#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 1.14 -0.55 1.61 1.04 -1.26 -5.06 113.70 110.62 2ctl s SER 2 Ca 0.00 -1.34 0.02 0.00 0.48 0.00 0.00 55.95 55.11 2ctl s SER 2 Cb 0.00 0.16 0.44 0.00 0.10 0.00 0.00 66.02 66.72 2ctl s SER 2 CO 0.00 -0.70 1.67 -1.20 0.98 0.00 0.00 173.24 173.99 2ctl n SER 3 N -0.41 6.49 -1.23 7.02 7.64 -1.26 -4.91 113.62 126.97 2ctl n SER 3 Ca -0.01 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.09 2ctl n SER 3 Cb 0.66 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2ctl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 4 N -0.75 -0.51 0.19 0.23 0.00 -1.26 -5.01 105.19 98.08 2ctl n GLY 4 Ca 0.53 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 2ctl n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ctl h SER 5 N 0.00 0.88 -1.89 1.61 0.02 -2.02 -3.33 113.55 108.83 2ctl h SER 5 Ca 0.00 -0.74 -0.77 0.00 -0.84 0.00 0.00 61.79 59.44 2ctl h SER 5 Cb 0.00 -0.27 -0.23 0.00 0.14 0.00 0.00 62.40 62.04 2ctl h SER 5 CO 0.00 1.50 1.35 -1.20 -1.14 0.00 0.00 176.83 177.35 2ctl n SER 6 N -3.89 7.52 -3.96 3.07 7.64 -1.26 -4.93 113.62 117.79 2ctl n SER 6 Ca -0.11 -3.55 -0.21 0.00 1.01 0.00 0.00 58.87 56.01 2ctl n SER 6 Cb 0.86 -1.21 -0.16 0.00 -1.01 0.00 0.00 64.21 62.69 2ctl n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctl s GLY 7 N -0.80 0.56 0.36 0.23 0.00 -1.25 -5.15 107.32 101.26 2ctl s GLY 7 Ca 0.45 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.97 2ctl s GLY 7 CO -0.16 0.17 0.10 -0.54 0.00 0.00 0.00 173.10 172.67 2ctl s GLU 8 N 0.59 1.75 0.05 2.90 8.01 -1.26 -5.12 118.70 125.62 2ctl s GLU 8 Ca -0.09 -2.02 -0.05 0.00 0.01 0.00 0.00 54.97 52.81 2ctl s GLU 8 Cb -0.13 -0.68 -0.02 0.00 -4.31 0.00 0.00 34.13 29.00 2ctl s GLU 8 CO 0.01 -0.34 0.09 -0.65 0.01 0.00 0.00 175.26 174.38 2ctl s GLN 9 N -3.83 0.64 -0.37 1.61 1.11 -1.26 -5.13 119.66 112.44 2ctl s GLN 9 Ca 0.31 -0.89 0.02 0.00 0.01 0.00 0.00 55.36 54.81 2ctl s GLN 9 Cb 0.06 0.25 0.11 0.00 -1.01 0.00 0.00 33.01 32.41 2ctl s GLN 9 CO 0.15 -0.16 0.11 -2.00 0.01 0.00 0.00 175.29 173.40 2ctl s GLU 10 N -3.12 1.29 -0.17 2.91 2.12 -1.26 -4.94 118.70 115.53 2ctl s GLU 10 Ca -0.01 -1.75 0.01 0.00 0.36 0.00 0.00 54.97 53.58 2ctl s GLU 10 Cb 0.02 -2.76 -0.22 0.00 0.26 0.00 0.00 34.13 31.43 2ctl s GLU 10 CO -0.07 -1.00 0.14 -0.40 -0.54 0.00 0.00 175.26 173.39 2ctl n ASP 11 N 4.20 1.77 -0.29 -1.70 5.68 -1.26 -3.84 116.55 121.11 2ctl n ASP 11 Ca 0.03 0.08 0.31 0.00 -0.50 0.00 0.00 54.79 54.71 2ctl n ASP 11 Cb 0.40 -0.45 0.69 0.00 -1.14 0.00 0.00 41.12 40.62 2ctl n ASP 11 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2ctl h ARG 12 N 0.03 0.08 0.18 0.11 0.11 -1.99 0.15 114.38 113.06 2ctl h ARG 12 Ca -0.48 -0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.30 2ctl h ARG 12 Cb 2.00 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 33.08 2ctl h ARG 12 CO 0.02 0.05 -1.37 0.00 0.10 0.00 0.00 179.97 178.77 2ctl h ALA 13 N 1.49 0.00 -0.93 0.08 0.00 -1.95 -3.06 119.26 114.90 2ctl h ALA 13 Ca 0.54 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ctl h ALA 13 Cb 1.98 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 2ctl h ALA 13 CO -0.07 0.72 0.55 -0.07 0.00 0.00 0.00 179.25 180.38 2ctl h LEU 14 N -0.09 1.12 -0.67 0.00 3.38 -0.93 -1.39 115.31 116.73 2ctl h LEU 14 Ca -0.26 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2ctl h LEU 14 Cb 1.94 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2ctl h LEU 14 CO 0.17 0.87 0.00 0.08 0.09 0.00 0.00 178.44 179.65 2ctl h ARG 15 N 1.28 0.00 -1.29 1.13 0.11 -0.99 -3.18 114.38 111.44 2ctl h ARG 15 Ca 0.33 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.92 2ctl h ARG 15 Cb -0.04 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 30.83 2ctl h ARG 15 CO -0.06 0.00 0.63 -1.13 0.10 0.00 0.00 179.97 179.51 2ctl n SER 16 N -2.92 7.06 -4.41 0.08 3.41 -0.52 -3.84 113.62 112.47 2ctl n SER 16 Ca 0.03 -3.40 -0.37 0.00 -0.26 0.00 0.00 58.87 54.86 2ctl n SER 16 Cb 0.40 -1.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.20 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2ctl s PHE 17 N -2.76 3.12 -0.26 7.33 2.19 -1.20 -4.99 117.98 121.42 2ctl s PHE 17 Ca 0.47 -0.62 -0.09 0.00 0.33 0.00 0.00 56.93 57.02 2ctl s PHE 17 Cb 0.37 -2.27 -0.04 0.00 -1.31 0.00 0.00 43.02 39.77 2ctl s PHE 17 CO -0.01 -0.45 0.11 0.21 1.83 0.00 0.00 175.22 176.91 2ctl s LYS 18 N 1.58 3.77 0.05 10.12 2.20 -1.26 -2.87 119.74 133.33 2ctl s LYS 18 Ca 0.05 -0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2ctl s LYS 18 Cb -0.16 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2ctl s LYS 18 CO 0.04 -0.17 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.68 2ctl s LEU 19 N 1.61 3.41 -0.19 5.43 2.96 0.70 -4.92 118.68 127.69 2ctl s LEU 19 Ca 0.06 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2ctl s LEU 19 Cb -0.15 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.51 2ctl s LEU 19 CO 0.06 0.22 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.83 2ctl s SER 20 N -1.97 3.08 -0.08 3.68 0.01 -1.25 -0.55 113.70 116.62 2ctl s SER 20 Ca 0.23 -0.81 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 2ctl s SER 20 Cb -0.12 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.16 2ctl s SER 20 CO 0.14 -0.22 0.48 -0.69 0.41 0.00 0.00 173.24 173.36 2ctl s VAL 21 N 1.62 5.12 -0.80 3.43 1.01 -0.32 -4.80 120.40 125.66 2ctl s VAL 21 Ca -0.01 0.96 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 2ctl s VAL 21 Cb -0.16 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.53 2ctl s VAL 21 CO -0.07 0.39 0.96 -0.89 0.00 0.00 0.00 175.10 175.49 2ctl s THR 22 N 0.16 4.80 -0.02 3.92 2.01 -1.26 -1.03 115.64 124.23 2ctl s THR 22 Ca 0.26 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.89 2ctl s THR 22 Cb -0.16 -4.66 0.02 0.00 0.01 0.00 0.00 72.50 67.71 2ctl s THR 22 CO 0.12 -1.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.00 2ctl s VAL 23 N 2.56 0.19 0.38 3.82 1.01 0.50 -5.01 120.40 123.84 2ctl s VAL 23 Ca 0.24 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2ctl s VAL 23 Cb -0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 36.38 35.88 2ctl s VAL 23 CO -0.03 0.12 0.68 0.47 0.00 0.00 0.00 175.10 176.34 2ctl n ASP 24 N 3.77 -0.27 0.00 3.32 8.00 -1.26 -4.10 116.55 126.01 2ctl n ASP 24 Ca -0.23 0.99 0.08 0.00 0.71 0.00 0.00 54.79 56.35 2ctl n ASP 24 Cb 0.53 -1.16 0.43 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.60 0.40 0.08 -0.24 -0.04 -1.26 -2.55 135.00 131.98 2ctl n PRO 25 Ca 0.12 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2ctl n PRO 25 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.19 0.00 0.54 2.10 -1.92 -3.30 116.57 114.18 2ctl h LYS 26 Ca 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2ctl h LYS 26 Cb 0.05 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2ctl h LYS 26 CO 0.00 1.11 -0.81 1.88 -2.00 0.00 0.00 179.45 179.63 2ctl h TYR 27 N 0.05 0.00 -0.29 0.07 0.05 -1.85 -3.39 116.97 111.61 2ctl h TYR 27 Ca -0.14 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.68 2ctl h TYR 27 Cb 1.94 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.61 2ctl h TYR 27 CO 0.05 0.00 -0.55 0.45 -1.05 0.00 0.00 178.16 177.06 2ctl h HIS 28 N 0.00 -1.66 0.00 4.88 3.86 -1.63 0.35 115.15 120.95 2ctl h HIS 28 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctl h HIS 28 Cb 0.89 0.76 0.00 0.00 1.06 0.00 0.00 27.41 30.12 2ctl h HIS 28 CO 0.00 -0.51 0.00 -0.35 0.86 0.00 0.00 177.93 177.93 2ctl n PRO 29 N -5.37 0.20 0.04 2.45 -0.04 -1.26 -2.13 135.00 128.89 2ctl n PRO 29 Ca -0.05 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2ctl n PRO 29 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.30 0.63 0.02 0.54 4.76 0.10 -4.15 118.16 118.77 2ctl n LYS 30 Ca 0.07 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.43 2ctl n LYS 30 Cb 0.12 -1.73 -0.14 0.00 -1.84 0.00 0.00 35.03 31.44 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 0.94 0.11 -0.18 2.04 -0.45 -3.37 117.51 116.60 2ctl h ILE 31 Ca -0.10 -2.66 0.02 0.00 1.00 0.00 0.00 64.86 63.12 2ctl h ILE 31 Cb 1.29 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.93 2ctl h ILE 31 CO 0.02 0.76 -0.32 0.40 0.00 0.00 0.00 178.15 179.00 2ctl h ILE 32 N 0.05 0.31 0.00 -0.67 2.04 -1.69 -3.30 117.51 114.24 2ctl h ILE 32 Ca -0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2ctl h ILE 32 Cb 2.01 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2ctl h ILE 32 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.88 2ctl n GLY 33 N -1.42 1.98 0.00 5.37 0.00 -1.26 -2.56 105.19 107.30 2ctl n GLY 33 Ca -0.07 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2ctl n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctl n ARG 34 N 0.94 0.00 -0.23 1.61 0.00 -1.26 -2.73 116.66 114.98 2ctl n ARG 34 Ca 0.00 0.58 0.04 0.00 -0.00 0.00 0.00 57.85 58.47 2ctl n ARG 34 Cb 0.00 -1.49 0.14 0.00 0.00 0.00 0.00 32.46 31.11 2ctl n ARG 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2ctl n LYS 35 N -2.15 2.02 -1.79 -0.14 4.81 -1.26 -4.86 118.16 114.78 2ctl n LYS 35 Ca 0.00 -1.08 -0.20 0.00 -0.87 0.00 0.00 58.31 56.16 2ctl n LYS 35 Cb 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctl n GLY 36 N 0.62 1.25 0.09 3.14 0.00 -1.11 -4.86 105.19 104.32 2ctl n GLY 36 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.26 0.36 0.09 4.61 0.00 -1.86 -3.15 119.26 119.57 2ctl h ALA 37 Ca -0.42 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 53.63 2ctl h ALA 37 Cb 1.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ctl h ALA 37 CO 0.58 1.11 -0.06 0.28 0.00 0.00 0.00 179.25 181.16 2ctl h VAL 38 N 0.03 0.00 -0.93 0.00 2.07 -1.85 0.24 116.25 115.82 2ctl h VAL 38 Ca -0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.65 2ctl h VAL 38 Cb 1.73 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 2ctl h VAL 38 CO 0.14 0.00 0.52 -0.29 0.02 0.00 0.00 177.57 177.96 2ctl h ILE 39 N -0.14 0.71 0.11 4.57 6.09 -1.57 -1.74 117.51 125.54 2ctl h ILE 39 Ca -0.01 -0.23 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 2ctl h ILE 39 Cb 0.11 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 37.34 2ctl h ILE 39 CO 0.01 0.12 -0.19 0.74 -3.07 0.00 0.00 178.15 175.77 2ctl h THR 40 N 0.68 0.58 -1.06 2.19 2.02 -1.48 0.12 112.91 115.96 2ctl h THR 40 Ca 0.52 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.99 2ctl h THR 40 Cb 0.79 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 67.69 2ctl h THR 40 CO -0.38 0.00 0.70 -0.61 0.37 0.00 0.00 175.52 175.60 2ctl h GLN 41 N -0.36 0.31 0.11 6.66 5.75 -0.02 0.23 115.11 127.80 2ctl h GLN 41 Ca 0.02 -0.02 -0.28 0.00 -0.15 0.00 0.00 58.65 58.22 2ctl h GLN 41 Cb 0.38 -0.07 0.02 0.00 1.07 0.00 0.00 27.48 28.87 2ctl h GLN 41 CO -0.10 0.21 -1.21 0.82 -2.65 0.00 0.00 178.83 175.90 2ctl h ILE 42 N 0.32 1.36 -0.74 2.39 2.04 -1.14 -1.70 117.51 120.03 2ctl h ILE 42 Ca 0.59 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.82 2ctl h ILE 42 Cb 1.64 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 40.42 2ctl h ILE 42 CO -0.25 0.79 0.48 0.03 0.00 0.00 0.00 178.15 179.20 2ctl h ARG 43 N 0.20 0.98 0.17 2.37 3.08 0.14 -2.34 114.38 118.98 2ctl h ARG 43 Ca -0.16 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.56 2ctl h ARG 43 Cb 1.89 -0.22 0.02 0.00 0.08 0.00 0.00 29.97 31.74 2ctl h ARG 43 CO 0.22 0.66 -1.24 -0.07 -1.07 0.00 0.00 179.97 178.47 2ctl h LEU 44 N 1.01 0.57 -0.38 3.04 3.38 -1.28 0.48 115.31 122.13 2ctl h LEU 44 Ca 0.27 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.40 2ctl h LEU 44 Cb -0.10 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 2ctl h LEU 44 CO -0.06 1.58 -0.32 -0.08 0.09 0.00 0.00 178.44 179.65 2ctl h GLU 45 N -0.17 -0.24 -0.01 1.13 4.57 -1.10 0.51 114.58 119.27 2ctl h GLU 45 Ca -0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2ctl h GLU 45 Cb 1.86 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 2ctl h GLU 45 CO 0.17 -0.16 -0.17 0.72 -1.18 0.00 0.00 179.01 178.38 2ctl n HIS 46 N -5.41 0.00 -3.57 0.92 8.25 -0.90 -4.94 115.22 109.56 2ctl n HIS 46 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 2ctl n HIS 46 Cb 0.33 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.42 2ctl n HIS 46 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ctl n ASP 47 N -0.53 -5.91 -4.61 0.41 2.03 0.17 -4.78 116.55 103.33 2ctl n ASP 47 Ca 0.14 -0.55 -0.28 0.00 0.52 0.00 0.00 54.79 54.62 2ctl n ASP 47 Cb 0.33 -5.02 -0.10 0.00 -0.72 0.00 0.00 41.12 35.61 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 -3.32 1.58 -0.20 5.18 -7.23 0.16 -4.87 120.40 111.70 2ctl s VAL 48 Ca 0.52 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2ctl s VAL 48 Cb -0.23 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2ctl s VAL 48 CO 0.73 0.00 -0.11 0.21 -0.31 0.00 0.00 175.10 175.62 2ctl s ASN 49 N -3.72 3.83 -0.26 4.85 2.47 -0.90 -4.48 114.94 116.74 2ctl s ASN 49 Ca 0.26 -0.48 -0.04 0.00 0.42 0.00 0.00 52.86 53.02 2ctl s ASN 49 Cb 0.07 -1.63 0.01 0.00 -1.45 0.00 0.00 41.25 38.25 2ctl s ASN 49 CO 0.13 0.00 0.00 -0.63 -3.72 0.00 0.00 177.10 172.89 2ctl s ILE 50 N 1.31 3.49 -0.10 -5.21 1.01 -1.26 -1.92 121.20 118.51 2ctl s ILE 50 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2ctl s ILE 50 Cb -0.14 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.61 2ctl s ILE 50 CO -0.06 0.22 -0.21 -1.58 0.00 0.00 0.00 174.94 173.31 2ctl s GLN 51 N 1.45 2.79 0.16 2.79 2.00 -0.80 -5.05 119.66 123.00 2ctl s GLN 51 Ca 0.03 -0.78 -0.05 0.00 -2.00 0.00 0.00 55.36 52.56 2ctl s GLN 51 Cb -0.16 -2.17 -0.06 0.00 0.80 0.00 0.00 33.01 31.42 2ctl s GLN 51 CO -0.01 0.10 0.40 -0.06 -0.50 0.00 0.00 175.29 175.22 2ctl s PHE 52 N 0.54 3.47 0.83 1.67 0.08 -1.26 -2.39 117.98 120.92 2ctl s PHE 52 Ca -0.15 0.57 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 2ctl s PHE 52 Cb -0.17 -2.02 0.09 0.00 -0.57 0.00 0.00 43.02 40.35 2ctl s PHE 52 CO 0.05 0.40 1.09 -1.25 -0.10 0.00 0.00 175.22 175.42 2ctl s PRO 53 N -2.75 1.83 -0.16 0.24 0.04 -1.26 -4.99 135.00 127.94 2ctl s PRO 53 Ca 0.42 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2ctl s PRO 53 Cb -0.12 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2ctl s PRO 53 CO 0.25 -1.90 -0.04 0.34 0.04 0.00 0.00 177.00 175.69 2ctl s ASP 54 N -3.41 4.75 0.11 6.66 -1.08 -1.26 -4.97 116.67 117.47 2ctl s ASP 54 Ca 0.62 -0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.66 2ctl s ASP 54 Cb -0.17 -1.78 0.70 0.00 -1.46 0.00 0.00 42.92 40.21 2ctl s ASP 54 CO 0.56 0.15 1.50 2.29 0.52 0.00 0.00 175.17 180.20 2ctl n LYS 55 N 3.63 0.08 0.08 4.34 0.00 -1.26 -2.16 118.16 122.86 2ctl n LYS 55 Ca -0.17 0.37 -0.10 0.00 -0.00 0.00 0.00 58.31 58.41 2ctl n LYS 55 Cb 0.52 -1.66 -0.02 0.00 -0.00 0.00 0.00 35.03 33.87 2ctl n LYS 55 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2ctl h ASP 56 N 0.00 0.35 -0.51 -5.58 5.19 -1.98 -3.25 116.42 110.64 2ctl h ASP 56 Ca 0.00 -0.28 -0.10 0.00 -0.62 0.00 0.00 57.03 56.03 2ctl h ASP 56 Cb 0.23 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 2ctl h ASP 56 CO 0.00 1.08 -0.08 -0.78 -3.12 0.00 0.00 179.24 176.34 2ctl h ASP 57 N 0.15 0.95 0.00 6.45 1.82 -1.81 -3.46 116.42 120.52 2ctl h ASP 57 Ca -0.05 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 2ctl h ASP 57 Cb 1.52 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2ctl h ASP 57 CO 0.14 1.07 0.00 0.61 -1.61 0.00 0.00 179.24 179.45 2ctl n GLY 58 N -0.28 1.13 0.41 -0.78 0.00 -1.23 -4.31 105.19 100.14 2ctl n GLY 58 Ca 0.01 0.08 0.35 0.00 0.00 0.00 0.00 46.02 46.46 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 0.29 -3.95 1.61 -0.26 -1.93 -3.39 115.58 107.95 2ctl h ASN 59 Ca 0.00 0.18 -0.46 0.00 -0.56 0.00 0.00 56.30 55.46 2ctl h ASN 59 Cb 0.00 0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2ctl h ASN 59 CO 0.00 -0.26 0.26 -1.10 -1.06 0.00 0.00 177.43 175.27 2ctl s GLN 60 N -5.39 4.12 0.14 0.81 -0.21 -1.26 -5.02 119.66 112.85 2ctl s GLN 60 Ca -0.08 0.95 -0.31 0.00 0.02 0.00 0.00 55.36 55.94 2ctl s GLN 60 Cb 0.31 -2.26 -0.08 0.00 1.00 0.00 0.00 33.01 31.98 2ctl s GLN 60 CO 0.81 0.01 1.34 -1.25 -2.12 0.00 0.00 175.29 174.08 2ctl s PRO 61 N -3.21 4.36 0.18 2.91 0.04 -1.26 -4.93 135.00 133.08 2ctl s PRO 61 Ca 0.59 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.89 2ctl s PRO 61 Cb -0.09 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2ctl s PRO 61 CO 0.16 -0.35 0.99 1.04 0.04 0.00 0.00 177.00 178.88 2ctl n GLN 62 N 3.46 0.61 0.10 4.56 1.13 -1.26 -3.88 117.38 122.09 2ctl n GLN 62 Ca 0.09 0.10 0.12 0.00 -1.94 0.00 0.00 57.00 55.37 2ctl n GLN 62 Cb 0.43 -1.80 0.10 0.00 0.11 0.00 0.00 30.24 29.07 2ctl n GLN 62 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2ctl h ASP 63 N 0.00 0.00 -3.40 1.08 3.04 -1.89 -3.38 116.42 111.87 2ctl h ASP 63 Ca -0.01 -0.10 -0.55 0.00 -3.24 0.00 0.00 57.03 53.14 2ctl h ASP 63 Cb 1.02 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.27 2ctl h ASP 63 CO 0.00 0.05 0.12 -1.10 -2.04 0.00 0.00 179.24 176.27 2ctl s GLN 64 N -3.26 4.46 -0.22 4.15 -1.52 -1.25 -0.37 119.66 121.65 2ctl s GLN 64 Ca 0.03 1.00 0.00 0.00 -1.95 0.00 0.00 55.36 54.44 2ctl s GLN 64 Cb 0.11 -3.35 0.03 0.00 -0.22 0.00 0.00 33.01 29.57 2ctl s GLN 64 CO 0.75 0.33 -0.13 0.42 -0.25 0.00 0.00 175.29 176.41 2ctl s ILE 65 N -0.18 2.46 0.29 1.08 1.01 -0.19 -4.15 121.20 121.51 2ctl s ILE 65 Ca 0.37 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 2ctl s ILE 65 Cb -0.20 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.00 2ctl s ILE 65 CO 0.22 0.33 0.96 -0.89 0.00 0.00 0.00 174.94 175.56 2ctl s THR 66 N 1.29 4.08 -0.12 2.92 2.01 -1.00 -1.17 115.64 123.64 2ctl s THR 66 Ca 0.01 1.89 -0.05 0.00 0.31 0.00 0.00 61.69 63.86 2ctl s THR 66 Cb -0.15 -4.13 0.06 0.00 0.01 0.00 0.00 72.50 68.28 2ctl s THR 66 CO -0.08 0.30 0.26 -0.63 -0.69 0.00 0.00 174.62 173.78 2ctl s ILE 67 N -1.40 -0.22 0.07 1.82 1.01 0.29 -1.90 121.20 120.87 2ctl s ILE 67 Ca 0.46 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.36 2ctl s ILE 67 Cb -0.23 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2ctl s ILE 67 CO 0.29 0.09 -0.00 -0.89 0.00 0.00 0.00 174.94 174.42 2ctl s THR 68 N 1.82 4.02 -4.91 2.92 2.01 -0.81 -0.22 115.64 120.48 2ctl s THR 68 Ca -0.04 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2ctl s THR 68 Cb -0.11 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.51 2ctl s THR 68 CO -0.09 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2ctl n GLY 69 N 0.76 1.02 3.67 4.40 0.00 -1.14 -2.11 105.19 111.79 2ctl n GLY 69 Ca -0.12 -1.95 -0.51 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.42 2.12 -0.28 1.61 4.02 -1.22 -4.03 117.16 118.96 2ctl n TYR 70 Ca 0.00 0.29 0.31 0.00 -0.01 0.00 0.00 57.90 58.49 2ctl n TYR 70 Cb 0.00 -2.54 0.48 0.00 -0.02 0.00 0.00 39.34 37.26 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 5.04 0.01 -0.07 -0.72 2.13 -1.23 -0.30 120.64 125.50 2ctl n GLU 71 Ca 0.22 1.00 -0.04 0.00 0.66 0.00 0.00 57.16 59.00 2ctl n GLU 71 Cb 0.23 -2.47 -0.02 0.00 0.27 0.00 0.00 31.44 29.46 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 -0.98 5.31 1.57 -1.92 -3.32 116.57 117.23 2ctl h LYS 72 Ca 0.55 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.55 2ctl h LYS 72 Cb 2.99 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 35.22 2ctl h LYS 72 CO -0.01 0.04 0.63 -0.91 -0.57 0.00 0.00 179.45 178.64 2ctl h ASN 73 N -1.00 0.50 0.59 0.86 2.35 -1.03 -2.13 115.58 115.73 2ctl h ASN 73 Ca -0.01 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2ctl h ASN 73 Cb 0.39 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2ctl h ASN 73 CO -0.01 0.16 -0.46 0.71 -1.65 0.00 0.00 177.43 176.19 2ctl h THR 74 N 0.48 0.00 -0.75 2.81 1.35 -0.83 -2.92 112.91 113.04 2ctl h THR 74 Ca 0.54 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.49 2ctl h THR 74 Cb 1.24 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2ctl h THR 74 CO -0.26 0.00 -0.51 -0.33 -0.25 0.00 0.00 175.52 174.17 2ctl h GLU 75 N -1.01 -0.15 -1.36 4.72 5.08 -1.49 0.73 114.58 121.10 2ctl h GLU 75 Ca -0.08 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.71 2ctl h GLU 75 Cb 0.84 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.02 2ctl h GLU 75 CO 0.02 -0.10 0.91 0.00 -1.00 0.00 0.00 179.01 178.84 2ctl h ALA 76 N 0.53 2.88 0.16 3.43 0.00 -1.43 0.61 119.26 125.44 2ctl h ALA 76 Ca 0.17 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 2ctl h ALA 76 Cb 0.52 0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ctl h ALA 76 CO -0.80 -1.43 -1.19 0.00 0.00 0.00 0.00 179.25 175.83 2ctl h ALA 77 N 1.49 -0.01 0.00 0.00 0.00 0.53 -3.31 119.26 117.97 2ctl h ALA 77 Ca 0.78 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ctl h ALA 77 Cb 2.57 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.61 2ctl h ALA 77 CO -0.30 0.62 -0.11 0.07 0.00 0.00 0.00 179.25 179.53 2ctl h ARG 78 N -0.22 0.00 -0.17 0.00 -0.00 0.23 -2.33 114.38 111.89 2ctl h ARG 78 Ca -0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.68 2ctl h ARG 78 Cb 1.81 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.77 2ctl h ARG 78 CO 0.15 0.11 -0.21 0.22 -0.00 0.00 0.00 179.97 180.24 2ctl h ASP 79 N 0.00 0.29 0.58 0.08 3.58 -0.11 -3.22 116.42 117.62 2ctl h ASP 79 Ca -0.00 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 2ctl h ASP 79 Cb 0.37 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.35 2ctl h ASP 79 CO 0.01 0.52 -0.28 0.00 -2.88 0.00 0.00 179.24 176.62 2ctl h ALA 80 N 1.51 -0.77 -1.03 -0.78 0.00 -1.54 -0.80 119.26 115.84 2ctl h ALA 80 Ca 0.05 -0.18 0.40 0.00 0.00 0.00 0.00 54.91 55.17 2ctl h ALA 80 Cb 0.54 0.30 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 2ctl h ALA 80 CO 0.04 -0.74 0.61 -0.89 0.00 0.00 0.00 179.25 178.26 2ctl n ILE 81 N -5.30 -0.32 -0.06 0.00 5.41 -1.22 -0.56 119.36 117.31 2ctl n ILE 81 Ca -0.10 1.76 -0.05 0.00 1.00 0.00 0.00 62.75 65.36 2ctl n ILE 81 Cb 0.32 -2.87 -0.04 0.00 -0.71 0.00 0.00 39.64 36.34 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 0.00 -1.37 1.39 3.38 -1.56 -3.12 115.31 114.03 2ctl h LEU 82 Ca 0.78 -0.32 0.40 0.00 0.09 0.00 0.00 57.88 58.83 2ctl h LEU 82 Cb 2.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.93 2ctl h LEU 82 CO -0.60 0.67 1.24 -1.14 0.09 0.00 0.00 178.44 178.71 2ctl n ARG 83 N -4.72 0.01 -0.06 1.13 0.63 0.27 -0.26 116.66 113.67 2ctl n ARG 83 Ca -0.04 0.99 -0.01 0.00 -0.92 0.00 0.00 57.85 57.87 2ctl n ARG 83 Cb 0.16 -2.38 -0.00 0.00 0.45 0.00 0.00 32.46 30.69 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 0.00 -1.36 5.15 2.04 -1.39 -3.35 117.51 118.60 2ctl h ILE 84 Ca 0.65 -1.00 0.46 0.00 1.00 0.00 0.00 64.86 65.97 2ctl h ILE 84 Cb 3.12 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.07 2ctl h ILE 84 CO -0.01 0.00 0.88 0.58 0.00 0.00 0.00 178.15 179.60 2ctl h VAL 85 N -1.00 0.05 -0.92 1.67 2.07 -0.56 0.84 116.25 118.40 2ctl h VAL 85 Ca -0.00 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2ctl h VAL 85 Cb 0.14 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 2ctl h VAL 85 CO -0.00 0.01 0.57 1.23 0.02 0.00 0.00 177.57 179.39 2ctl h GLY 86 N 0.03 1.44 0.68 2.17 0.00 -1.52 0.29 103.07 106.16 2ctl h GLY 86 Ca 0.86 -0.39 -0.21 0.00 0.00 0.00 0.00 47.33 47.59 2ctl h GLY 86 CO -0.45 0.21 -0.95 1.05 0.00 0.00 0.00 176.54 176.40 2ctl h GLU 87 N 0.97 0.30 0.38 4.80 4.11 0.52 -3.35 114.58 122.31 2ctl h GLU 87 Ca 0.43 -0.51 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2ctl h GLU 87 Cb 0.31 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ctl h GLU 87 CO -0.22 1.24 -0.24 -0.07 0.07 0.00 0.00 179.01 179.79 2ctl h LEU 88 N -0.35 -0.61 -0.97 3.06 3.38 -1.09 -1.91 115.31 116.83 2ctl h LEU 88 Ca -0.18 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.18 2ctl h LEU 88 Cb 1.68 0.18 -0.18 0.00 0.09 0.00 0.00 40.66 42.44 2ctl h LEU 88 CO 0.14 -0.38 0.33 1.21 0.09 0.00 0.00 178.44 179.82 2ctl n GLU 89 N -5.37 -0.07 -0.03 1.13 2.13 0.99 0.31 120.64 119.74 2ctl n GLU 89 Ca -0.10 1.39 -0.13 0.00 0.66 0.00 0.00 57.16 58.97 2ctl n GLU 89 Cb 0.28 -2.37 -0.10 0.00 0.27 0.00 0.00 31.44 29.51 2ctl n GLU 89 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2ctl h GLN 90 N 0.00 0.07 -1.04 5.31 4.15 -1.58 -3.20 115.11 118.81 2ctl h GLN 90 Ca 0.73 -0.05 0.40 0.00 0.77 0.00 0.00 58.65 60.51 2ctl h GLN 90 Cb 1.81 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 29.36 2ctl h GLN 90 CO -0.81 0.64 0.61 -1.33 -1.93 0.00 0.00 178.83 176.01 2ctl n MET 91 N -4.74 -0.05 -3.50 1.69 2.81 0.15 -2.36 117.12 111.12 2ctl n MET 91 Ca -0.09 1.21 -0.41 0.00 -1.81 0.00 0.00 57.70 56.60 2ctl n MET 91 Cb 0.33 -2.25 -0.04 0.00 -0.71 0.00 0.00 33.22 30.54 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 -4.46 6.33 0.04 7.83 1.04 -1.03 -5.03 113.70 118.43 2ctl s SER 92 Ca -0.08 -3.19 -0.03 0.00 0.48 0.00 0.00 55.95 53.13 2ctl s SER 92 Cb 0.30 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.35 2ctl s SER 92 CO 0.72 -0.36 0.04 -0.83 0.98 0.00 0.00 173.24 173.78 2ctl s GLY 93 N 1.05 0.27 0.46 7.32 0.00 -1.00 -4.94 107.32 110.48 2ctl s GLY 93 Ca 0.23 -0.77 0.25 0.00 0.00 0.00 0.00 44.72 44.43 2ctl s GLY 93 CO -0.08 -0.88 1.89 -0.56 0.00 0.00 0.00 173.10 173.46 2ctl h PRO 94 N 3.65 0.00 -6.48 2.90 0.13 -1.96 -3.43 132.00 126.82 2ctl h PRO 94 Ca -0.33 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 2ctl h PRO 94 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ctl h PRO 94 CO 0.54 0.20 0.49 0.45 -0.23 0.00 0.00 178.00 179.45 2ctl s SER 95 N -6.17 7.19 0.15 1.44 0.15 -1.26 -4.95 113.70 110.25 2ctl s SER 95 Ca -0.00 1.91 -0.17 0.00 0.70 0.00 0.00 55.95 58.39 2ctl s SER 95 Cb 0.11 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2ctl s SER 95 CO 0.62 -0.38 1.80 -1.28 1.20 0.00 0.00 173.24 175.21 2ctl h SER 96 N 6.63 0.38 -0.00 5.45 0.87 -2.02 -3.52 113.55 121.35 2ctl h SER 96 Ca -0.42 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2ctl h SER 96 Cb 1.22 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2ctl h SER 96 CO 0.78 0.27 0.00 0.61 -0.53 0.00 0.00 176.83 177.97