#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctl n SER 2 N 0.00 5.37 -4.28 1.61 3.41 -1.26 -4.98 113.62 113.49 2ctl n SER 2 Ca 0.00 -3.01 -0.21 0.00 -0.26 0.00 0.00 58.87 55.39 2ctl n SER 2 Cb 0.00 -1.49 -0.12 0.00 -0.26 0.00 0.00 64.21 62.35 2ctl n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ctl s SER 3 N 2.09 2.35 0.00 4.04 0.15 -1.26 -5.11 113.70 115.95 2ctl s SER 3 Ca 0.38 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2ctl s SER 3 Cb -0.06 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2ctl s SER 3 CO -0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2ctl n GLY 4 N 0.67 -0.93 2.25 9.45 0.00 -1.26 -5.05 105.19 110.31 2ctl n GLY 4 Ca -0.16 0.87 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 2ctl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctl n SER 5 N 0.00 5.08 -4.44 1.61 7.64 -1.26 -5.07 113.62 117.18 2ctl n SER 5 Ca 0.00 -3.74 -0.32 0.00 1.01 0.00 0.00 58.87 55.82 2ctl n SER 5 Cb 0.00 -0.45 0.15 0.00 -1.01 0.00 0.00 64.21 62.90 2ctl n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ctl n SER 6 N -0.62 -1.65 0.00 6.43 2.88 -1.26 -4.89 113.62 114.51 2ctl n SER 6 Ca 0.43 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2ctl n SER 6 Cb 0.81 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 1.32 -0.87 3.19 0.46 0.00 -1.26 -5.14 105.19 102.89 2ctl n GLY 7 Ca 0.06 0.55 -0.26 0.00 0.00 0.00 0.00 46.02 46.38 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 1.55 0.18 1.61 0.41 -1.26 -5.13 118.70 116.06 2ctl s GLU 8 Ca 0.00 -0.67 -0.29 0.00 -0.41 0.00 0.00 54.97 53.60 2ctl s GLU 8 Cb 0.00 -1.49 -0.08 0.00 -1.78 0.00 0.00 34.13 30.79 2ctl s GLU 8 CO 0.00 0.39 0.91 -0.65 -0.49 0.00 0.00 175.26 175.42 2ctl s GLN 9 N -0.40 4.74 -0.55 1.61 -0.21 -1.26 -4.98 119.66 118.61 2ctl s GLN 9 Ca 0.06 1.39 0.03 0.00 0.02 0.00 0.00 55.36 56.86 2ctl s GLN 9 Cb -0.08 -3.31 0.41 0.00 1.00 0.00 0.00 33.01 31.04 2ctl s GLN 9 CO -0.00 0.42 1.50 -0.85 -2.12 0.00 0.00 175.29 174.24 2ctl n GLU 10 N 1.99 3.18 -0.06 2.91 0.28 -1.26 -4.75 120.64 122.93 2ctl n GLU 10 Ca -0.01 -4.00 -0.13 0.00 -0.16 0.00 0.00 57.16 52.86 2ctl n GLU 10 Cb 0.48 -2.27 -0.06 0.00 1.43 0.00 0.00 31.44 31.02 2ctl n GLU 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2ctl h ASP 11 N 2.53 0.42 -1.09 -1.84 5.19 -1.99 -2.22 116.42 117.41 2ctl h ASP 11 Ca 0.43 -0.44 0.32 0.00 -0.62 0.00 0.00 57.03 56.72 2ctl h ASP 11 Cb 0.79 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 2ctl h ASP 11 CO 1.09 0.77 0.95 0.08 -3.12 0.00 0.00 179.24 179.01 2ctl h ARG 12 N 0.07 0.00 0.03 3.56 0.11 -1.99 0.13 114.38 116.29 2ctl h ARG 12 Ca 0.04 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.82 2ctl h ARG 12 Cb 0.63 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.67 2ctl h ARG 12 CO 0.03 0.00 -1.61 0.00 0.10 0.00 0.00 179.97 178.49 2ctl n ALA 13 N -2.55 0.87 -0.13 0.08 0.00 -1.11 -3.76 120.51 113.91 2ctl n ALA 13 Ca 0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2ctl n ALA 13 Cb 1.30 -0.50 0.04 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.73 -0.08 -0.27 0.00 3.38 -0.30 0.27 115.31 117.57 2ctl h LEU 14 Ca -0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2ctl h LEU 14 Cb 1.52 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2ctl h LEU 14 CO -0.17 -0.01 0.00 -2.11 0.09 0.00 0.00 178.44 176.24 2ctl n ARG 15 N -5.15 0.06 -1.19 1.13 1.85 0.23 -2.27 116.66 111.32 2ctl n ARG 15 Ca 0.04 0.34 -0.23 0.00 -1.00 0.00 0.00 57.85 57.00 2ctl n ARG 15 Cb 0.22 -1.63 0.17 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.74 3.78 -4.61 2.89 2.88 0.95 -3.99 113.62 113.77 2ctl n SER 16 Ca 0.02 -3.56 -0.38 0.00 -1.33 0.00 0.00 58.87 53.62 2ctl n SER 16 Cb 0.16 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 62.69 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 -3.20 3.25 -0.22 0.66 2.19 -0.96 -5.01 117.98 114.69 2ctl s PHE 17 Ca 0.55 0.26 -0.06 0.00 0.33 0.00 0.00 56.93 58.02 2ctl s PHE 17 Cb 0.46 -2.44 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 2ctl s PHE 17 CO 0.10 -0.14 0.02 0.21 1.83 0.00 0.00 175.22 177.25 2ctl s LYS 18 N 1.74 3.63 -0.03 10.12 2.20 -1.26 -2.85 119.74 133.28 2ctl s LYS 18 Ca 0.10 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2ctl s LYS 18 Cb -0.16 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2ctl s LYS 18 CO 0.10 -0.07 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.77 2ctl s LEU 19 N 1.23 3.12 -0.29 5.43 2.96 -0.42 -4.95 118.68 125.76 2ctl s LEU 19 Ca 0.04 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2ctl s LEU 19 Cb -0.15 -1.73 0.08 0.00 0.50 0.00 0.00 46.19 44.90 2ctl s LEU 19 CO 0.02 0.32 0.00 -0.94 -1.32 0.00 0.00 176.35 174.43 2ctl s SER 20 N -1.08 4.38 0.09 3.68 1.04 -1.25 -1.02 113.70 119.54 2ctl s SER 20 Ca 0.14 -1.70 -0.22 0.00 0.48 0.00 0.00 55.95 54.66 2ctl s SER 20 Cb -0.11 -1.39 -0.07 0.00 0.10 0.00 0.00 66.02 64.55 2ctl s SER 20 CO 0.04 -0.31 0.66 -0.69 0.98 0.00 0.00 173.24 173.92 2ctl s VAL 21 N 1.16 4.63 -0.56 5.02 1.01 -0.03 -4.80 120.40 126.83 2ctl s VAL 21 Ca 0.03 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 2ctl s VAL 21 Cb -0.19 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.29 2ctl s VAL 21 CO -0.10 0.51 0.63 -0.89 0.00 0.00 0.00 175.10 175.26 2ctl s THR 22 N -0.94 4.93 -0.09 3.92 2.01 -1.26 -0.63 115.64 123.58 2ctl s THR 22 Ca 0.32 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 2ctl s THR 22 Cb -0.21 -4.41 0.05 0.00 0.01 0.00 0.00 72.50 67.94 2ctl s THR 22 CO 0.22 -0.99 0.18 -0.69 -0.69 0.00 0.00 174.62 172.64 2ctl s VAL 23 N 2.39 -0.27 0.33 3.82 1.01 0.80 -5.03 120.40 123.45 2ctl s VAL 23 Ca 0.10 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 2ctl s VAL 23 Cb -0.25 -0.32 -0.15 0.00 0.00 0.00 0.00 36.38 35.67 2ctl s VAL 23 CO 0.06 0.14 0.16 0.47 0.00 0.00 0.00 175.10 175.94 2ctl n ASP 24 N 5.23 -2.34 0.00 3.32 9.92 -1.26 -4.35 116.55 127.08 2ctl n ASP 24 Ca -0.07 0.81 0.06 0.00 -0.53 0.00 0.00 54.79 55.07 2ctl n ASP 24 Cb 0.50 -0.83 0.37 0.00 -0.64 0.00 0.00 41.12 40.52 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 1.17 0.49 0.11 -0.24 -0.04 -1.25 -2.84 135.00 132.40 2ctl n PRO 25 Ca 0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 2ctl n PRO 25 Cb 0.34 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.55 0.00 0.54 2.10 -1.89 -3.30 116.57 114.56 2ctl h LYS 26 Ca 0.00 -0.83 0.00 0.00 -2.00 0.00 0.00 60.65 57.82 2ctl h LYS 26 Cb 0.00 0.29 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ctl h LYS 26 CO 0.00 1.38 -0.59 1.88 -2.00 0.00 0.00 179.45 180.12 2ctl h TYR 27 N 0.14 0.00 -0.50 0.07 0.05 -1.86 -3.38 116.97 111.48 2ctl h TYR 27 Ca -0.21 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.63 2ctl h TYR 27 Cb 1.97 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.62 2ctl h TYR 27 CO 0.13 0.00 -0.56 0.45 -1.05 0.00 0.00 178.16 177.14 2ctl h HIS 28 N 0.00 -1.72 0.00 4.88 3.86 -1.63 0.59 115.15 121.13 2ctl h HIS 28 Ca 0.00 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ctl h HIS 28 Cb 0.92 0.81 0.00 0.00 1.06 0.00 0.00 27.41 30.20 2ctl h HIS 28 CO 0.00 -0.46 0.00 -0.35 0.86 0.00 0.00 177.93 177.98 2ctl n PRO 29 N -5.31 0.16 0.02 2.45 -0.04 -1.26 -2.20 135.00 128.81 2ctl n PRO 29 Ca -0.03 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2ctl n PRO 29 Cb 0.32 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.64 0.06 0.54 4.76 0.18 -4.16 118.16 118.84 2ctl n LYS 30 Ca 0.06 0.10 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 2ctl n LYS 30 Cb 0.13 -1.72 -0.15 0.00 -1.84 0.00 0.00 35.03 31.46 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 -0.76 -0.18 2.04 -0.27 -3.35 117.51 115.94 2ctl h ILE 31 Ca -0.17 -2.58 0.13 0.00 1.00 0.00 0.00 64.86 63.24 2ctl h ILE 31 Cb 1.50 2.72 -0.09 0.00 -0.74 0.00 0.00 36.82 40.21 2ctl h ILE 31 CO 0.03 0.84 0.35 0.40 0.00 0.00 0.00 178.15 179.77 2ctl h ILE 32 N 0.09 0.73 0.00 -0.67 2.04 -1.69 -3.32 117.51 114.69 2ctl h ILE 32 Ca -0.32 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2ctl h ILE 32 Cb 2.07 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2ctl h ILE 32 CO 0.16 0.10 0.00 0.61 0.00 0.00 0.00 178.15 179.02 2ctl n GLY 33 N -1.32 2.53 0.23 5.37 0.00 -1.26 -2.62 105.19 108.12 2ctl n GLY 33 Ca 0.14 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 2ctl n GLY 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ctl h ARG 34 N 0.00 0.78 0.00 1.61 2.43 -1.91 -3.34 114.38 113.96 2ctl h ARG 34 Ca 0.00 -0.49 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2ctl h ARG 34 Cb 0.00 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2ctl h ARG 34 CO 0.00 1.11 -1.79 1.17 -1.51 0.00 0.00 179.97 178.96 2ctl n LYS 35 N -4.12 1.03 0.00 0.20 3.00 -1.26 -5.01 118.16 112.01 2ctl n LYS 35 Ca -0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2ctl n LYS 35 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctl n GLY 36 N 1.88 1.20 0.11 3.14 0.00 -1.26 -4.98 105.19 105.28 2ctl n GLY 36 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.65 -0.31 4.61 0.00 -1.91 -3.32 119.26 118.97 2ctl h ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ctl h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ctl h ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 2ctl n VAL 38 N -2.46 0.00 -0.31 0.00 0.31 -1.25 -2.66 118.33 111.96 2ctl n VAL 38 Ca 0.02 1.07 0.25 0.00 -0.01 0.00 0.00 64.34 65.67 2ctl n VAL 38 Cb 0.49 -2.03 0.55 0.00 -0.91 0.00 0.00 33.84 31.94 2ctl n VAL 38 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 2ctl h ILE 39 N 0.00 0.52 -0.53 2.52 6.09 -1.61 0.87 117.51 125.36 2ctl h ILE 39 Ca 0.00 -0.11 0.05 0.00 -1.37 0.00 0.00 64.86 63.43 2ctl h ILE 39 Cb 0.00 0.17 -0.05 0.00 0.47 0.00 0.00 36.82 37.41 2ctl h ILE 39 CO 0.00 0.06 0.27 0.74 -3.07 0.00 0.00 178.15 176.14 2ctl h THR 40 N 0.32 0.94 0.14 2.19 2.02 -1.65 -1.18 112.91 115.69 2ctl h THR 40 Ca 0.57 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.57 2ctl h THR 40 Cb 1.60 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2ctl h THR 40 CO -0.23 0.09 -0.08 -0.61 0.37 0.00 0.00 175.52 175.06 2ctl h GLN 41 N 0.51 -0.19 -0.85 6.66 -0.00 -0.59 -2.31 115.11 118.33 2ctl h GLN 41 Ca 0.24 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 59.00 2ctl h GLN 41 Cb 0.16 0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.63 2ctl h GLN 41 CO -0.17 -0.13 0.55 0.82 0.00 0.00 0.00 178.83 179.90 2ctl h ILE 42 N -0.20 0.95 0.26 2.39 2.04 -1.33 0.18 117.51 121.80 2ctl h ILE 42 Ca -0.01 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2ctl h ILE 42 Cb 0.16 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2ctl h ILE 42 CO 0.02 0.15 -0.12 0.03 0.00 0.00 0.00 178.15 178.22 2ctl h ARG 43 N 0.81 -0.33 -0.59 2.37 3.08 -0.77 -2.65 114.38 116.30 2ctl h ARG 43 Ca 0.39 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.37 2ctl h ARG 43 Cb 0.43 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2ctl h ARG 43 CO -0.16 -0.20 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.44 2ctl h LEU 44 N -0.38 1.05 -0.31 3.04 3.38 -0.89 0.60 115.31 121.80 2ctl h LEU 44 Ca -0.04 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2ctl h LEU 44 Cb 0.29 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 2ctl h LEU 44 CO 0.06 1.11 -0.47 -0.08 0.09 0.00 0.00 178.44 179.15 2ctl h GLU 45 N 0.96 -0.40 -0.02 1.13 4.57 -0.52 -0.72 114.58 119.58 2ctl h GLU 45 Ca 0.16 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2ctl h GLU 45 Cb 0.60 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2ctl h GLU 45 CO 0.04 -0.27 -0.07 0.72 -1.18 0.00 0.00 179.01 178.25 2ctl n HIS 46 N -5.42 0.00 -3.49 0.92 8.25 -1.01 -4.96 115.22 109.51 2ctl n HIS 46 Ca -0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 2ctl n HIS 46 Cb 0.36 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.50 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 0.16 -3.89 -4.19 0.41 9.92 0.17 -4.77 116.55 114.36 2ctl n ASP 47 Ca 0.17 -0.78 -0.12 0.00 -0.53 0.00 0.00 54.79 53.53 2ctl n ASP 47 Cb 0.39 -4.53 -0.10 0.00 -0.64 0.00 0.00 41.12 36.24 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 -3.48 0.44 -0.29 2.53 -7.23 0.76 -4.75 120.40 108.37 2ctl s VAL 48 Ca 0.24 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2ctl s VAL 48 Cb -0.05 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2ctl s VAL 48 CO 0.78 -0.53 0.20 0.21 -0.31 0.00 0.00 175.10 175.46 2ctl s ASN 49 N -3.10 6.03 -0.05 4.85 3.04 -0.04 -4.55 114.94 121.11 2ctl s ASN 49 Ca 0.22 -0.07 0.05 0.00 0.04 0.00 0.00 52.86 53.10 2ctl s ASN 49 Cb 0.07 -2.12 -0.02 0.00 -1.54 0.00 0.00 41.25 37.63 2ctl s ASN 49 CO 0.02 -0.08 -0.20 -0.63 -3.04 0.00 0.00 177.10 173.17 2ctl s ILE 50 N 1.76 2.57 0.08 -5.21 1.01 -1.26 -0.54 121.20 119.61 2ctl s ILE 50 Ca 0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 2ctl s ILE 50 Cb -0.16 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.35 2ctl s ILE 50 CO 0.11 0.58 0.28 -1.10 0.00 0.00 0.00 174.94 174.80 2ctl s GLN 51 N -0.43 0.88 0.17 2.79 -1.52 -0.82 -5.04 119.66 115.70 2ctl s GLN 51 Ca 0.05 -0.73 0.11 0.00 -1.95 0.00 0.00 55.36 52.84 2ctl s GLN 51 Cb -0.12 0.37 -0.04 0.00 -0.22 0.00 0.00 33.01 33.00 2ctl s GLN 51 CO 0.02 -0.30 -0.24 -0.06 -0.25 0.00 0.00 175.29 174.45 2ctl s PHE 52 N -3.33 2.25 0.83 0.91 0.40 -1.26 -2.86 117.98 114.92 2ctl s PHE 52 Ca 0.01 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2ctl s PHE 52 Cb 0.02 -1.15 0.09 0.00 0.51 0.00 0.00 43.02 42.49 2ctl s PHE 52 CO -0.08 0.43 1.09 -1.25 0.70 0.00 0.00 175.22 176.11 2ctl s PRO 53 N -2.47 1.75 -0.15 0.24 0.04 -1.26 -5.00 135.00 128.15 2ctl s PRO 53 Ca 0.18 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 2ctl s PRO 53 Cb -0.08 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2ctl s PRO 53 CO 0.08 -1.95 0.01 0.34 0.04 0.00 0.00 177.00 175.52 2ctl s ASP 54 N -3.41 5.20 0.32 6.66 -1.08 -1.26 -4.96 116.67 118.14 2ctl s ASP 54 Ca 0.62 0.00 0.14 0.00 -0.52 0.00 0.00 52.55 52.79 2ctl s ASP 54 Cb -0.18 -1.80 0.49 0.00 -1.46 0.00 0.00 42.92 39.98 2ctl s ASP 54 CO 0.56 0.21 1.67 0.07 0.52 0.00 0.00 175.17 178.20 2ctl h LYS 55 N 6.41 0.00 -0.94 4.34 2.10 -1.96 -3.09 116.57 123.42 2ctl h LYS 55 Ca -0.37 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.39 2ctl h LYS 55 Cb 1.18 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.44 2ctl h LYS 55 CO 0.64 0.52 0.60 0.22 -2.00 0.00 0.00 179.45 179.43 2ctl h ASP 56 N 0.00 0.84 0.15 7.07 3.58 -2.00 -3.07 116.42 122.99 2ctl h ASP 56 Ca -0.01 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2ctl h ASP 56 Cb 1.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2ctl h ASP 56 CO 0.07 0.47 -0.07 -0.78 -2.88 0.00 0.00 179.24 176.04 2ctl h ASP 57 N 0.91 -0.17 0.00 2.28 1.82 -1.94 -3.48 116.42 115.85 2ctl h ASP 57 Ca 0.45 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 2ctl h ASP 57 Cb 0.48 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2ctl h ASP 57 CO -0.22 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 2ctl n GLY 58 N -0.28 1.91 0.31 -0.78 0.00 -1.16 -4.77 105.19 100.41 2ctl n GLY 58 Ca -0.02 -0.63 0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 3.67 0.27 -4.81 1.61 5.03 -1.26 -4.36 115.26 115.40 2ctl n ASN 59 Ca 0.00 1.61 -0.33 0.00 0.87 0.00 0.00 54.58 56.73 2ctl n ASN 59 Cb 0.00 -0.75 -0.03 0.00 -1.02 0.00 0.00 39.78 37.98 2ctl n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ctl s GLN 60 N -5.55 3.77 0.04 3.52 -2.07 -1.26 -5.00 119.66 113.12 2ctl s GLN 60 Ca -0.09 1.18 -0.31 0.00 -1.82 0.00 0.00 55.36 54.32 2ctl s GLN 60 Cb 0.32 -2.10 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 2ctl s GLN 60 CO 0.75 -0.44 1.41 -1.25 -1.32 0.00 0.00 175.29 174.45 2ctl s PRO 61 N -3.67 4.29 0.00 9.60 0.04 -1.26 -4.91 135.00 139.10 2ctl s PRO 61 Ca 0.63 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.94 2ctl s PRO 61 Cb -0.14 -3.47 0.40 0.00 0.04 0.00 0.00 34.50 31.34 2ctl s PRO 61 CO 0.26 -0.54 1.34 1.04 0.04 0.00 0.00 177.00 179.15 2ctl n GLN 62 N 4.92 0.31 0.00 4.56 1.13 -1.26 -3.84 117.38 123.20 2ctl n GLN 62 Ca 0.13 -0.21 0.09 0.00 -1.94 0.00 0.00 57.00 55.06 2ctl n GLN 62 Cb 0.43 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 2ctl n GLN 62 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ctl n ASP 63 N -1.16 1.37 -4.69 1.08 5.75 -1.26 -3.84 116.55 113.79 2ctl n ASP 63 Ca 0.07 -1.18 -0.37 0.00 -0.01 0.00 0.00 54.79 53.30 2ctl n ASP 63 Cb 0.35 0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 41.05 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2ctl s GLN 64 N -2.30 4.18 -0.22 0.11 -1.52 -1.25 -0.14 119.66 118.53 2ctl s GLN 64 Ca 0.11 0.03 -0.06 0.00 -1.95 0.00 0.00 55.36 53.49 2ctl s GLN 64 Cb 0.14 -3.49 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 2ctl s GLN 64 CO 0.56 0.10 0.04 0.42 -0.25 0.00 0.00 175.29 176.16 2ctl s ILE 65 N 0.89 4.20 -0.08 1.08 1.01 0.19 -4.19 121.20 124.31 2ctl s ILE 65 Ca 0.15 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 2ctl s ILE 65 Cb -0.14 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2ctl s ILE 65 CO 0.05 0.40 0.50 -0.89 0.00 0.00 0.00 174.94 175.00 2ctl s THR 66 N 1.16 5.11 -0.08 2.92 2.01 -1.14 -0.85 115.64 124.77 2ctl s THR 66 Ca 0.04 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 2ctl s THR 66 Cb -0.14 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.57 2ctl s THR 66 CO 0.02 0.37 0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 2ctl s ILE 67 N 0.26 0.15 0.16 1.82 1.01 -0.19 -1.94 121.20 122.47 2ctl s ILE 67 Ca 0.27 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2ctl s ILE 67 Cb -0.16 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2ctl s ILE 67 CO 0.12 0.12 0.30 -0.89 0.00 0.00 0.00 174.94 174.60 2ctl s THR 68 N 2.06 5.31 -4.16 2.92 2.01 0.30 -1.30 115.64 122.77 2ctl s THR 68 Ca 0.04 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2ctl s THR 68 Cb -0.13 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2ctl s THR 68 CO -0.05 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 2ctl n GLY 69 N -0.56 0.95 3.67 4.40 0.00 -1.13 -0.86 105.19 111.66 2ctl n GLY 69 Ca -0.07 -2.00 -0.48 0.00 0.00 0.00 0.00 46.02 43.47 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 2.14 2.26 -0.25 1.61 4.02 -1.24 -3.85 117.16 121.85 2ctl n TYR 70 Ca 0.00 0.14 0.24 0.00 -0.01 0.00 0.00 57.90 58.28 2ctl n TYR 70 Cb 0.00 -2.60 0.45 0.00 -0.02 0.00 0.00 39.34 37.17 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 5.31 -0.04 -0.00 -0.72 2.13 -1.23 -0.19 120.64 125.89 2ctl n GLU 71 Ca 0.21 1.02 -0.01 0.00 0.66 0.00 0.00 57.16 59.03 2ctl n GLU 71 Cb 0.28 -1.84 -0.01 0.00 0.27 0.00 0.00 31.44 30.14 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 -0.09 -1.37 5.31 1.57 -1.93 -3.15 116.57 116.90 2ctl h LYS 72 Ca 0.63 0.01 0.42 0.00 -1.87 0.00 0.00 60.65 59.84 2ctl h LYS 72 Cb 1.72 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.94 2ctl h LYS 72 CO -0.55 -0.06 0.92 -0.91 -0.57 0.00 0.00 179.45 178.28 2ctl h ASN 73 N -0.89 0.20 0.68 0.86 4.21 -1.05 0.13 115.58 119.72 2ctl h ASN 73 Ca -0.01 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 2ctl h ASN 73 Cb 0.07 0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2ctl h ASN 73 CO 0.02 -0.09 -0.33 0.71 -1.29 0.00 0.00 177.43 176.45 2ctl h THR 74 N 0.10 0.06 -0.98 2.81 1.35 -0.67 -2.74 112.91 112.85 2ctl h THR 74 Ca 0.77 -0.32 0.30 0.00 -0.55 0.00 0.00 66.41 66.61 2ctl h THR 74 Cb 2.58 0.08 -0.15 0.00 -1.73 0.00 0.00 68.15 68.93 2ctl h THR 74 CO -0.27 0.01 0.49 -0.33 -0.25 0.00 0.00 175.52 175.17 2ctl h GLU 75 N -1.21 0.29 -0.05 4.72 5.08 -0.94 1.31 114.58 123.78 2ctl h GLU 75 Ca -0.09 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2ctl h GLU 75 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2ctl h GLU 75 CO 0.15 0.19 -0.22 0.00 -1.00 0.00 0.00 179.01 178.13 2ctl h ALA 76 N 1.84 1.54 0.01 3.43 0.00 -1.39 -1.36 119.26 123.33 2ctl h ALA 76 Ca 0.69 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 55.11 2ctl h ALA 76 Cb 1.54 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2ctl h ALA 76 CO -0.62 0.34 -1.43 0.00 0.00 0.00 0.00 179.25 177.53 2ctl h ALA 77 N 1.70 0.57 0.00 0.00 0.00 0.17 -3.31 119.26 118.39 2ctl h ALA 77 Ca 0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 54.91 53.64 2ctl h ALA 77 Cb 0.44 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ctl h ALA 77 CO 0.03 1.42 -0.23 0.07 0.00 0.00 0.00 179.25 180.54 2ctl h ARG 78 N 0.01 0.00 -0.09 0.00 -0.00 0.13 -3.05 114.38 111.37 2ctl h ARG 78 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.71 2ctl h ARG 78 Cb 1.92 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.88 2ctl h ARG 78 CO 0.11 0.23 -0.33 0.22 -0.00 0.00 0.00 179.97 180.19 2ctl h ASP 79 N 0.00 0.19 0.53 0.08 3.58 -1.35 -3.22 116.42 116.23 2ctl h ASP 79 Ca -0.00 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2ctl h ASP 79 Cb 0.89 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.89 2ctl h ASP 79 CO 0.03 0.52 -0.26 0.00 -2.88 0.00 0.00 179.24 176.65 2ctl h ALA 80 N 1.50 -0.72 -1.68 -0.78 0.00 -1.68 -1.27 119.26 114.63 2ctl h ALA 80 Ca 0.02 -0.19 0.52 0.00 0.00 0.00 0.00 54.91 55.25 2ctl h ALA 80 Cb 0.67 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 2ctl h ALA 80 CO 0.05 -0.75 1.17 -0.89 0.00 0.00 0.00 179.25 178.83 2ctl n ILE 81 N -5.29 -0.10 -0.09 0.00 5.41 -1.22 0.26 119.36 118.34 2ctl n ILE 81 Ca -0.11 1.55 -0.18 0.00 1.00 0.00 0.00 62.75 65.01 2ctl n ILE 81 Cb 0.32 -2.57 -0.12 0.00 -0.71 0.00 0.00 39.64 36.57 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 -1.29 1.39 3.38 -1.59 -3.11 115.31 114.09 2ctl h LEU 82 Ca 0.88 -0.70 0.33 0.00 0.09 0.00 0.00 57.88 58.48 2ctl h LEU 82 Cb 3.29 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 43.92 2ctl h LEU 82 CO -0.18 1.26 0.70 -0.09 0.09 0.00 0.00 178.44 180.22 2ctl h ARG 83 N -1.00 0.28 0.22 1.13 2.43 0.10 -1.54 114.38 116.00 2ctl h ARG 83 Ca -0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2ctl h ARG 83 Cb 1.15 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2ctl h ARG 83 CO -0.12 0.19 -0.11 0.82 -1.51 0.00 0.00 179.97 179.24 2ctl h ILE 84 N 0.29 0.00 -1.12 1.20 2.04 -1.34 -3.30 117.51 115.29 2ctl h ILE 84 Ca 0.69 -0.68 0.42 0.00 1.00 0.00 0.00 64.86 66.29 2ctl h ILE 84 Cb 1.86 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.79 2ctl h ILE 84 CO -0.40 0.00 0.67 0.52 0.00 0.00 0.00 178.15 178.94 2ctl n VAL 85 N -4.71 -0.32 0.07 1.67 0.31 -0.75 0.43 118.33 115.04 2ctl n VAL 85 Ca -0.04 1.81 -0.12 0.00 -0.01 0.00 0.00 64.34 65.99 2ctl n VAL 85 Cb 0.12 -2.95 -0.05 0.00 -0.91 0.00 0.00 33.84 30.04 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 -0.18 0.95 2.92 0.00 -1.39 -2.67 103.07 102.70 2ctl h GLY 86 Ca 0.82 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 48.25 2ctl h GLY 86 CO -0.59 -0.12 0.14 1.05 0.00 0.00 0.00 176.54 177.03 2ctl h GLU 87 N -0.22 0.68 -1.05 4.80 4.11 -0.11 -2.46 114.58 120.33 2ctl h GLU 87 Ca 0.03 -0.14 0.30 0.00 0.07 0.00 0.00 59.36 59.61 2ctl h GLU 87 Cb 0.25 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2ctl h GLU 87 CO -0.08 0.66 0.75 -0.07 0.07 0.00 0.00 179.01 180.33 2ctl h LEU 88 N 0.57 0.03 0.04 3.06 3.38 -1.14 0.61 115.31 121.86 2ctl h LEU 88 Ca 0.14 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ctl h LEU 88 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ctl h LEU 88 CO -0.01 0.01 -0.02 -0.33 0.09 0.00 0.00 178.44 178.18 2ctl h GLU 89 N 0.03 -0.05 -0.72 1.13 4.39 -1.11 -3.34 114.58 114.91 2ctl h GLU 89 Ca 0.50 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.31 2ctl h GLU 89 Cb 1.96 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.55 2ctl h GLU 89 CO -0.02 0.55 0.35 1.96 -1.16 0.00 0.00 179.01 180.69 2ctl h GLN 90 N -0.94 0.57 -6.87 2.33 1.08 -0.99 -3.41 115.11 106.88 2ctl h GLN 90 Ca -0.01 -0.03 -0.49 0.00 -1.45 0.00 0.00 58.65 56.67 2ctl h GLN 90 Cb 0.62 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2ctl h GLN 90 CO 0.01 0.38 0.43 0.00 -0.95 0.00 0.00 178.83 178.70 2ctl s MET 91 N -6.05 4.47 0.20 1.46 0.23 0.08 -4.98 119.30 114.70 2ctl s MET 91 Ca -0.13 1.63 -0.31 0.00 -1.03 0.00 0.00 55.69 55.86 2ctl s MET 91 Cb 0.18 -2.92 -0.10 0.00 -1.53 0.00 0.00 34.83 30.46 2ctl s MET 91 CO 0.76 0.10 1.55 -1.54 -2.03 0.00 0.00 175.02 173.86 2ctl s SER 92 N -1.22 6.58 0.00 -1.18 1.04 -1.26 -4.60 113.70 113.06 2ctl s SER 92 Ca 0.50 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.59 2ctl s SER 92 Cb -0.27 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.25 2ctl s SER 92 CO 0.34 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2ctl n GLY 93 N 3.27 -1.45 3.55 7.32 0.00 -1.26 -5.08 105.19 111.54 2ctl n GLY 93 Ca 0.12 0.55 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 2ctl n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctl s PRO 94 N 0.00 2.62 -0.26 1.61 0.04 -1.26 -4.96 135.00 132.79 2ctl s PRO 94 Ca 0.00 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 2ctl s PRO 94 Cb 0.00 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 30.15 2ctl s PRO 94 CO 0.00 -2.77 -0.05 -1.12 0.04 0.00 0.00 177.00 173.11 2ctl s SER 95 N 8.11 4.44 -0.18 6.66 0.01 -1.26 -4.91 113.70 126.56 2ctl s SER 95 Ca 0.67 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 2ctl s SER 95 Cb -0.12 -1.67 0.07 0.00 0.21 0.00 0.00 66.02 64.50 2ctl s SER 95 CO 0.20 -0.15 0.43 -0.44 0.41 0.00 0.00 173.24 173.68 2ctl s SER 96 N 1.31 -0.48 0.00 2.44 0.01 -1.26 -5.30 113.70 110.42 2ctl s SER 96 Ca -0.01 0.95 0.03 0.00 1.31 0.00 0.00 55.95 58.23 2ctl s SER 96 Cb -0.17 0.95 0.02 0.00 0.21 0.00 0.00 66.02 67.03 2ctl s SER 96 CO -0.04 -0.21 0.59 0.61 0.41 0.00 0.00 173.24 174.60