctl s PHE 17 CO -0.09 -0.31 0.07 0.21 1.83 0.00 0.00 175.22 176.93 2ctl s LYS 18 N 1.65 3.76 0.12 10.12 2.20 -1.26 -2.60 119.74 133.73 2ctl s LYS 18 Ca 0.06 -0.44 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2ctl s LYS 18 Cb -0.15 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2ctl s LYS 18 CO 0.06 -0.04 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.79 2ctl s LEU 19 N 1.23 3.27 -0.17 5.43 2.96 -0.12 -4.93 118.68 126.36 2ctl s LEU 19 Ca 0.05 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2ctl s LEU 19 Cb -0.14 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2ctl s LEU 19 CO 0.03 0.15 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.18 2ctl s SER 20 N -2.46 3.04 -0.28 3.68 1.04 -1.25 -1.37 113.70 116.09 2ctl s SER 20 Ca 0.25 -0.71 -0.13 0.00 0.48 0.00 0.00 55.95 55.83 2ctl s SER 20 Cb -0.11 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 2ctl s SER 20 CO 0.17 -0.13 0.28 -0.69 0.98 0.00 0.00 173.24 173.85 2ctl s VAL 21 N 1.49 5.24 -0.58 5.02 1.01 -0.39 -4.81 120.40 127.38 2ctl s VAL 21 Ca 0.01 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 2ctl s VAL 21 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2ctl s VAL 21 CO -0.09 0.18 1.24 -0.89 0.00 0.00 0.00 175.10 175.54 2ctl s THR 22 N 1.91 3.96 -0.20 3.92 2.01 -1.26 -1.27 115.64 124.71 2ctl s THR 22 Ca 0.11 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 62.85 2ctl s THR 22 Cb -0.16 -4.68 0.07 0.00 0.01 0.00 0.00 72.50 67.74 2ctl s THR 22 CO 0.11 -1.32 0.49 -0.69 -0.69 0.00 0.00 174.62 172.52 2ctl s VAL 23 N 5.18 -0.02 0.35 3.82 1.01 0.65 -5.02 120.40 126.36 2ctl s VAL 23 Ca 0.45 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 2ctl s VAL 23 Cb -0.08 -0.72 -0.14 0.00 0.00 0.00 0.00 36.38 35.44 2ctl s VAL 23 CO 0.25 0.03 0.63 0.47 0.00 0.00 0.00 175.10 176.48 2ctl n ASP 24 N 4.28 -0.52 0.00 3.32 9.92 -1.26 -4.29 116.55 128.00 2ctl n ASP 24 Ca -0.22 1.01 0.08 0.00 -0.53 0.00 0.00 54.79 55.12 2ctl n ASP 24 Cb 0.56 -1.12 0.43 0.00 -0.64 0.00 0.00 41.12 40.36 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2ctl n PRO 25 N 0.73 0.39 0.21 -0.24 -0.04 -1.26 -2.49 135.00 132.30 2ctl n PRO 25 Ca 0.12 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 2ctl n PRO 25 Cb 0.35 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.00 0.00 0.54 2.10 -1.91 -3.23 116.57 114.07 2ctl h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ctl h LYS 26 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2ctl h LYS 26 CO 0.00 0.00 -1.38 0.66 -2.00 0.00 0.00 179.45 176.73 2ctl n TYR 27 N -2.92 0.00 -0.38 0.07 4.01 -1.04 -4.56 117.16 112.33 2ctl n TYR 27 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 2ctl n TYR 27 Cb 0.43 -0.22 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 2ctl n TYR 27 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ctl h HIS 28 N 0.00 -1.68 0.00 -0.72 3.86 -1.57 0.74 115.15 115.78 2ctl h HIS 28 Ca 0.00 0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2ctl h HIS 28 Cb 0.47 0.86 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 2ctl h HIS 28 CO 0.00 -0.39 -0.06 -1.00 0.86 0.00 0.00 177.93 177.34 2ctl h PRO 29 N -0.04 0.00 -0.00 2.45 0.13 -1.83 -2.79 132.00 129.92 2ctl h PRO 29 Ca 0.20 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.19 2ctl h PRO 29 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 2ctl h PRO 29 CO -0.92 0.06 -0.64 0.87 -0.23 0.00 0.00 178.00 177.15 2ctl h LYS 30 N 0.00 0.01 0.04 0.86 6.56 0.15 -3.27 116.57 120.92 2ctl h LYS 30 Ca -0.00 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 2ctl h LYS 30 Cb 0.54 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2ctl h LYS 30 CO 0.01 0.65 -0.28 0.82 -2.06 0.00 0.00 179.45 178.58 2ctl h ILE 31 N 0.01 1.65 -1.00 1.86 2.04 -0.69 -3.32 117.51 118.05 2ctl h ILE 31 Ca -0.01 -2.26 0.31 0.00 1.00 0.00 0.00 64.86 63.90 2ctl h ILE 31 Cb 1.13 3.15 -0.18 0.00 -0.74 0.00 0.00 36.82 40.17 2ctl h ILE 31 CO 0.08 0.61 0.14 0.40 0.00 0.00 0.00 178.15 179.39 2ctl h ILE 32 N -0.68 0.01 0.00 -0.67 2.04 -1.58 -3.34 117.51 113.29 2ctl h ILE 32 Ca -0.05 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ctl h ILE 32 Cb 1.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2ctl h ILE 32 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.81 2ctl n GLY 33 N -1.45 2.84 0.05 5.37 0.00 -1.24 -1.69 105.19 109.09 2ctl n GLY 33 Ca 0.27 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2ctl n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctl h ARG 34 N 0.00 -0.02 -0.00 1.61 0.11 -1.88 -3.31 114.38 110.90 2ctl h ARG 34 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ctl h ARG 34 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2ctl h ARG 34 CO 0.00 0.29 -0.54 0.36 0.10 0.00 0.00 179.97 180.17 2ctl n LYS 35 N -4.95 2.28 0.00 0.08 2.85 -1.26 -4.97 118.16 112.18 2ctl n LYS 35 Ca -0.08 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 56.96 2ctl n LYS 35 Cb 0.17 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctl n GLY 36 N 1.25 0.59 0.19 2.58 0.00 -1.25 -4.95 105.19 103.60 2ctl n GLY 36 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 1.00 0.33 4.61 0.00 -1.90 -3.10 119.26 120.20 2ctl h ALA 37 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 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 0.00 -0.16 0.28 0.00 0.00 0.00 179.25 179.37 2ctl h VAL 38 N 0.00 0.00 0.00 0.00 2.07 -1.88 -2.81 116.25 113.63 2ctl h VAL 38 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ctl h VAL 38 Cb 0.86 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2ctl h VAL 38 CO 0.00 0.00 -0.04 -0.29 0.02 0.00 0.00 177.57 177.26 2ctl h ILE 39 N -0.60 0.84 -0.19 4.57 6.09 -1.45 -1.54 117.51 125.24 2ctl h ILE 39 Ca -0.05 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.28 2ctl h ILE 39 Cb 0.34 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2ctl h ILE 39 CO 0.07 0.03 -0.03 0.74 -3.07 0.00 0.00 178.15 175.90 2ctl h THR 40 N 0.00 1.14 -0.13 2.19 2.02 -1.54 -0.06 112.91 116.53 2ctl h THR 40 Ca -0.00 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 2ctl h THR 40 Cb 0.07 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2ctl h THR 40 CO 0.00 0.18 -0.12 -0.61 0.37 0.00 0.00 175.52 175.34 2ctl h GLN 41 N 0.27 0.31 -0.16 6.66 -0.00 -1.00 -3.05 115.11 118.14 2ctl h GLN 41 Ca 0.06 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.52 2ctl h GLN 41 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 2ctl h GLN 41 CO 0.01 0.70 -0.03 0.82 0.00 0.00 0.00 178.83 180.33 2ctl h ILE 42 N -0.07 1.28 -1.06 2.39 2.04 -1.49 -0.98 117.51 119.61 2ctl h ILE 42 Ca 0.02 -0.95 0.28 0.00 1.00 0.00 0.00 64.86 65.21 2ctl h ILE 42 Cb 0.64 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.22 2ctl h ILE 42 CO 0.03 0.28 0.69 0.03 0.00 0.00 0.00 178.15 179.18 2ctl h ARG 43 N 0.00 0.34 0.08 2.37 3.08 -1.07 -0.93 114.38 118.25 2ctl h ARG 43 Ca 0.04 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 2ctl h ARG 43 Cb 0.44 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ctl h ARG 43 CO 0.01 0.22 -0.77 -0.07 -1.07 0.00 0.00 179.97 178.30 2ctl h LEU 44 N 0.35 0.28 -0.92 3.04 3.38 -1.40 0.13 115.31 120.16 2ctl h LEU 44 Ca 0.61 -0.90 0.10 0.00 0.09 0.00 0.00 57.88 57.78 2ctl h LEU 44 Cb 1.61 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.15 2ctl h LEU 44 CO -0.29 1.35 -0.52 -0.08 0.09 0.00 0.00 178.44 178.99 2ctl h GLU 45 N -0.59 -0.05 0.00 1.13 4.57 0.21 0.23 114.58 120.09 2ctl h GLU 45 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2ctl h GLU 45 Cb 1.46 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 2ctl h GLU 45 CO 0.05 -0.03 -0.54 0.72 -1.18 0.00 0.00 179.01 178.03 2ctl n HIS 46 N -5.33 0.11 -3.30 0.92 -0.00 -0.94 -4.96 115.22 101.73 2ctl n HIS 46 Ca 0.04 0.03 -0.17 0.00 -0.00 0.00 0.00 57.72 57.62 2ctl n HIS 46 Cb 0.31 -0.34 0.06 0.00 -0.00 0.00 0.00 29.99 30.02 2ctl n HIS 46 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2ctl n ASP 47 N -1.64 -4.85 -4.71 0.41 2.03 0.82 -4.84 116.55 103.77 2ctl n ASP 47 Ca 0.05 -0.42 -0.29 0.00 0.52 0.00 0.00 54.79 54.65 2ctl n ASP 47 Cb 0.36 -3.95 -0.08 0.00 -0.72 0.00 0.00 41.12 36.73 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ctl s VAL 48 N -3.25 1.76 -0.22 5.18 -7.23 0.32 -4.91 120.40 112.06 2ctl s VAL 48 Ca 0.38 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2ctl s VAL 48 Cb -0.17 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 2ctl s VAL 48 CO 0.55 0.00 -0.01 0.21 -0.31 0.00 0.00 175.10 175.54 2ctl s ASN 49 N -3.85 4.60 -0.22 4.85 2.47 -0.37 -4.63 114.94 117.79 2ctl s ASN 49 Ca 0.27 -0.31 -0.03 0.00 0.42 0.00 0.00 52.86 53.21 2ctl s ASN 49 Cb 0.05 -1.80 0.01 0.00 -1.45 0.00 0.00 41.25 38.06 2ctl s ASN 49 CO 0.14 -0.01 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.81 2ctl s ILE 50 N 1.41 3.03 -0.01 -5.21 1.01 -1.26 -0.95 121.20 119.21 2ctl s ILE 50 Ca 0.05 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2ctl s ILE 50 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 2ctl s ILE 50 CO -0.00 0.39 -0.15 -1.58 0.00 0.00 0.00 174.94 173.59 2ctl s GLN 51 N 1.41 1.21 0.09 2.79 2.00 -0.51 -5.04 119.66 121.61 2ctl s GLN 51 Ca 0.04 -0.53 0.04 0.00 -2.00 0.00 0.00 55.36 52.91 2ctl s GLN 51 Cb -0.15 -1.17 -0.04 0.00 0.80 0.00 0.00 33.01 32.45 2ctl s GLN 51 CO -0.05 0.32 0.07 -0.06 -0.50 0.00 0.00 175.29 175.06 2ctl s PHE 52 N -0.34 3.14 0.87 1.67 0.40 -1.26 -1.99 117.98 120.48 2ctl s PHE 52 Ca 0.05 0.05 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 2ctl s PHE 52 Cb -0.06 -1.59 0.11 0.00 0.51 0.00 0.00 43.02 41.99 2ctl s PHE 52 CO -0.01 0.51 1.09 -1.25 0.70 0.00 0.00 175.22 176.27 2ctl s PRO 53 N -2.45 1.49 -0.15 0.24 0.04 -1.26 -4.99 135.00 127.91 2ctl s PRO 53 Ca 0.29 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 2ctl s PRO 53 Cb -0.12 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2ctl s PRO 53 CO 0.21 -2.10 -0.08 0.34 0.04 0.00 0.00 177.00 175.41 2ctl s ASP 54 N -3.43 4.37 0.25 6.66 2.15 -1.26 -4.97 116.67 120.44 2ctl s ASP 54 Ca 0.63 -0.24 -0.05 0.00 0.43 0.00 0.00 52.55 53.31 2ctl s ASP 54 Cb -0.18 -1.69 0.28 0.00 -0.30 0.00 0.00 42.92 41.03 2ctl s ASP 54 CO 0.57 0.16 1.92 0.07 -0.17 0.00 0.00 175.17 177.71 2ctl h LYS 55 N 6.79 1.30 -0.79 4.34 2.10 -1.96 -2.33 116.57 126.02 2ctl h LYS 55 Ca -0.29 -0.08 0.14 0.00 -2.00 0.00 0.00 60.65 58.42 2ctl h LYS 55 Cb 1.20 -0.29 -0.09 0.00 -0.90 0.00 0.00 32.23 32.15 2ctl h LYS 55 CO 0.59 0.86 0.37 0.22 -2.00 0.00 0.00 179.45 179.49 2ctl h ASP 56 N 1.34 0.41 0.09 7.07 1.82 -1.99 -2.81 116.42 122.35 2ctl h ASP 56 Ca 0.38 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 2ctl h ASP 56 Cb -0.11 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 2ctl h ASP 56 CO -0.09 0.17 -0.18 -0.78 -1.61 0.00 0.00 179.24 176.75 2ctl h ASP 57 N 0.54 -0.52 0.00 2.28 1.82 -1.81 -3.46 116.42 115.27 2ctl h ASP 57 Ca 0.43 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 2ctl h ASP 57 Cb 0.61 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.80 2ctl h ASP 57 CO -0.37 -0.20 0.00 0.61 -1.61 0.00 0.00 179.24 177.67 2ctl n GLY 58 N -1.17 2.03 0.64 -0.78 0.00 -1.06 -4.67 105.19 100.18 2ctl n GLY 58 Ca -0.03 -0.41 0.50 0.00 0.00 0.00 0.00 46.02 46.07 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 0.06 -3.48 1.61 -0.26 -1.91 -3.38 115.58 108.22 2ctl h ASN 59 Ca 0.00 0.05 -0.52 0.00 -0.56 0.00 0.00 56.30 55.26 2ctl h ASN 59 Cb 0.00 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2ctl h ASN 59 CO 0.00 -0.08 -0.06 -1.10 -1.06 0.00 0.00 177.43 175.13 2ctl s GLN 60 N -4.98 3.81 0.08 0.81 -0.21 -1.26 -5.04 119.66 112.86 2ctl s GLN 60 Ca -0.06 0.32 -0.31 0.00 0.02 0.00 0.00 55.36 55.33 2ctl s GLN 60 Cb 0.28 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.63 2ctl s GLN 60 CO 0.88 0.24 1.39 -1.25 -2.12 0.00 0.00 175.29 174.43 2ctl s PRO 61 N -3.04 4.31 0.12 2.91 0.04 -1.26 -4.92 135.00 133.17 2ctl s PRO 61 Ca 0.48 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.79 2ctl s PRO 61 Cb -0.11 -3.36 0.23 0.00 0.04 0.00 0.00 34.50 31.31 2ctl s PRO 61 CO 0.23 -0.47 1.22 1.96 0.04 0.00 0.00 177.00 179.98 2ctl h GLN 62 N 7.15 0.00 0.00 4.56 1.08 -1.91 -3.31 115.11 122.68 2ctl h GLN 62 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2ctl h GLN 62 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2ctl h GLN 62 CO 0.87 0.00 -1.08 -0.40 -0.95 0.00 0.00 178.83 177.28 2ctl n ASP 63 N -2.18 0.61 -4.80 1.46 5.68 -1.26 -4.05 116.55 112.01 2ctl n ASP 63 Ca 0.02 -0.25 -0.38 0.00 -0.50 0.00 0.00 54.79 53.68 2ctl n ASP 63 Cb 0.46 0.87 -0.06 0.00 -1.14 0.00 0.00 41.12 41.25 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2ctl s GLN 64 N -3.20 4.13 -0.20 0.11 -1.52 -1.25 -0.26 119.66 117.48 2ctl s GLN 64 Ca 0.03 0.55 -0.03 0.00 -1.95 0.00 0.00 55.36 53.97 2ctl s GLN 64 Cb 0.14 -3.29 -0.00 0.00 -0.22 0.00 0.00 33.01 29.64 2ctl s GLN 64 CO 0.81 0.53 -0.08 0.42 -0.25 0.00 0.00 175.29 176.72 2ctl s ILE 65 N -0.62 3.10 0.12 1.08 1.01 -0.40 -4.23 121.20 121.26 2ctl s ILE 65 Ca 0.26 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.05 2ctl s ILE 65 Cb -0.17 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 2ctl s ILE 65 CO 0.15 0.46 0.84 -0.89 0.00 0.00 0.00 174.94 175.49 2ctl s THR 66 N 1.31 4.49 -0.10 2.92 2.01 -0.84 -1.26 115.64 124.17 2ctl s THR 66 Ca 0.04 1.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.82 2ctl s THR 66 Cb -0.14 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.22 2ctl s THR 66 CO -0.04 0.42 0.13 -0.63 -0.69 0.00 0.00 174.62 173.81 2ctl s ILE 67 N -0.50 -0.20 0.03 1.82 1.01 -0.47 -1.43 121.20 121.46 2ctl s ILE 67 Ca 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 2ctl s ILE 67 Cb -0.23 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2ctl s ILE 67 CO 0.27 0.06 0.18 -0.89 0.00 0.00 0.00 174.94 174.55 2ctl s THR 68 N 2.24 5.29 0.00 2.92 2.01 -0.13 -0.94 115.64 127.03 2ctl s THR 68 Ca 0.04 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2ctl s THR 68 Cb -0.13 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2ctl s THR 68 CO -0.06 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2ctl n GLY 69 N 0.60 2.35 3.67 4.40 0.00 -1.07 -1.23 105.19 113.90 2ctl n GLY 69 Ca -0.08 -1.83 -0.58 0.00 0.00 0.00 0.00 46.02 43.53 2ctl n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ctl n TYR 70 N -1.97 1.74 -0.59 1.61 4.02 -1.26 -4.00 117.16 116.72 2ctl n TYR 70 Ca 0.00 0.70 0.45 0.00 -0.01 0.00 0.00 57.90 59.04 2ctl n TYR 70 Cb 0.00 -2.36 0.69 0.00 -0.02 0.00 0.00 39.34 37.65 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2ctl n GLU 71 N 4.07 0.00 -0.06 -0.72 2.13 -1.26 -0.27 120.64 124.54 2ctl n GLU 71 Ca 0.24 0.93 -0.02 0.00 0.66 0.00 0.00 57.16 58.98 2ctl n GLU 71 Cb 0.11 -2.17 -0.01 0.00 0.27 0.00 0.00 31.44 29.65 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 0.00 -1.00 5.31 1.79 -1.95 -3.29 116.57 117.44 2ctl h LYS 72 Ca 0.79 0.00 0.29 0.00 -2.18 0.00 0.00 60.65 59.55 2ctl h LYS 72 Cb 3.24 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 33.85 2ctl h LYS 72 CO -0.01 0.00 0.76 -0.91 -1.08 0.00 0.00 179.45 178.21 2ctl h ASN 73 N -0.95 0.00 0.54 0.86 4.21 -0.96 -1.82 115.58 117.45 2ctl h ASN 73 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2ctl h ASN 73 Cb 0.23 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.43 2ctl h ASN 73 CO 0.00 0.00 -0.26 0.71 -1.29 0.00 0.00 177.43 176.59 2ctl h THR 74 N 0.00 0.00 -0.87 2.81 1.35 -0.79 -3.08 112.91 112.34 2ctl h THR 74 Ca 0.47 -0.19 0.16 0.00 -0.55 0.00 0.00 66.41 66.31 2ctl h THR 74 Cb 2.00 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 68.26 2ctl h THR 74 CO -0.00 0.00 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.67 2ctl h GLU 75 N -0.91 -0.02 -1.03 4.72 5.08 -1.40 1.06 114.58 122.09 2ctl h GLU 75 Ca -0.07 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.55 2ctl h GLU 75 Cb 0.55 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2ctl h GLU 75 CO 0.12 -0.01 0.68 0.00 -1.00 0.00 0.00 179.01 178.80 2ctl h ALA 76 N 1.69 2.36 0.10 3.43 0.00 -1.54 0.29 119.26 125.59 2ctl h ALA 76 Ca 0.39 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 2ctl h ALA 76 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ctl h ALA 76 CO -0.89 -0.73 -1.07 0.00 0.00 0.00 0.00 179.25 176.55 2ctl h ALA 77 N 1.59 0.10 0.00 0.00 0.00 0.11 -3.33 119.26 117.72 2ctl h ALA 77 Ca 0.56 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ctl h ALA 77 Cb 1.55 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2ctl h ALA 77 CO -0.23 0.60 -0.00 0.07 0.00 0.00 0.00 179.25 179.69 2ctl h ARG 78 N -0.48 0.00 -0.15 0.00 -0.00 0.61 -0.95 114.38 113.41 2ctl h ARG 78 Ca -0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.67 2ctl h ARG 78 Cb 1.59 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.55 2ctl h ARG 78 CO 0.05 0.00 -0.25 0.22 -0.00 0.00 0.00 179.97 179.99 2ctl h ASP 79 N 0.00 0.27 0.03 0.08 1.82 -0.58 -3.12 116.42 114.92 2ctl h ASP 79 Ca -0.00 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2ctl h ASP 79 Cb 0.00 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2ctl h ASP 79 CO 0.00 0.53 -0.01 0.00 -1.61 0.00 0.00 179.24 178.15 2ctl h ALA 80 N 1.49 -0.04 -1.16 -0.78 0.00 -1.30 -1.80 119.26 115.67 2ctl h ALA 80 Ca 0.04 -0.23 0.34 0.00 0.00 0.00 0.00 54.91 55.06 2ctl h ALA 80 Cb 0.58 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 2ctl h ALA 80 CO 0.04 -0.29 0.74 0.82 0.00 0.00 0.00 179.25 180.57 2ctl h ILE 81 N -0.51 0.34 0.02 0.00 2.04 -1.50 -1.07 117.51 116.83 2ctl h ILE 81 Ca -0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ctl h ILE 81 Cb 0.48 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ctl h ILE 81 CO 0.01 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 178.12 2ctl h LEU 82 N 0.25 -0.02 -0.97 1.44 3.38 -1.53 -3.06 115.31 114.80 2ctl h LEU 82 Ca 0.70 -0.12 0.40 0.00 0.09 0.00 0.00 57.88 58.95 2ctl h LEU 82 Cb 1.98 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 42.56 2ctl h LEU 82 CO -0.36 0.53 0.51 -1.14 0.09 0.00 0.00 178.44 178.07 2ctl n ARG 83 N -4.78 -0.06 0.14 1.13 0.63 -0.69 -0.13 116.66 112.92 2ctl n ARG 83 Ca -0.02 1.34 -0.12 0.00 -0.92 0.00 0.00 57.85 58.14 2ctl n ARG 83 Cb 0.07 -2.41 -0.07 0.00 0.45 0.00 0.00 32.46 30.50 2ctl n ARG 83 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2ctl h ILE 84 N 0.00 0.61 -0.64 5.15 2.04 -1.34 -3.30 117.51 120.03 2ctl h ILE 84 Ca 0.82 -0.74 0.08 0.00 1.00 0.00 0.00 64.86 66.03 2ctl h ILE 84 Cb 2.16 0.94 -0.11 0.00 -0.74 0.00 0.00 36.82 39.08 2ctl h ILE 84 CO -0.75 0.13 -0.49 0.58 0.00 0.00 0.00 178.15 177.61 2ctl h VAL 85 N -0.87 0.04 -0.99 1.67 2.07 -0.41 0.15 116.25 117.92 2ctl h VAL 85 Ca -0.04 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.84 2ctl h VAL 85 Cb 0.52 0.04 -0.18 0.00 -1.52 0.00 0.00 31.29 30.15 2ctl h VAL 85 CO 0.07 0.00 0.36 0.61 0.02 0.00 0.00 177.57 178.63 2ctl n GLY 86 N -1.37 -0.94 0.26 2.17 0.00 -0.70 -0.84 105.19 103.76 2ctl n GLY 86 Ca 0.01 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.56 -1.46 1.61 5.08 -0.79 -3.13 114.58 115.32 2ctl h GLU 87 Ca 0.76 0.04 0.46 0.00 -1.00 0.00 0.00 59.36 59.62 2ctl h GLU 87 Cb 1.89 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 31.17 2ctl h GLU 87 CO -0.82 -0.29 1.01 1.28 -1.00 0.00 0.00 179.01 179.19 2ctl n LEU 88 N -5.18 0.09 0.17 1.33 4.77 -0.02 0.60 117.00 118.76 2ctl n LEU 88 Ca -0.09 1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.82 2ctl n LEU 88 Cb 0.27 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2ctl n LEU 88 CO 0.23 -1.09 0.37 -0.33 -1.33 0.00 0.00 177.39 175.24 2ctl h GLU 89 N 0.00 -0.46 -0.40 3.23 4.39 -1.39 -3.31 114.58 116.64 2ctl h GLU 89 Ca 0.79 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.61 2ctl h GLU 89 Cb 2.88 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 31.55 2ctl h GLU 89 CO -0.21 -0.16 -0.23 1.96 -1.16 0.00 0.00 179.01 179.21 2ctl h GLN 90 N -0.99 -0.15 -7.32 2.33 7.50 0.19 -3.40 115.11 113.27 2ctl h GLN 90 Ca -0.05 0.01 -0.43 0.00 0.50 0.00 0.00 58.65 58.68 2ctl h GLN 90 Cb 0.51 0.03 0.18 0.00 0.05 0.00 0.00 27.48 28.26 2ctl h GLN 90 CO 0.08 -0.10 0.13 0.00 -1.50 0.00 0.00 178.83 177.44 2ctl s MET 91 N -6.11 -0.57 -1.57 1.46 0.23 -0.73 -3.68 119.30 108.33 2ctl s MET 91 Ca -0.14 0.31 -0.11 0.00 -1.03 0.00 0.00 55.69 54.72 2ctl s MET 91 Cb 0.14 -1.64 0.11 0.00 -1.53 0.00 0.00 34.83 31.92 2ctl s MET 91 CO 0.70 -3.36 0.28 0.43 -2.03 0.00 0.00 175.02 171.04 2ctl n SER 92 N -4.58 -0.44 -4.41 -1.18 7.64 -1.26 -4.90 113.62 104.48 2ctl n SER 92 Ca 0.08 -1.15 -0.21 0.00 1.01 0.00 0.00 58.87 58.60 2ctl n SER 92 Cb 0.58 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.34 2ctl n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 93 N -1.70 2.59 3.77 0.23 0.00 -1.24 -5.05 105.19 103.78 2ctl n GLY 93 Ca -0.09 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.98 2.36 -0.14 1.61 0.04 -1.26 -5.03 135.00 128.59 2ctl s PRO 94 Ca 0.33 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 2ctl s PRO 94 Cb -0.03 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2ctl s PRO 94 CO 0.21 -1.57 0.22 0.45 0.04 0.00 0.00 177.00 176.35 2ctl s SER 95 N -3.27 6.41 0.32 6.66 0.15 -1.26 -5.09 113.70 117.62 2ctl s SER 95 Ca 0.62 0.48 -0.06 0.00 0.70 0.00 0.00 55.95 57.69 2ctl s SER 95 Cb -0.18 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 2ctl s SER 95 CO 0.54 0.24 0.60 -0.55 1.20 0.00 0.00 173.24 175.27 2ctl s SER 96 N -0.18 6.46 0.00 5.45 0.15 -1.26 -5.34 113.70 118.98 2ctl s SER 96 Ca 0.15 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2ctl s SER 96 Cb -0.13 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2ctl s SER 96 CO 0.04 -0.25 0.51 0.61 1.20 0.00 0.00 173.24 175.35