#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 2.52 -0.11 1.61 0.01 -1.26 -5.09 113.70 111.38 2ctl s SER 2 Ca 0.00 -1.05 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 2ctl s SER 2 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2ctl s SER 2 CO 0.00 -0.21 -0.06 0.28 0.41 0.00 0.00 173.24 173.66 2ctl h SER 3 N 2.54 0.00 -0.75 2.44 0.02 -2.11 -3.40 113.55 112.29 2ctl h SER 3 Ca -0.38 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.88 2ctl h SER 3 Cb 1.22 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2ctl h SER 3 CO 0.63 0.55 2.34 0.61 -1.14 0.00 0.00 176.83 179.82 2ctl n GLY 4 N 1.74 2.90 3.16 -3.77 0.00 -1.26 -4.88 105.19 103.07 2ctl n GLY 4 Ca -0.02 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2ctl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctl s SER 5 N 4.03 -0.30 -0.07 1.61 0.15 -1.26 -5.06 113.70 112.79 2ctl s SER 5 Ca 0.53 0.59 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 2ctl s SER 5 Cb 0.05 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2ctl s SER 5 CO 0.05 -0.12 -0.12 -0.24 1.20 0.00 0.00 173.24 174.01 2ctl n SER 6 N 3.24 0.85 0.00 5.45 2.88 -1.26 -5.06 113.62 119.72 2ctl n SER 6 Ca -0.16 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2ctl n SER 6 Cb 0.57 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2ctl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctl n GLY 7 N 2.49 -0.64 3.36 0.46 0.00 -1.26 -5.17 105.19 104.44 2ctl n GLY 7 Ca -0.16 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ctl n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctl s GLU 8 N 0.00 1.80 -0.38 1.61 8.01 -1.26 -5.11 118.70 123.38 2ctl s GLU 8 Ca 0.00 -1.11 -0.14 0.00 0.01 0.00 0.00 54.97 53.73 2ctl s GLU 8 Cb 0.00 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.83 2ctl s GLU 8 CO 0.00 0.51 0.26 1.14 0.01 0.00 0.00 175.26 177.18 2ctl s GLN 9 N -1.32 3.16 -0.63 1.61 -2.07 -1.26 -4.96 119.66 114.19 2ctl s GLN 9 Ca 0.12 -0.88 -0.02 0.00 -1.82 0.00 0.00 55.36 52.76 2ctl s GLN 9 Cb -0.10 -3.88 0.41 0.00 -1.09 0.00 0.00 33.01 28.36 2ctl s GLN 9 CO 0.03 -0.62 2.04 -1.91 -1.32 0.00 0.00 175.29 173.51 2ctl n GLU 10 N 5.12 2.58 -0.01 9.60 4.07 -1.26 -4.61 120.64 136.14 2ctl n GLU 10 Ca -0.12 -3.09 -0.12 0.00 -0.06 0.00 0.00 57.16 53.77 2ctl n GLU 10 Cb 0.48 -2.21 -0.08 0.00 -0.06 0.00 0.00 31.44 29.57 2ctl n GLU 10 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2ctl h ASP 11 N 1.99 0.08 -1.60 4.31 3.32 -1.98 -2.37 116.42 120.17 2ctl h ASP 11 Ca 0.57 -0.31 0.49 0.00 0.02 0.00 0.00 57.03 57.80 2ctl h ASP 11 Cb 0.78 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 2ctl h ASP 11 CO 1.49 0.37 1.12 -2.11 -1.72 0.00 0.00 179.24 178.38 2ctl n ARG 12 N -4.89 -0.01 -0.02 3.56 1.85 -1.26 0.17 116.66 116.06 2ctl n ARG 12 Ca -0.07 1.04 -0.18 0.00 -1.00 0.00 0.00 57.85 57.64 2ctl n ARG 12 Cb 0.18 -2.26 -0.14 0.00 -1.05 0.00 0.00 32.46 29.19 2ctl n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctl n ALA 13 N -2.73 1.09 -0.34 2.89 0.00 -1.11 -3.99 120.51 116.33 2ctl n ALA 13 Ca 0.39 -0.71 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 2ctl n ALA 13 Cb 1.69 -0.63 0.09 0.00 0.00 0.00 0.00 19.45 20.60 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 0.05 1.12 -0.74 0.00 3.38 0.23 -0.87 115.31 118.47 2ctl h LEU 14 Ca -0.42 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2ctl h LEU 14 Cb 2.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2ctl h LEU 14 CO 0.06 0.87 0.00 -2.11 0.09 0.00 0.00 178.44 177.36 2ctl n ARG 15 N -4.36 0.19 -1.05 1.13 1.85 0.67 -2.44 116.66 112.65 2ctl n ARG 15 Ca 0.10 0.44 -0.22 0.00 -1.00 0.00 0.00 57.85 57.17 2ctl n ARG 15 Cb 0.07 -1.87 0.14 0.00 -1.05 0.00 0.00 32.46 29.75 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 -2.22 4.24 -4.56 2.89 2.88 -0.33 -4.00 113.62 112.51 2ctl n SER 16 Ca 0.02 -3.38 -0.40 0.00 -1.33 0.00 0.00 58.87 53.78 2ctl n SER 16 Cb 0.21 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 62.76 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 -2.83 3.22 -0.25 0.66 2.19 -1.02 -5.02 117.98 114.94 2ctl s PHE 17 Ca 0.49 0.08 -0.07 0.00 0.33 0.00 0.00 56.93 57.75 2ctl s PHE 17 Cb 0.40 -2.58 -0.03 0.00 -1.31 0.00 0.00 43.02 39.51 2ctl s PHE 17 CO 0.08 -0.33 0.06 0.21 1.83 0.00 0.00 175.22 177.07 2ctl s LYS 18 N 1.95 3.64 0.09 10.12 2.20 -1.26 -2.85 119.74 133.63 2ctl s LYS 18 Ca 0.11 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 2ctl s LYS 18 Cb -0.16 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2ctl s LYS 18 CO 0.11 -0.19 0.01 -1.17 -0.36 0.00 0.00 175.35 173.76 2ctl s LEU 19 N 1.60 3.52 -0.17 5.43 2.96 -0.12 -4.95 118.68 126.95 2ctl s LEU 19 Ca 0.06 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2ctl s LEU 19 Cb -0.15 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.33 2ctl s LEU 19 CO 0.03 0.17 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.18 2ctl s SER 20 N -2.33 3.01 -0.20 3.68 1.04 -1.25 -1.44 113.70 116.21 2ctl s SER 20 Ca 0.26 -0.68 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 2ctl s SER 20 Cb -0.12 -1.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 2ctl s SER 20 CO 0.19 -0.11 0.52 -0.69 0.98 0.00 0.00 173.24 174.13 2ctl s VAL 21 N 1.47 5.10 -0.97 5.02 1.01 -0.67 -4.79 120.40 126.56 2ctl s VAL 21 Ca 0.02 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 62.76 2ctl s VAL 21 Cb -0.15 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.49 2ctl s VAL 21 CO -0.09 0.17 1.25 -0.89 0.00 0.00 0.00 175.10 175.54 2ctl s THR 22 N 1.67 4.46 -0.02 3.92 2.01 -1.26 -1.39 115.64 125.02 2ctl s THR 22 Ca 0.24 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.92 2ctl s THR 22 Cb -0.15 -4.88 0.02 0.00 0.01 0.00 0.00 72.50 67.50 2ctl s THR 22 CO 0.10 -1.66 -0.01 -0.69 -0.69 0.00 0.00 174.62 171.67 2ctl s VAL 23 N 3.44 0.20 0.24 3.82 1.01 0.10 -5.03 120.40 124.20 2ctl s VAL 23 Ca 0.38 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 2ctl s VAL 23 Cb -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 36.38 35.91 2ctl s VAL 23 CO -0.09 0.13 0.50 -0.67 0.00 0.00 0.00 175.10 174.97 2ctl n ASP 24 N 3.91 -1.24 0.00 3.32 2.03 -1.26 -4.25 116.55 119.06 2ctl n ASP 24 Ca -0.24 1.08 0.08 0.00 0.52 0.00 0.00 54.79 56.23 2ctl n ASP 24 Cb 0.52 -0.98 0.44 0.00 -0.72 0.00 0.00 41.12 40.39 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ctl n PRO 25 N 1.01 0.42 0.10 -0.67 -0.04 -1.26 -2.62 135.00 131.94 2ctl n PRO 25 Ca 0.16 0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.48 2ctl n PRO 25 Cb 0.28 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.32 0.00 0.54 2.10 -1.91 -3.29 116.57 114.33 2ctl h LYS 26 Ca 0.00 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2ctl h LYS 26 Cb 0.03 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2ctl h LYS 26 CO 0.00 1.23 -0.28 1.88 -2.00 0.00 0.00 179.45 180.29 2ctl h TYR 27 N 0.09 0.00 -0.19 0.07 0.05 -1.85 -3.37 116.97 111.77 2ctl h TYR 27 Ca -0.20 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.62 2ctl h TYR 27 Cb 2.03 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.70 2ctl h TYR 27 CO 0.08 0.00 -0.55 0.45 -1.05 0.00 0.00 178.16 177.09 2ctl h HIS 28 N 0.00 -1.63 0.00 4.88 3.86 -1.62 0.25 115.15 120.88 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 0.82 0.74 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2ctl h HIS 28 CO 0.00 -0.53 0.00 -0.35 0.86 0.00 0.00 177.93 177.91 2ctl n PRO 29 N -5.40 0.16 0.06 2.45 -0.04 -1.26 -2.09 135.00 128.89 2ctl n PRO 29 Ca -0.06 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 2ctl n PRO 29 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.33 0.63 0.06 0.54 4.76 0.67 -4.20 118.16 119.28 2ctl n LYS 30 Ca 0.06 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 2ctl n LYS 30 Cb 0.13 -1.72 -0.15 0.00 -1.84 0.00 0.00 35.03 31.45 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 0.96 0.10 -0.18 2.04 -0.39 -3.37 117.51 116.68 2ctl h ILE 31 Ca -0.02 -2.59 0.02 0.00 1.00 0.00 0.00 64.86 63.27 2ctl h ILE 31 Cb 1.07 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 39.82 2ctl h ILE 31 CO 0.00 0.84 -0.47 0.40 0.00 0.00 0.00 178.15 178.92 2ctl h ILE 32 N 0.09 0.08 0.00 -0.67 2.04 -1.71 -3.34 117.51 114.00 2ctl h ILE 32 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2ctl h ILE 32 Cb 2.07 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2ctl h ILE 32 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.92 2ctl n GLY 33 N -1.48 1.02 0.32 5.37 0.00 -1.26 -2.63 105.19 106.52 2ctl n GLY 33 Ca -0.08 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.73 -0.01 1.61 3.08 -1.94 -3.26 114.38 113.12 2ctl h ARG 34 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ctl h ARG 34 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ctl h ARG 34 CO 0.00 -0.49 -0.48 0.36 -1.07 0.00 0.00 179.97 178.29 2ctl n LYS 35 N -4.19 0.95 -0.56 0.04 2.85 -1.26 -4.95 118.16 111.04 2ctl n LYS 35 Ca -0.09 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.43 2ctl n LYS 35 Cb 0.31 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 1.41 0.70 0.15 2.58 0.00 -1.23 -4.96 105.19 103.84 2ctl n GLY 36 Ca 0.09 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 0.71 0.26 4.61 0.00 -1.89 -3.13 119.26 119.82 2ctl h ALA 37 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2ctl h ALA 37 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ctl h ALA 37 CO 0.00 0.55 -0.12 0.28 0.00 0.00 0.00 179.25 179.96 2ctl h VAL 38 N 0.00 0.79 -0.61 0.00 2.07 -1.85 -1.72 116.25 114.94 2ctl h VAL 38 Ca -0.01 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2ctl h VAL 38 Cb 1.34 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2ctl h VAL 38 CO 0.05 0.08 0.17 -0.29 0.02 0.00 0.00 177.57 177.60 2ctl h ILE 39 N -0.54 1.25 -0.51 4.57 6.09 -1.62 -2.85 117.51 123.90 2ctl h ILE 39 Ca -0.04 -0.88 0.05 0.00 -1.37 0.00 0.00 64.86 62.63 2ctl h ILE 39 Cb 0.40 0.66 -0.05 0.00 0.47 0.00 0.00 36.82 38.30 2ctl h ILE 39 CO 0.06 0.33 0.24 0.74 -3.07 0.00 0.00 178.15 176.45 2ctl h THR 40 N 0.88 0.92 0.00 2.19 2.02 -1.51 0.31 112.91 117.72 2ctl h THR 40 Ca 0.19 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2ctl h THR 40 Cb 0.32 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2ctl h THR 40 CO -0.00 0.08 -0.07 -0.61 0.37 0.00 0.00 175.52 175.29 2ctl h GLN 41 N 0.47 0.00 0.07 6.66 5.75 -1.15 -1.70 115.11 125.20 2ctl h GLN 41 Ca 0.23 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.49 2ctl h GLN 41 Cb 0.18 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 2ctl h GLN 41 CO -0.18 0.07 -1.10 0.82 -2.65 0.00 0.00 178.83 175.79 2ctl h ILE 42 N 0.00 1.54 0.15 2.39 2.04 -0.94 -2.55 117.51 120.15 2ctl h ILE 42 Ca -0.00 -3.03 -0.01 0.00 1.00 0.00 0.00 64.86 62.82 2ctl h ILE 42 Cb 0.13 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2ctl h ILE 42 CO 0.01 0.88 -0.07 0.03 0.00 0.00 0.00 178.15 179.00 2ctl h ARG 43 N 0.07 -0.19 -0.55 2.37 3.08 -0.24 -3.04 114.38 115.89 2ctl h ARG 43 Ca -0.09 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2ctl h ARG 43 Cb 1.82 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.89 2ctl h ARG 43 CO 0.17 0.17 0.22 -0.07 -1.07 0.00 0.00 179.97 179.39 2ctl h LEU 44 N -0.60 0.75 -1.53 3.04 3.38 -1.46 0.85 115.31 119.74 2ctl h LEU 44 Ca -0.02 -0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.04 2ctl h LEU 44 Cb 0.45 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2ctl h LEU 44 CO 0.03 0.71 0.66 -0.08 0.09 0.00 0.00 178.44 179.86 2ctl h GLU 45 N 0.74 0.31 -0.01 1.13 4.57 -1.48 0.19 114.58 120.03 2ctl h GLU 45 Ca 0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2ctl h GLU 45 Cb 0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2ctl h GLU 45 CO -0.02 0.21 -0.14 0.72 -1.18 0.00 0.00 179.01 178.60 2ctl n HIS 46 N -4.51 0.00 -3.34 0.92 8.25 -0.95 -4.99 115.22 110.61 2ctl n HIS 46 Ca 0.23 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.45 2ctl n HIS 46 Cb 0.87 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.02 2ctl n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2ctl n ASP 47 N 0.28 -5.87 -4.64 0.41 9.92 0.27 -4.84 116.55 112.08 2ctl n ASP 47 Ca 0.07 -0.44 -0.29 0.00 -0.53 0.00 0.00 54.79 53.60 2ctl n ASP 47 Cb 0.31 -4.69 -0.10 0.00 -0.64 0.00 0.00 41.12 35.99 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ctl s VAL 48 N -3.22 1.61 -0.25 2.53 -7.23 0.24 -4.89 120.40 109.19 2ctl s VAL 48 Ca 0.45 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2ctl s VAL 48 Cb -0.21 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.08 2ctl s VAL 48 CO 0.55 0.00 -0.05 0.21 -0.31 0.00 0.00 175.10 175.51 2ctl s ASN 49 N -3.75 4.35 -0.26 4.85 2.47 -0.83 -4.47 114.94 117.30 2ctl s ASN 49 Ca 0.25 -0.75 -0.06 0.00 0.42 0.00 0.00 52.86 52.71 2ctl s ASN 49 Cb 0.07 -1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 38.16 2ctl s ASN 49 CO 0.13 -0.11 0.05 -0.63 -3.72 0.00 0.00 177.10 172.81 2ctl s ILE 50 N 1.37 3.99 0.17 -5.21 1.01 -1.26 -1.25 121.20 120.02 2ctl s ILE 50 Ca 0.02 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.36 2ctl s ILE 50 Cb -0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2ctl s ILE 50 CO -0.04 0.28 -0.21 -1.10 0.00 0.00 0.00 174.94 173.87 2ctl s GLN 51 N 1.55 1.39 0.13 2.79 -1.52 0.63 -5.03 119.66 119.60 2ctl s GLN 51 Ca 0.05 -1.45 0.10 0.00 -1.95 0.00 0.00 55.36 52.12 2ctl s GLN 51 Cb -0.16 -1.60 -0.04 0.00 -0.22 0.00 0.00 33.01 30.99 2ctl s GLN 51 CO 0.02 0.34 -0.25 -0.06 -0.25 0.00 0.00 175.29 175.08 2ctl s PHE 52 N -1.77 2.21 0.91 0.91 0.40 -1.26 -1.97 117.98 117.40 2ctl s PHE 52 Ca 0.17 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 2ctl s PHE 52 Cb -0.07 -1.18 0.14 0.00 0.51 0.00 0.00 43.02 42.41 2ctl s PHE 52 CO 0.08 0.33 1.09 -1.25 0.70 0.00 0.00 175.22 176.18 2ctl s PRO 53 N -2.12 1.11 -0.18 0.24 0.04 -1.26 -4.97 135.00 127.86 2ctl s PRO 53 Ca 0.13 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 2ctl s PRO 53 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2ctl s PRO 53 CO 0.06 -2.33 -0.14 0.34 0.04 0.00 0.00 177.00 174.98 2ctl s ASP 54 N -3.43 3.66 0.28 6.66 2.15 -1.26 -5.00 116.67 119.73 2ctl s ASP 54 Ca 0.64 -0.51 0.01 0.00 0.43 0.00 0.00 52.55 53.11 2ctl s ASP 54 Cb -0.18 -1.59 0.54 0.00 -0.30 0.00 0.00 42.92 41.39 2ctl s ASP 54 CO 0.57 0.02 1.83 0.07 -0.17 0.00 0.00 175.17 177.49 2ctl h LYS 55 N 7.80 0.95 -0.90 4.34 2.10 -1.95 -1.05 116.57 127.86 2ctl h LYS 55 Ca -0.40 -0.06 0.16 0.00 -2.00 0.00 0.00 60.65 58.35 2ctl h LYS 55 Cb 1.16 -0.21 -0.10 0.00 -0.90 0.00 0.00 32.23 32.18 2ctl h LYS 55 CO 0.61 0.63 0.49 0.22 -2.00 0.00 0.00 179.45 179.39 2ctl h ASP 56 N 0.98 0.60 0.37 7.07 1.82 -1.99 -2.66 116.42 122.61 2ctl h ASP 56 Ca 0.49 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 57.21 2ctl h ASP 56 Cb 0.48 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 2ctl h ASP 56 CO -0.27 0.23 -0.28 -0.78 -1.61 0.00 0.00 179.24 176.53 2ctl h ASP 57 N 0.66 -0.73 0.00 2.28 1.82 -1.58 -3.47 116.42 115.40 2ctl h ASP 57 Ca 0.50 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 2ctl h ASP 57 Cb 0.74 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2ctl h ASP 57 CO -0.38 -0.40 0.00 0.61 -1.61 0.00 0.00 179.24 177.46 2ctl n GLY 58 N -1.33 2.06 0.60 -0.78 0.00 -1.01 -4.67 105.19 100.06 2ctl n GLY 58 Ca -0.08 -0.40 0.47 0.00 0.00 0.00 0.00 46.02 46.01 2ctl n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ctl n ASN 59 N 4.18 0.08 -4.86 1.61 4.13 -1.26 -4.29 115.26 114.85 2ctl n ASN 59 Ca 0.00 1.10 -0.32 0.00 1.68 0.00 0.00 54.58 57.04 2ctl n ASN 59 Cb 0.00 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 37.64 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ctl s GLN 60 N -4.93 3.91 0.27 3.52 -0.21 -1.26 -5.05 119.66 115.90 2ctl s GLN 60 Ca -0.06 0.50 -0.29 0.00 0.02 0.00 0.00 55.36 55.53 2ctl s GLN 60 Cb 0.27 -2.51 -0.09 0.00 1.00 0.00 0.00 33.01 31.68 2ctl s GLN 60 CO 0.83 0.20 1.26 -1.25 -2.12 0.00 0.00 175.29 174.21 2ctl s PRO 61 N -3.01 4.44 -0.04 2.91 0.04 -1.26 -4.92 135.00 133.15 2ctl s PRO 61 Ca 0.51 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.79 2ctl s PRO 61 Cb -0.11 -3.15 -0.22 0.00 0.04 0.00 0.00 34.50 31.07 2ctl s PRO 61 CO 0.20 -0.12 0.51 1.04 0.04 0.00 0.00 177.00 178.67 2ctl n GLN 62 N 1.62 0.65 0.00 4.56 1.13 -1.26 -4.06 117.38 120.02 2ctl n GLN 62 Ca 0.02 0.05 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 2ctl n GLN 62 Cb 0.43 -1.65 0.45 0.00 0.11 0.00 0.00 30.24 29.58 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 -2.69 0.73 -4.73 1.08 5.68 -1.26 -4.16 116.55 111.20 2ctl n ASP 63 Ca -0.15 -0.64 -0.35 0.00 -0.50 0.00 0.00 54.79 53.15 2ctl n ASP 63 Cb 0.87 0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.82 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 -2.58 4.17 -0.23 0.11 -1.52 -1.25 0.01 119.66 118.37 2ctl s GLN 64 Ca 0.24 -0.19 -0.06 0.00 -1.95 0.00 0.00 55.36 53.40 2ctl s GLN 64 Cb 0.19 -3.41 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 2ctl s GLN 64 CO 0.53 0.31 0.03 0.42 -0.25 0.00 0.00 175.29 176.33 2ctl s ILE 65 N 0.33 4.06 -0.12 1.08 1.01 -0.49 -4.24 121.20 122.83 2ctl s ILE 65 Ca 0.09 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 2ctl s ILE 65 Cb -0.11 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2ctl s ILE 65 CO -0.01 0.38 0.91 0.42 0.00 0.00 0.00 174.94 176.64 2ctl s THR 66 N 1.43 4.85 -0.07 2.92 -4.23 -0.83 -1.68 115.64 118.03 2ctl s THR 66 Ca 0.05 1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 62.38 2ctl s THR 66 Cb -0.15 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.50 2ctl s THR 66 CO 0.02 0.04 0.01 -0.63 -0.54 0.00 0.00 174.62 173.52 2ctl s ILE 67 N 1.91 0.33 0.15 2.99 1.01 -0.52 -0.27 121.20 126.80 2ctl s ILE 67 Ca 0.44 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.27 2ctl s ILE 67 Cb -0.18 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2ctl s ILE 67 CO 0.16 0.25 0.18 -0.89 0.00 0.00 0.00 174.94 174.65 2ctl s THR 68 N 1.98 4.79 0.00 2.92 2.01 -0.38 -0.95 115.64 126.01 2ctl s THR 68 Ca 0.05 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2ctl s THR 68 Cb -0.12 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2ctl s THR 68 CO -0.05 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2ctl n GLY 69 N -0.33 2.16 3.66 4.40 0.00 -1.13 -1.97 105.19 111.97 2ctl n GLY 69 Ca -0.08 -1.92 -0.59 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.76 1.63 -0.34 1.61 4.01 -1.25 -4.18 117.16 116.88 2ctl n TYR 70 Ca 0.00 0.78 0.34 0.00 -0.16 0.00 0.00 57.90 58.87 2ctl n TYR 70 Cb 0.00 -2.32 0.53 0.00 -0.31 0.00 0.00 39.34 37.25 2ctl n TYR 70 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2ctl h GLU 71 N 5.38 0.00 0.00 -0.72 4.81 -1.88 0.21 114.58 122.38 2ctl h GLU 71 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2ctl h GLU 71 Cb 1.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 2ctl h GLU 71 CO 0.87 0.00 -0.38 0.87 -0.73 0.00 0.00 179.01 179.64 2ctl h LYS 72 N 0.00 0.00 -1.01 1.92 1.79 -1.93 -3.32 116.57 114.01 2ctl h LYS 72 Ca 0.60 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 59.32 2ctl h LYS 72 Cb 3.15 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 33.71 2ctl h LYS 72 CO -0.01 0.13 0.65 -0.91 -1.08 0.00 0.00 179.45 178.24 2ctl h ASN 73 N -1.00 0.50 0.29 0.86 4.21 -1.05 -2.39 115.58 117.00 2ctl h ASN 73 Ca -0.03 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 2ctl h ASN 73 Cb 0.43 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2ctl h ASN 73 CO -0.02 0.12 -0.21 0.71 -1.29 0.00 0.00 177.43 176.75 2ctl h THR 74 N 0.45 0.00 -0.94 2.81 1.35 -0.99 -2.80 112.91 112.79 2ctl h THR 74 Ca 0.58 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.58 2ctl h THR 74 Cb 1.37 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.64 2ctl h THR 74 CO -0.30 0.00 -0.37 -0.62 -0.25 0.00 0.00 175.52 173.98 2ctl n GLU 75 N -3.56 -0.23 -0.34 4.72 1.02 -0.91 0.16 120.64 121.50 2ctl n GLU 75 Ca -0.06 1.45 0.22 0.00 -0.02 0.00 0.00 57.16 58.76 2ctl n GLU 75 Cb 0.20 -2.15 0.47 0.00 -0.02 0.00 0.00 31.44 29.94 2ctl n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ctl h ALA 76 N 1.28 2.08 0.00 0.62 0.00 -1.41 0.24 119.26 122.08 2ctl h ALA 76 Ca 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2ctl h ALA 76 Cb 0.56 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ctl h ALA 76 CO -0.93 -0.56 -0.10 0.00 0.00 0.00 0.00 179.25 177.66 2ctl h ALA 77 N 1.69 0.02 -0.46 0.00 0.00 0.19 -3.31 119.26 117.39 2ctl h ALA 77 Ca 0.65 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2ctl h ALA 77 Cb 1.52 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2ctl h ALA 77 CO -0.41 0.06 0.45 0.07 0.00 0.00 0.00 179.25 179.42 2ctl h ARG 78 N -1.00 0.00 0.00 0.00 -0.00 0.34 0.40 114.38 114.12 2ctl h ARG 78 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.89 2ctl h ARG 78 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.77 2ctl h ARG 78 CO -0.02 0.00 -0.33 0.22 -0.00 0.00 0.00 179.97 179.85 2ctl h ASP 79 N 0.00 0.00 0.26 0.08 3.58 -0.64 -3.18 116.42 116.52 2ctl h ASP 79 Ca 0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2ctl h ASP 79 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2ctl h ASP 79 CO -0.00 0.33 -0.13 0.00 -2.88 0.00 0.00 179.24 176.56 2ctl h ALA 80 N 1.67 -0.35 -1.20 -0.78 0.00 -0.31 -1.93 119.26 116.36 2ctl h ALA 80 Ca -0.00 -0.20 0.41 0.00 0.00 0.00 0.00 54.91 55.12 2ctl h ALA 80 Cb 0.62 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 2ctl h ALA 80 CO 0.04 -0.45 0.74 0.82 0.00 0.00 0.00 179.25 180.40 2ctl h ILE 81 N -0.86 0.12 0.03 0.00 2.04 -1.53 0.29 117.51 117.61 2ctl h ILE 81 Ca -0.04 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 2ctl h ILE 81 Cb 0.51 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2ctl h ILE 81 CO 0.06 0.02 -0.28 -0.07 0.00 0.00 0.00 178.15 177.88 2ctl h LEU 82 N 0.11 0.19 -0.22 1.44 3.38 -1.58 -3.20 115.31 115.43 2ctl h LEU 82 Ca 0.81 -0.90 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ctl h LEU 82 Cb 2.36 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.99 2ctl h LEU 82 CO -0.53 1.07 -0.47 -0.09 0.09 0.00 0.00 178.44 178.52 2ctl h ARG 83 N -0.66 -0.41 -0.40 1.13 2.43 0.37 -2.04 114.38 114.81 2ctl h ARG 83 Ca -0.04 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2ctl h ARG 83 Cb 1.14 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.69 2ctl h ARG 83 CO 0.05 -0.27 -0.34 0.82 -1.51 0.00 0.00 179.97 178.72 2ctl h ILE 84 N -0.42 0.21 -0.66 1.20 2.04 -1.43 -2.44 117.51 116.00 2ctl h ILE 84 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2ctl h ILE 84 Cb 0.54 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 2ctl h ILE 84 CO -0.43 0.00 -0.43 0.58 0.00 0.00 0.00 178.15 177.87 2ctl h VAL 85 N -0.27 0.00 -0.76 1.67 2.07 -1.38 0.31 116.25 117.89 2ctl h VAL 85 Ca 0.17 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.98 2ctl h VAL 85 Cb 0.55 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 2ctl h VAL 85 CO -0.54 0.00 0.30 0.61 0.02 0.00 0.00 177.57 177.96 2ctl n GLY 86 N -1.20 -0.70 0.09 2.17 0.00 -0.89 0.92 105.19 105.58 2ctl n GLY 86 Ca 0.01 0.65 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 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 0.13 -0.59 1.61 5.08 -0.46 -3.27 114.58 117.08 2ctl h GLU 87 Ca 0.60 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.94 2ctl h GLU 87 Cb 1.51 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.68 2ctl h GLU 87 CO -0.62 0.87 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.02 2ctl h LEU 88 N -0.55 -0.61 -0.30 1.33 3.38 0.17 -0.71 115.31 118.02 2ctl h LEU 88 Ca -0.02 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2ctl h LEU 88 Cb 0.93 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2ctl h LEU 88 CO 0.04 -0.21 -0.32 -0.08 0.09 0.00 0.00 178.44 177.96 2ctl h GLU 89 N -0.02 -0.29 -0.55 1.13 4.22 -1.29 -1.40 114.58 116.37 2ctl h GLU 89 Ca 0.28 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.80 2ctl h GLU 89 Cb 0.45 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2ctl h GLU 89 CO -0.62 -0.19 0.25 0.37 -2.18 0.00 0.00 179.01 176.64 2ctl h GLN 90 N -0.30 0.47 -6.48 1.92 5.75 -1.29 -3.43 115.11 111.75 2ctl h GLN 90 Ca 0.14 -0.03 -0.61 0.00 -0.15 0.00 0.00 58.65 58.01 2ctl h GLN 90 Cb 0.53 -0.11 0.10 0.00 1.07 0.00 0.00 27.48 29.08 2ctl h GLN 90 CO -0.46 0.31 0.26 -1.33 -2.65 0.00 0.00 178.83 174.96 2ctl n MET 91 N -4.92 1.47 -2.52 1.69 2.81 -0.39 -4.83 117.12 110.42 2ctl n MET 91 Ca 0.06 0.52 -0.41 0.00 -1.81 0.00 0.00 57.70 56.06 2ctl n MET 91 Cb 0.18 -1.97 -0.02 0.00 -0.71 0.00 0.00 33.22 30.70 2ctl n MET 91 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2ctl s SER 92 N -0.29 6.50 0.41 7.83 0.01 -1.26 -4.97 113.70 121.94 2ctl s SER 92 Ca 0.63 -1.82 -0.25 0.00 1.31 0.00 0.00 55.95 55.83 2ctl s SER 92 Cb -0.72 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 62.85 2ctl s SER 92 CO 0.57 -1.50 1.18 -0.83 0.41 0.00 0.00 173.24 173.06 2ctl s GLY 93 N 4.90 2.85 1.24 3.44 0.00 -1.26 -5.03 107.32 113.46 2ctl s GLY 93 Ca 0.51 0.98 -0.20 0.00 0.00 0.00 0.00 44.72 46.01 2ctl s GLY 93 CO -0.01 1.49 1.11 2.56 0.00 0.00 0.00 173.10 178.25 2ctl s PRO 94 N -2.36 -1.50 -0.80 2.90 0.04 -1.26 -4.98 135.00 127.04 2ctl s PRO 94 Ca 0.58 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 61.32 2ctl s PRO 94 Cb -0.31 -1.57 0.21 0.00 0.04 0.00 0.00 34.50 32.87 2ctl s PRO 94 CO 0.39 -3.88 0.73 -1.54 0.04 0.00 0.00 177.00 172.74 2ctl s SER 95 N -3.97 6.62 0.10 6.66 1.04 -1.26 -4.92 113.70 117.96 2ctl s SER 95 Ca 0.72 -2.68 -0.28 0.00 0.48 0.00 0.00 55.95 54.19 2ctl s SER 95 Cb -0.08 -2.18 -0.13 0.00 0.10 0.00 0.00 66.02 63.73 2ctl s SER 95 CO 0.56 -0.57 1.65 0.28 0.98 0.00 0.00 173.24 176.14 2ctl h SER 96 N 7.76 -0.66 0.00 7.02 0.02 -2.05 -3.58 113.55 122.05 2ctl h SER 96 Ca 0.08 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2ctl h SER 96 Cb 1.04 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2ctl h SER 96 CO 0.76 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.69