#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 0.10 0.29 1.61 0.15 -1.26 -5.18 113.70 109.42 2ctl s SER 2 Ca 0.00 -1.04 0.10 0.00 0.70 0.00 0.00 55.95 55.71 2ctl s SER 2 Cb 0.00 0.41 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 2ctl s SER 2 CO 0.00 -0.88 -0.14 -0.44 1.20 0.00 0.00 173.24 172.99 2ctl s SER 3 N -3.02 3.40 0.00 5.45 0.01 -1.26 -5.16 113.70 113.12 2ctl s SER 3 Ca 0.23 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2ctl s SER 3 Cb 0.04 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2ctl s SER 3 CO 0.03 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2ctl n GLY 4 N -0.64 4.54 3.42 3.44 0.00 -1.26 -5.17 105.19 109.52 2ctl n GLY 4 Ca -0.05 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 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 0.67 2.42 0.33 1.61 0.15 -1.26 -5.02 113.70 112.61 2ctl s SER 5 Ca 0.00 -1.28 0.14 0.00 0.70 0.00 0.00 55.95 55.51 2ctl s SER 5 Cb 0.00 -0.10 1.10 0.00 -1.71 0.00 0.00 66.02 65.31 2ctl s SER 5 CO 0.00 -0.49 1.48 -1.20 1.20 0.00 0.00 173.24 174.23 2ctl n SER 6 N -0.60 0.20 0.00 5.45 7.64 -1.26 -4.66 113.62 120.39 2ctl n SER 6 Ca -0.04 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.41 2ctl n SER 6 Cb 0.65 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2ctl n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 7 N -1.31 1.09 0.07 0.23 0.00 -1.26 -5.08 105.19 98.92 2ctl n GLY 7 Ca 0.32 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 -6.18 1.61 5.08 -2.04 -3.45 114.58 109.61 2ctl h GLU 8 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2ctl h GLU 8 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2ctl h GLU 8 CO 0.00 0.10 1.36 1.04 -1.00 0.00 0.00 179.01 180.51 2ctl n GLN 9 N -4.65 2.40 -2.30 2.33 6.02 -1.26 -4.86 117.38 115.06 2ctl n GLN 9 Ca -0.07 0.79 -0.22 0.00 -0.01 0.00 0.00 57.00 57.50 2ctl n GLN 9 Cb 0.22 -3.10 0.02 0.00 1.02 0.00 0.00 30.24 28.40 2ctl n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2ctl n GLU 10 N 8.09 3.23 -0.04 -1.09 2.13 -1.26 -4.82 120.64 126.87 2ctl n GLU 10 Ca 0.25 -4.17 -0.13 0.00 0.66 0.00 0.00 57.16 53.77 2ctl n GLU 10 Cb 0.42 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2ctl h ASP 11 N 2.41 0.24 -1.35 4.31 3.04 -1.99 -2.61 116.42 120.48 2ctl h ASP 11 Ca 0.27 -0.43 0.43 0.00 -3.24 0.00 0.00 57.03 54.06 2ctl h ASP 11 Cb 1.28 -0.07 -0.10 0.00 -1.04 0.00 0.00 39.33 39.40 2ctl h ASP 11 CO 0.72 0.62 0.91 -2.11 -2.04 0.00 0.00 179.24 177.34 2ctl n ARG 12 N -4.70 -0.02 -0.05 4.15 1.85 -1.26 0.86 116.66 117.50 2ctl n ARG 12 Ca -0.06 1.01 -0.22 0.00 -1.00 0.00 0.00 57.85 57.58 2ctl n ARG 12 Cb 0.29 -2.10 -0.13 0.00 -1.05 0.00 0.00 32.46 29.47 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 -2.62 0.86 -0.10 2.89 0.00 -1.16 -3.86 120.51 116.51 2ctl n ALA 13 Ca 0.35 -0.57 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 2ctl n ALA 13 Cb 1.46 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.42 -0.48 -2.50 0.00 3.38 0.86 0.29 115.31 116.44 2ctl h LEU 14 Ca -0.40 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2ctl h LEU 14 Cb 1.71 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2ctl h LEU 14 CO -0.06 -0.17 0.00 0.08 0.09 0.00 0.00 178.44 178.38 2ctl h ARG 15 N -0.06 0.00 -1.19 1.13 0.11 -1.08 -2.33 114.38 110.96 2ctl h ARG 15 Ca 0.18 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.74 2ctl h ARG 15 Cb 0.34 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 31.19 2ctl h ARG 15 CO -0.41 0.00 0.68 0.43 0.10 0.00 0.00 179.97 180.77 2ctl n SER 16 N -3.03 6.83 -4.44 0.08 7.64 0.10 -3.68 113.62 117.12 2ctl n SER 16 Ca -0.02 -3.48 -0.37 0.00 1.01 0.00 0.00 58.87 56.02 2ctl n SER 16 Cb 0.13 -0.98 -0.12 0.00 -1.01 0.00 0.00 64.21 62.22 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ctl s PHE 17 N -2.98 3.09 -0.23 1.43 2.19 -0.88 -5.00 117.98 115.61 2ctl s PHE 17 Ca 0.51 -0.47 -0.08 0.00 0.33 0.00 0.00 56.93 57.23 2ctl s PHE 17 Cb 0.40 -2.25 -0.03 0.00 -1.31 0.00 0.00 43.02 39.83 2ctl s PHE 17 CO 0.00 -0.38 0.07 0.21 1.83 0.00 0.00 175.22 176.96 2ctl s LYS 18 N 1.61 3.79 0.14 10.12 2.20 -1.26 -2.83 119.74 133.50 2ctl s LYS 18 Ca 0.06 -0.42 0.06 0.00 -0.36 0.00 0.00 55.97 55.31 2ctl s LYS 18 Cb -0.15 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2ctl s LYS 18 CO 0.04 -0.02 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.84 2ctl s LEU 19 N 1.17 3.36 -0.16 5.43 2.96 -0.13 -4.96 118.68 126.35 2ctl s LEU 19 Ca 0.05 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2ctl s LEU 19 Cb -0.14 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.53 2ctl s LEU 19 CO 0.03 0.12 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.15 2ctl s SER 20 N -2.67 2.89 -0.19 3.68 1.04 -1.25 -2.01 113.70 115.19 2ctl s SER 20 Ca 0.26 -0.64 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 2ctl s SER 20 Cb -0.10 -1.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.88 2ctl s SER 20 CO 0.18 -0.13 0.14 -0.69 0.98 0.00 0.00 173.24 173.73 2ctl s VAL 21 N 1.52 5.41 -0.54 5.02 1.01 -0.57 -4.85 120.40 127.40 2ctl s VAL 21 Ca 0.02 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2ctl s VAL 21 Cb -0.14 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.83 2ctl s VAL 21 CO -0.09 0.46 0.70 -0.89 0.00 0.00 0.00 175.10 175.29 2ctl s THR 22 N 0.17 4.77 -0.16 3.92 2.01 -1.26 -0.81 115.64 124.28 2ctl s THR 22 Ca 0.10 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2ctl s THR 22 Cb -0.11 -4.40 0.06 0.00 0.01 0.00 0.00 72.50 68.05 2ctl s THR 22 CO -0.01 -0.97 0.37 -0.69 -0.69 0.00 0.00 174.62 172.64 2ctl s VAL 23 N 2.89 -0.03 0.35 3.82 1.01 0.71 -5.03 120.40 124.12 2ctl s VAL 23 Ca 0.16 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2ctl s VAL 23 Cb -0.20 -0.56 -0.14 0.00 0.00 0.00 0.00 36.38 35.49 2ctl s VAL 23 CO 0.11 0.04 0.67 0.47 0.00 0.00 0.00 175.10 176.39 2ctl n ASP 24 N 4.25 -0.35 0.00 3.32 8.00 -1.26 -4.26 116.55 126.24 2ctl n ASP 24 Ca -0.24 1.02 0.07 0.00 0.71 0.00 0.00 54.79 56.35 2ctl n ASP 24 Cb 0.55 -1.13 0.39 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.69 0.27 0.13 -0.24 -0.04 -1.25 -2.66 135.00 131.90 2ctl n PRO 25 Ca 0.12 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2ctl n PRO 25 Cb 0.35 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.04 0.00 0.54 2.10 -1.91 -3.16 116.57 114.18 2ctl h LYS 26 Ca 0.00 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2ctl h LYS 26 Cb 0.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2ctl h LYS 26 CO 0.00 0.65 -1.64 0.66 -2.00 0.00 0.00 179.45 177.12 2ctl n TYR 27 N -3.80 0.38 -0.23 0.07 4.01 -1.09 -4.40 117.16 112.10 2ctl n TYR 27 Ca -0.01 0.11 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 2ctl n TYR 27 Cb 0.62 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.77 0.00 -0.72 3.86 -1.56 0.75 115.15 115.71 2ctl h HIS 28 Ca -0.02 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctl h HIS 28 Cb 1.06 0.85 0.00 0.00 1.06 0.00 0.00 27.41 30.38 2ctl h HIS 28 CO 0.00 -0.45 0.00 -0.35 0.86 0.00 0.00 177.93 177.99 2ctl n PRO 29 N -5.33 0.19 0.04 2.45 -0.04 -1.26 -2.02 135.00 129.04 2ctl n PRO 29 Ca -0.02 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2ctl n PRO 29 Cb 0.31 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.52 0.00 0.54 4.76 0.24 -4.17 118.16 118.75 2ctl n LYS 30 Ca 0.07 -0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 2ctl n LYS 30 Cb 0.12 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.54 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 0.82 -0.23 -0.18 2.04 -0.26 -3.37 117.51 116.32 2ctl h ILE 31 Ca 0.00 -2.58 0.03 0.00 1.00 0.00 0.00 64.86 63.31 2ctl h ILE 31 Cb 0.91 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 2ctl h ILE 31 CO 0.00 0.71 0.06 0.40 0.00 0.00 0.00 178.15 179.32 2ctl h ILE 32 N 0.04 0.91 0.00 -0.67 2.04 -1.71 -3.33 117.51 114.79 2ctl h ILE 32 Ca -0.33 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2ctl h ILE 32 Cb 2.02 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2ctl h ILE 32 CO 0.10 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.89 2ctl n GLY 33 N -1.18 2.24 0.07 5.37 0.00 -1.26 -2.70 105.19 107.73 2ctl n GLY 33 Ca -0.02 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 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 0.56 -0.07 -0.09 1.61 3.00 -1.26 -3.24 116.66 117.16 2ctl n ARG 34 Ca 0.00 0.84 -0.11 0.00 -0.00 0.00 0.00 57.85 58.59 2ctl n ARG 34 Cb 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 32.46 31.07 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 -3.22 0.96 0.00 -0.14 4.81 -1.26 -5.00 118.16 114.30 2ctl n LYS 35 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2ctl n LYS 35 Cb 0.04 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 2.05 0.58 0.13 3.14 0.00 -1.20 -5.06 105.19 104.83 2ctl n GLY 36 Ca -0.32 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 0.35 -0.32 4.61 0.00 -1.86 -3.24 119.26 118.80 2ctl h ALA 37 Ca 0.00 -1.30 0.07 0.00 0.00 0.00 0.00 54.91 53.68 2ctl h ALA 37 Cb 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2ctl h ALA 37 CO 0.00 1.11 -0.23 0.28 0.00 0.00 0.00 179.25 180.41 2ctl h VAL 38 N -0.19 0.39 -0.45 0.00 2.07 -1.85 -1.44 116.25 114.77 2ctl h VAL 38 Ca -0.39 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2ctl h VAL 38 Cb 1.86 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2ctl h VAL 38 CO 0.03 0.00 0.16 -0.29 0.02 0.00 0.00 177.57 177.49 2ctl h ILE 39 N -0.20 1.22 -0.97 4.57 6.09 -1.62 -2.78 117.51 123.81 2ctl h ILE 39 Ca 0.16 -0.70 0.20 0.00 -1.37 0.00 0.00 64.86 63.16 2ctl h ILE 39 Cb 0.45 0.82 -0.11 0.00 0.47 0.00 0.00 36.82 38.45 2ctl h ILE 39 CO -0.44 0.25 0.56 0.74 -3.07 0.00 0.00 178.15 176.20 2ctl h THR 40 N 0.59 0.64 -0.59 2.19 2.02 -1.37 0.14 112.91 116.54 2ctl h THR 40 Ca 0.15 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2ctl h THR 40 Cb 0.24 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2ctl h THR 40 CO -0.01 0.12 -0.03 -0.61 0.37 0.00 0.00 175.52 175.37 2ctl h GLN 41 N 0.66 1.05 -0.36 6.66 5.75 -1.02 -2.74 115.11 125.11 2ctl h GLN 41 Ca 0.58 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2ctl h GLN 41 Cb 0.97 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2ctl h GLN 41 CO -0.42 1.04 0.01 0.82 -2.65 0.00 0.00 178.83 177.63 2ctl h ILE 42 N 0.95 1.26 -0.05 2.39 2.04 -0.65 -0.73 117.51 122.71 2ctl h ILE 42 Ca 0.16 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2ctl h ILE 42 Cb 0.58 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2ctl h ILE 42 CO 0.03 0.32 -0.18 0.03 0.00 0.00 0.00 178.15 178.36 2ctl h ARG 43 N 0.44 -0.25 -0.70 2.37 3.08 -0.93 -2.09 114.38 116.30 2ctl h ARG 43 Ca 0.10 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2ctl h ARG 43 Cb 0.44 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2ctl h ARG 43 CO 0.02 -0.17 0.17 -0.07 -1.07 0.00 0.00 179.97 178.85 2ctl h LEU 44 N -0.26 1.06 -0.44 3.04 3.38 -1.47 0.66 115.31 121.29 2ctl h LEU 44 Ca 0.07 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2ctl h LEU 44 Cb 0.36 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2ctl h LEU 44 CO -0.20 1.01 -0.18 -0.08 0.09 0.00 0.00 178.44 179.08 2ctl h GLU 45 N 1.05 -0.09 -0.38 1.13 4.57 -0.60 -0.48 114.58 119.79 2ctl h GLU 45 Ca 0.22 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2ctl h GLU 45 Cb 0.37 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2ctl h GLU 45 CO 0.00 -0.06 0.00 0.72 -1.18 0.00 0.00 179.01 178.49 2ctl n HIS 46 N -5.37 0.48 -3.99 0.92 8.25 -0.84 -4.95 115.22 109.72 2ctl n HIS 46 Ca 0.03 -0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 56.96 2ctl n HIS 46 Cb 0.28 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 1.29 -2.22 -4.45 0.41 8.00 0.20 -4.76 116.55 115.03 2ctl n ASP 47 Ca 0.19 -0.94 -0.22 0.00 0.71 0.00 0.00 54.79 54.54 2ctl n ASP 47 Cb 0.56 -3.28 -0.10 0.00 -0.02 0.00 0.00 41.12 38.28 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ctl s VAL 48 N -3.60 1.47 -0.28 2.53 -7.23 0.45 -4.85 120.40 108.89 2ctl s VAL 48 Ca 0.35 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 2ctl s VAL 48 Cb -0.19 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 2ctl s VAL 48 CO 0.88 -0.17 0.10 0.21 -0.31 0.00 0.00 175.10 175.81 2ctl s ASN 49 N -3.47 5.27 -0.18 4.85 3.84 -0.63 -4.53 114.94 120.09 2ctl s ASN 49 Ca 0.32 -0.46 -0.03 0.00 0.21 0.00 0.00 52.86 52.90 2ctl s ASN 49 Cb 0.06 -1.94 -0.02 0.00 -0.55 0.00 0.00 41.25 38.81 2ctl s ASN 49 CO 0.13 -0.13 -0.05 -0.63 -2.79 0.00 0.00 177.10 173.63 2ctl s ILE 50 N 1.58 3.57 -0.05 -5.21 1.01 -1.26 -0.94 121.20 119.90 2ctl s ILE 50 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2ctl s ILE 50 Cb -0.16 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2ctl s ILE 50 CO 0.04 0.47 -0.05 -1.58 0.00 0.00 0.00 174.94 173.82 2ctl s GLN 51 N 0.80 0.88 0.16 2.79 0.74 -0.35 -5.04 119.66 119.64 2ctl s GLN 51 Ca -0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.25 2ctl s GLN 51 Cb -0.15 -0.88 -0.05 0.00 1.10 0.00 0.00 33.01 33.03 2ctl s GLN 51 CO 0.02 -0.09 0.37 -0.06 -0.55 0.00 0.00 175.29 174.98 2ctl s PHE 52 N 0.95 3.48 0.91 1.67 0.40 -1.26 -2.09 117.98 122.05 2ctl s PHE 52 Ca -0.10 0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.54 2ctl s PHE 52 Cb -0.14 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.61 2ctl s PHE 52 CO -0.00 0.42 1.09 -1.25 0.70 0.00 0.00 175.22 176.18 2ctl s PRO 53 N -2.95 1.11 -0.06 0.24 0.04 -1.26 -4.98 135.00 127.14 2ctl s PRO 53 Ca 0.39 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.23 2ctl s PRO 53 Cb -0.12 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2ctl s PRO 53 CO 0.27 -2.33 -0.17 0.34 0.04 0.00 0.00 177.00 175.16 2ctl s ASP 54 N -3.44 3.80 0.21 6.66 2.15 -1.26 -4.98 116.67 119.82 2ctl s ASP 54 Ca 0.64 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 53.32 2ctl s ASP 54 Cb -0.18 -0.90 0.18 0.00 -0.30 0.00 0.00 42.92 41.72 2ctl s ASP 54 CO 0.57 0.31 1.55 0.07 -0.17 0.00 0.00 175.17 177.50 2ctl h LYS 55 N 5.64 0.53 -0.77 4.34 5.09 -1.96 -3.12 116.57 126.32 2ctl h LYS 55 Ca -0.41 -0.30 0.08 0.00 0.09 0.00 0.00 60.65 60.10 2ctl h LYS 55 Cb 1.16 0.02 -0.07 0.00 0.10 0.00 0.00 32.23 33.44 2ctl h LYS 55 CO 0.50 0.90 0.43 -0.44 -2.09 0.00 0.00 179.45 178.75 2ctl h ASP 56 N 0.42 0.62 0.62 7.07 5.19 -1.99 -2.91 116.42 125.45 2ctl h ASP 56 Ca 0.02 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2ctl h ASP 56 Cb 1.00 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2ctl h ASP 56 CO 0.09 0.37 -0.43 -0.78 -3.12 0.00 0.00 179.24 175.38 2ctl h ASP 57 N 0.75 -1.10 0.00 6.45 1.82 -1.93 -3.46 116.42 118.95 2ctl h ASP 57 Ca 0.36 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 2ctl h ASP 57 Cb 0.29 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2ctl h ASP 57 CO -0.23 -0.63 0.00 0.61 -1.61 0.00 0.00 179.24 177.38 2ctl n GLY 58 N -1.52 2.09 0.59 -0.78 0.00 -1.10 -4.64 105.19 99.83 2ctl n GLY 58 Ca -0.12 -0.23 0.47 0.00 0.00 0.00 0.00 46.02 46.13 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 4.00 0.09 -4.88 1.61 5.03 -1.26 -4.29 115.26 115.56 2ctl n ASN 59 Ca 0.00 1.15 -0.31 0.00 0.87 0.00 0.00 54.58 56.30 2ctl n ASN 59 Cb 0.00 -0.57 -0.04 0.00 -1.02 0.00 0.00 39.78 38.15 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ctl s GLN 60 N -5.00 3.74 0.16 3.52 -0.21 -1.26 -5.05 119.66 115.56 2ctl s GLN 60 Ca -0.06 0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.21 2ctl s GLN 60 Cb 0.28 -2.63 -0.08 0.00 1.00 0.00 0.00 33.01 31.58 2ctl s GLN 60 CO 0.84 0.25 1.33 -1.25 -2.12 0.00 0.00 175.29 174.35 2ctl s PRO 61 N -3.15 4.37 0.07 2.91 0.04 -1.26 -4.91 135.00 133.08 2ctl s PRO 61 Ca 0.46 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.78 2ctl s PRO 61 Cb -0.11 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.32 2ctl s PRO 61 CO 0.25 -0.32 1.09 1.04 0.04 0.00 0.00 177.00 179.10 2ctl n GLN 62 N 3.18 0.32 0.02 4.56 1.13 -1.26 -3.93 117.38 121.40 2ctl n GLN 62 Ca 0.08 0.02 0.11 0.00 -1.94 0.00 0.00 57.00 55.27 2ctl n GLN 62 Cb 0.43 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 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 -2.05 0.57 -4.76 1.08 5.68 -1.26 -3.96 116.55 111.85 2ctl n ASP 63 Ca 0.02 -0.25 -0.37 0.00 -0.50 0.00 0.00 54.79 53.68 2ctl n ASP 63 Cb 0.45 1.02 -0.06 0.00 -1.14 0.00 0.00 41.12 41.38 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 -3.24 4.15 -0.14 0.11 -1.52 -1.25 -0.21 119.66 117.56 2ctl s GLN 64 Ca 0.02 0.27 -0.03 0.00 -1.95 0.00 0.00 55.36 53.67 2ctl s GLN 64 Cb 0.14 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 2ctl s GLN 64 CO 0.83 0.36 -0.04 0.42 -0.25 0.00 0.00 175.29 176.61 2ctl s ILE 65 N 0.05 3.90 -0.20 1.08 1.01 0.01 -4.26 121.20 122.79 2ctl s ILE 65 Ca 0.21 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 2ctl s ILE 65 Cb -0.14 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2ctl s ILE 65 CO 0.08 0.51 0.33 -0.89 0.00 0.00 0.00 174.94 174.97 2ctl s THR 66 N 0.18 5.25 -0.05 2.92 2.01 -0.89 -1.51 115.64 123.56 2ctl s THR 66 Ca -0.02 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2ctl s THR 66 Cb -0.14 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2ctl s THR 66 CO 0.03 0.30 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.57 2ctl s ILE 67 N 1.06 0.63 0.14 1.82 1.01 -0.85 -1.21 121.20 123.79 2ctl s ILE 67 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.71 2ctl s ILE 67 Cb -0.14 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2ctl s ILE 67 CO 0.06 0.25 -0.03 -0.89 0.00 0.00 0.00 174.94 174.33 2ctl s THR 68 N 0.92 3.69 -4.88 2.92 2.01 -0.12 -0.95 115.64 119.24 2ctl s THR 68 Ca -0.11 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.60 2ctl s THR 68 Cb -0.14 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2ctl s THR 68 CO 0.00 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2ctl n GLY 69 N 0.24 0.99 3.68 4.40 0.00 -1.13 -1.61 105.19 111.76 2ctl n GLY 69 Ca -0.11 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.84 1.88 0.50 1.61 1.51 -1.25 -3.74 117.35 116.03 2ctl s TYR 70 Ca 0.00 -0.16 0.43 0.00 -1.01 0.00 0.00 57.07 56.33 2ctl s TYR 70 Cb 0.00 -4.21 1.47 0.00 -0.11 0.00 0.00 41.96 39.11 2ctl s TYR 70 CO 0.00 -5.11 1.37 -1.91 -1.11 0.00 0.00 175.55 168.79 2ctl n GLU 71 N 6.23 0.00 -0.04 -0.62 2.13 -1.24 -0.35 120.64 126.75 2ctl n GLU 71 Ca 0.18 0.96 -0.01 0.00 0.66 0.00 0.00 57.16 58.96 2ctl n GLU 71 Cb 0.39 -2.25 -0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 -0.94 5.31 1.79 -1.93 -3.31 116.57 117.49 2ctl h LYS 72 Ca 0.80 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 59.51 2ctl h LYS 72 Cb 3.31 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 33.83 2ctl h LYS 72 CO -0.01 0.00 0.46 -0.91 -1.08 0.00 0.00 179.45 177.92 2ctl h ASN 73 N -0.77 0.44 0.09 0.86 4.21 -1.12 -1.85 115.58 117.45 2ctl h ASN 73 Ca 0.00 0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.67 2ctl h ASN 73 Cb 0.13 0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.40 2ctl h ASN 73 CO 0.00 0.01 -0.42 0.71 -1.29 0.00 0.00 177.43 176.44 2ctl h THR 74 N 0.44 0.00 -0.80 2.81 1.35 -0.85 -2.33 112.91 113.53 2ctl h THR 74 Ca 0.60 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.55 2ctl h THR 74 Cb 1.18 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.48 2ctl h THR 74 CO -0.53 0.00 -0.55 -0.33 -0.25 0.00 0.00 175.52 173.87 2ctl h GLU 75 N -0.59 -0.13 -1.24 4.72 5.08 -1.42 0.96 114.58 121.96 2ctl h GLU 75 Ca -0.00 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.72 2ctl h GLU 75 Cb 0.60 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2ctl h GLU 75 CO -0.23 -0.08 0.86 0.00 -1.00 0.00 0.00 179.01 178.55 2ctl h ALA 76 N 0.45 2.89 0.15 3.43 0.00 -1.37 0.67 119.26 125.48 2ctl h ALA 76 Ca 0.16 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2ctl h ALA 76 Cb 0.50 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ctl h ALA 76 CO -0.83 -1.31 -1.03 0.00 0.00 0.00 0.00 179.25 176.08 2ctl h ALA 77 N 1.46 -0.03 0.00 0.00 0.00 0.13 -3.30 119.26 117.51 2ctl h ALA 77 Ca 0.64 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2ctl h ALA 77 Cb 2.24 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 20.23 2ctl h ALA 77 CO -0.15 0.52 -0.06 0.07 0.00 0.00 0.00 179.25 179.63 2ctl h ARG 78 N -0.31 0.00 0.00 0.00 -0.00 0.24 -2.30 114.38 112.01 2ctl h ARG 78 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.78 2ctl h ARG 78 Cb 1.72 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.69 2ctl h ARG 78 CO 0.14 0.06 -0.02 -0.44 -0.00 0.00 0.00 179.97 179.71 2ctl h ASP 79 N 0.00 0.00 0.00 0.08 3.32 0.11 -3.22 116.42 116.72 2ctl h ASP 79 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ctl h ASP 79 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2ctl h ASP 79 CO 0.01 0.02 -0.00 0.00 -1.72 0.00 0.00 179.24 177.55 2ctl h ALA 80 N 1.98 -0.00 -1.16 3.45 0.00 -1.52 -2.74 119.26 119.26 2ctl h ALA 80 Ca -0.00 -0.45 0.33 0.00 0.00 0.00 0.00 54.91 54.79 2ctl h ALA 80 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2ctl h ALA 80 CO 0.00 -0.03 0.77 0.82 0.00 0.00 0.00 179.25 180.81 2ctl h ILE 81 N -0.94 0.38 0.07 0.00 2.04 -1.60 -1.83 117.51 115.64 2ctl h ILE 81 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2ctl h ILE 81 Cb 0.90 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2ctl h ILE 81 CO 0.00 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.09 2ctl h LEU 82 N 0.23 -0.08 -1.54 1.44 3.38 -1.64 -2.99 115.31 114.12 2ctl h LEU 82 Ca 0.66 -0.09 0.45 0.00 0.09 0.00 0.00 57.88 58.98 2ctl h LEU 82 Cb 1.98 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.69 2ctl h LEU 82 CO -0.27 0.45 1.20 -1.14 0.09 0.00 0.00 178.44 178.77 2ctl n ARG 83 N -4.83 0.00 -0.04 1.13 0.63 -0.73 -0.50 116.66 112.32 2ctl n ARG 83 Ca -0.02 0.93 -0.01 0.00 -0.92 0.00 0.00 57.85 57.83 2ctl n ARG 83 Cb 0.08 -2.18 -0.00 0.00 0.45 0.00 0.00 32.46 30.81 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 -0.95 5.15 2.04 -1.51 -3.35 117.51 118.89 2ctl h ILE 84 Ca 0.73 -0.65 0.33 0.00 1.00 0.00 0.00 64.86 66.27 2ctl h ILE 84 Cb 3.12 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 39.10 2ctl h ILE 84 CO -0.01 0.00 0.61 0.52 0.00 0.00 0.00 178.15 179.27 2ctl n VAL 85 N -3.80 -0.18 0.21 1.67 0.31 0.34 0.11 118.33 116.99 2ctl n VAL 85 Ca -0.01 1.28 -0.15 0.00 -0.01 0.00 0.00 64.34 65.45 2ctl n VAL 85 Cb 0.05 -2.09 -0.08 0.00 -0.91 0.00 0.00 33.84 30.80 2ctl n VAL 85 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ctl h GLY 86 N 0.00 -0.52 1.12 2.92 0.00 -1.58 -0.93 103.07 104.08 2ctl h GLY 86 Ca 0.62 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 48.07 2ctl h GLY 86 CO -0.34 -0.19 0.17 1.05 0.00 0.00 0.00 176.54 177.23 2ctl h GLU 87 N -0.58 1.09 0.05 4.80 4.11 0.67 -3.04 114.58 121.69 2ctl h GLU 87 Ca -0.05 -0.25 0.01 0.00 0.07 0.00 0.00 59.36 59.13 2ctl h GLU 87 Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ctl h GLU 87 CO 0.08 0.96 -0.07 -0.07 0.07 0.00 0.00 179.01 179.99 2ctl h LEU 88 N 1.04 -0.18 -0.81 3.06 3.38 -1.19 -2.12 115.31 118.48 2ctl h LEU 88 Ca 0.22 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.39 2ctl h LEU 88 Cb 0.36 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2ctl h LEU 88 CO 0.00 -0.11 0.30 -0.08 0.09 0.00 0.00 178.44 178.65 2ctl h GLU 89 N -0.15 0.37 0.22 1.13 4.22 -1.06 -1.44 114.58 117.87 2ctl h GLU 89 Ca 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 2ctl h GLU 89 Cb 0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ctl h GLU 89 CO -0.03 0.24 -0.11 0.37 -2.18 0.00 0.00 179.01 177.30 2ctl h GLN 90 N 0.38 -0.29 -6.58 1.92 4.15 -1.36 -3.43 115.11 109.90 2ctl h GLN 90 Ca 0.48 0.02 -0.58 0.00 0.77 0.00 0.00 58.65 59.33 2ctl h GLN 90 Cb 0.83 0.07 0.08 0.00 0.21 0.00 0.00 27.48 28.66 2ctl h GLN 90 CO -0.49 -0.13 0.65 -1.33 -1.93 0.00 0.00 178.83 175.60 2ctl n MET 91 N -5.18 2.06 -4.23 1.69 2.81 -0.54 -5.00 117.12 108.73 2ctl n MET 91 Ca -0.09 0.74 -0.27 0.00 -1.81 0.00 0.00 57.70 56.26 2ctl n MET 91 Cb 0.17 -2.41 -0.06 0.00 -0.71 0.00 0.00 33.22 30.20 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 0.39 4.38 0.00 7.83 1.04 -1.26 -4.94 113.70 121.14 2ctl s SER 92 Ca 0.70 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2ctl s SER 92 Cb -0.65 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2ctl s SER 92 CO 0.48 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2ctl n GLY 93 N -1.35 -0.63 0.00 7.32 0.00 -1.26 -4.97 105.19 104.30 2ctl n GLY 93 Ca -0.05 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.50 2ctl n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctl n PRO 94 N 0.00 0.49 -0.34 1.61 -0.04 -1.26 -3.65 135.00 131.80 2ctl n PRO 94 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 2ctl n PRO 94 Cb 0.00 -1.38 0.39 0.00 -0.04 0.00 0.00 33.50 32.47 2ctl n PRO 94 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2ctl h SER 95 N 0.00 0.67 -2.29 3.54 0.02 -2.00 -3.36 113.55 110.13 2ctl h SER 95 Ca 0.00 0.12 -0.54 0.00 -0.84 0.00 0.00 61.79 60.53 2ctl h SER 95 Cb 0.00 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2ctl h SER 95 CO 0.00 0.15 1.34 -0.55 -1.14 0.00 0.00 176.83 176.64 2ctl s SER 96 N -5.28 5.51 0.00 3.07 0.15 -1.24 -5.28 113.70 110.62 2ctl s SER 96 Ca -0.10 0.93 0.06 0.00 0.70 0.00 0.00 55.95 57.54 2ctl s SER 96 Cb 0.26 -2.52 0.39 0.00 -1.71 0.00 0.00 66.02 62.43 2ctl s SER 96 CO 0.80 -2.08 0.85 0.61 1.20 0.00 0.00 173.24 174.62