#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 -0.62 -0.31 1.61 1.04 -1.26 -5.13 113.70 109.03 2ctl s SER 2 Ca 0.00 0.95 -0.24 0.00 0.48 0.00 0.00 55.95 57.14 2ctl s SER 2 Cb 0.00 0.91 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2ctl s SER 2 CO 0.00 -0.40 0.83 -0.44 0.98 0.00 0.00 173.24 174.22 2ctl s SER 3 N -0.42 6.69 -0.24 7.02 0.01 -1.26 -4.52 113.70 120.98 2ctl s SER 3 Ca -0.06 0.70 -0.08 0.00 1.31 0.00 0.00 55.95 57.83 2ctl s SER 3 Cb -0.03 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2ctl s SER 3 CO 0.05 -0.66 0.18 0.61 0.41 0.00 0.00 173.24 173.82 2ctl n GLY 4 N 4.17 -1.85 0.17 3.44 0.00 -1.26 -4.96 105.19 104.91 2ctl n GLY 4 Ca 0.05 0.52 -0.06 0.00 0.00 0.00 0.00 46.02 46.54 2ctl n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctl h SER 5 N 2.96 -0.29 -4.13 1.61 0.87 -2.03 -3.46 113.55 109.08 2ctl h SER 5 Ca -0.08 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 59.94 2ctl h SER 5 Cb 0.67 0.07 0.12 0.00 -0.44 0.00 0.00 62.40 62.83 2ctl h SER 5 CO 0.10 0.18 0.44 -0.44 -0.53 0.00 0.00 176.83 176.58 2ctl s SER 6 N -5.18 4.91 0.00 6.23 0.01 -1.26 -4.73 113.70 113.68 2ctl s SER 6 Ca -0.06 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2ctl s SER 6 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2ctl s SER 6 CO 0.17 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.65 2ctl n GLY 7 N 0.36 -0.93 3.24 3.44 0.00 -1.26 -5.12 105.19 104.93 2ctl n GLY 7 Ca 0.13 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.41 0.30 1.61 2.02 -1.26 -5.17 118.70 116.60 2ctl s GLU 8 Ca 0.00 0.51 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 2ctl s GLU 8 Cb 0.00 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.40 2ctl s GLU 8 CO 0.00 -0.06 0.36 1.14 0.02 0.00 0.00 175.26 176.72 2ctl s GLN 9 N 0.28 1.69 -0.79 1.61 -2.07 -1.26 -5.09 119.66 114.04 2ctl s GLN 9 Ca -0.01 -1.74 0.02 0.00 -1.82 0.00 0.00 55.36 51.81 2ctl s GLN 9 Cb -0.03 0.38 0.31 0.00 -1.09 0.00 0.00 33.01 32.58 2ctl s GLN 9 CO -0.00 -0.66 1.21 -0.85 -1.32 0.00 0.00 175.29 173.67 2ctl n GLU 10 N -0.50 3.85 -0.19 9.60 0.28 -1.26 -4.83 120.64 127.58 2ctl n GLU 10 Ca 0.03 -4.72 -0.08 0.00 -0.16 0.00 0.00 57.16 52.22 2ctl n GLU 10 Cb 0.63 -2.35 0.02 0.00 1.43 0.00 0.00 31.44 31.16 2ctl n GLU 10 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2ctl h ASP 11 N 3.97 0.77 -0.92 -1.84 3.58 -1.98 -1.68 116.42 118.32 2ctl h ASP 11 Ca 0.26 -0.21 0.25 0.00 0.42 0.00 0.00 57.03 57.75 2ctl h ASP 11 Cb 0.51 -0.20 -0.14 0.00 1.72 0.00 0.00 39.33 41.22 2ctl h ASP 11 CO 1.00 0.77 0.37 0.08 -2.88 0.00 0.00 179.24 178.59 2ctl h ARG 12 N 0.73 0.30 0.11 0.28 0.11 -1.99 0.22 114.38 114.14 2ctl h ARG 12 Ca 0.17 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 60.05 2ctl h ARG 12 Cb 0.28 -0.07 0.02 0.00 1.11 0.00 0.00 29.97 31.31 2ctl h ARG 12 CO -0.01 0.20 -0.79 0.00 0.10 0.00 0.00 179.97 179.47 2ctl h ALA 13 N 1.77 -0.06 -0.20 0.08 0.00 -1.91 -3.27 119.26 115.67 2ctl h ALA 13 Ca 0.60 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ctl h ALA 13 Cb 1.22 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2ctl h ALA 13 CO -0.60 0.38 -0.19 -0.07 0.00 0.00 0.00 179.25 178.77 2ctl h LEU 14 N -0.29 -0.61 -1.54 0.00 3.38 -0.16 0.25 115.31 116.34 2ctl h LEU 14 Ca -0.13 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ctl h LEU 14 Cb 1.59 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2ctl h LEU 14 CO 0.15 -0.23 0.02 0.08 0.09 0.00 0.00 178.44 178.54 2ctl h ARG 15 N -0.21 0.00 -0.76 1.13 0.11 -0.78 0.51 114.38 114.39 2ctl h ARG 15 Ca 0.12 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.94 2ctl h ARG 15 Cb 0.39 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.31 2ctl h ARG 15 CO -0.33 0.00 0.32 0.45 0.10 0.00 0.00 179.97 180.52 2ctl n SER 16 N -2.32 4.49 -4.68 0.08 2.88 0.87 -4.19 113.62 110.75 2ctl n SER 16 Ca -0.02 -3.32 -0.41 0.00 -1.33 0.00 0.00 58.87 53.79 2ctl n SER 16 Cb 0.05 -0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 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 -3.07 3.46 -0.20 0.66 2.19 0.17 -5.00 117.98 116.19 2ctl s PHE 17 Ca 0.55 1.28 -0.03 0.00 0.33 0.00 0.00 56.93 59.05 2ctl s PHE 17 Cb 0.44 -2.99 -0.01 0.00 -1.31 0.00 0.00 43.02 39.16 2ctl s PHE 17 CO 0.12 -0.18 -0.06 0.21 1.83 0.00 0.00 175.22 177.14 2ctl s LYS 18 N 1.89 3.39 0.14 10.12 2.20 -1.26 -2.94 119.74 133.26 2ctl s LYS 18 Ca 0.39 -0.63 0.06 0.00 -0.36 0.00 0.00 55.97 55.42 2ctl s LYS 18 Cb -0.17 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2ctl s LYS 18 CO 0.14 -0.11 0.03 -1.17 -0.36 0.00 0.00 175.35 173.88 2ctl s LEU 19 N 1.24 3.50 -0.20 5.43 2.96 0.04 -4.97 118.68 126.69 2ctl s LEU 19 Ca 0.03 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2ctl s LEU 19 Cb -0.14 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.43 2ctl s LEU 19 CO -0.02 0.12 -0.00 -0.94 -1.32 0.00 0.00 176.35 174.18 2ctl s SER 20 N -2.73 3.13 -0.13 3.68 1.04 -1.25 -1.99 113.70 115.45 2ctl s SER 20 Ca 0.28 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.62 2ctl s SER 20 Cb -0.10 -0.81 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 2ctl s SER 20 CO 0.20 -0.26 0.60 -0.69 0.98 0.00 0.00 173.24 174.07 2ctl s VAL 21 N 1.69 5.08 -0.58 5.02 1.01 -0.77 -4.80 120.40 127.05 2ctl s VAL 21 Ca -0.02 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 2ctl s VAL 21 Cb -0.17 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.33 2ctl s VAL 21 CO -0.07 0.23 0.91 -0.89 0.00 0.00 0.00 175.10 175.27 2ctl s THR 22 N 1.13 4.43 -0.20 3.92 2.01 -1.26 -1.09 115.64 124.58 2ctl s THR 22 Ca 0.31 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 2ctl s THR 22 Cb -0.16 -4.56 0.09 0.00 0.01 0.00 0.00 72.50 67.87 2ctl s THR 22 CO 0.13 -1.20 0.44 -0.69 -0.69 0.00 0.00 174.62 172.61 2ctl s VAL 23 N 3.81 -0.51 0.24 3.82 1.01 0.58 -5.04 120.40 124.31 2ctl s VAL 23 Ca 0.25 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2ctl s VAL 23 Cb -0.15 -0.68 -0.13 0.00 0.00 0.00 0.00 36.38 35.42 2ctl s VAL 23 CO 0.15 0.06 0.23 0.47 0.00 0.00 0.00 175.10 176.01 2ctl n ASP 24 N 5.12 -1.66 0.00 3.32 8.00 -1.26 -4.39 116.55 125.67 2ctl n ASP 24 Ca -0.12 0.76 0.06 0.00 0.71 0.00 0.00 54.79 56.20 2ctl n ASP 24 Cb 0.51 -0.72 0.36 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.93 0.49 0.09 -0.24 -0.04 -1.26 -2.87 135.00 132.10 2ctl n PRO 25 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2ctl n PRO 25 Cb 0.26 -1.39 -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 0.48 0.00 0.54 2.10 -1.90 -3.30 116.57 114.49 2ctl h LYS 26 Ca 0.00 -0.72 0.00 0.00 -2.00 0.00 0.00 60.65 57.93 2ctl h LYS 26 Cb 0.00 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2ctl h LYS 26 CO 0.00 1.33 -0.45 1.88 -2.00 0.00 0.00 179.45 180.21 2ctl h TYR 27 N 0.00 0.00 -0.34 0.07 0.05 -1.86 -3.37 116.97 111.52 2ctl h TYR 27 Ca -0.18 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2ctl h TYR 27 Cb 1.84 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.50 2ctl h TYR 27 CO 0.15 0.00 -0.55 0.45 -1.05 0.00 0.00 178.16 177.16 2ctl h HIS 28 N 0.00 -1.67 0.00 4.88 3.86 -1.63 0.43 115.15 121.02 2ctl h HIS 28 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2ctl h HIS 28 Cb 0.88 0.77 0.00 0.00 1.06 0.00 0.00 27.41 30.13 2ctl h HIS 28 CO 0.00 -0.50 0.00 -0.35 0.86 0.00 0.00 177.93 177.94 2ctl n PRO 29 N -5.34 0.19 0.00 2.45 -0.04 -1.26 -2.17 135.00 128.83 2ctl n PRO 29 Ca -0.04 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2ctl n PRO 29 Cb 0.35 -1.50 -0.11 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 -1.30 0.64 0.06 0.54 4.76 0.12 -4.34 118.16 118.63 2ctl n LYS 30 Ca 0.07 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.31 2ctl n LYS 30 Cb 0.12 -1.66 -0.15 0.00 -1.84 0.00 0.00 35.03 31.50 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 0.87 -0.92 -0.18 2.04 -0.14 -3.36 117.51 115.82 2ctl h ILE 31 Ca -0.16 -2.49 0.26 0.00 1.00 0.00 0.00 64.86 63.47 2ctl h ILE 31 Cb 1.44 2.70 -0.16 0.00 -0.74 0.00 0.00 36.82 40.06 2ctl h ILE 31 CO 0.02 0.86 0.19 0.40 0.00 0.00 0.00 178.15 179.62 2ctl h ILE 32 N 0.10 0.19 0.00 -0.67 2.04 -1.69 -3.36 117.51 114.12 2ctl h ILE 32 Ca -0.36 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2ctl h ILE 32 Cb 2.08 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2ctl h ILE 32 CO 0.16 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.94 2ctl n GLY 33 N -1.41 3.39 0.34 5.37 0.00 -1.26 -1.86 105.19 109.77 2ctl n GLY 33 Ca 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.17 0.00 1.61 1.12 -1.89 -2.79 114.38 112.27 2ctl h ARG 34 Ca 0.00 0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.58 2ctl h ARG 34 Cb 0.00 0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 29.94 2ctl h ARG 34 CO 0.00 -0.11 -2.07 1.17 -3.11 0.00 0.00 179.97 175.85 2ctl n LYS 35 N -5.43 0.66 0.00 0.20 3.00 -1.26 -4.99 118.16 110.34 2ctl n LYS 35 Ca 0.04 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2ctl n LYS 35 Cb 0.35 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.76 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 1.62 0.88 0.09 3.14 0.00 -1.05 -4.97 105.19 104.91 2ctl n GLY 36 Ca -0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl n ALA 37 N -0.64 2.12 -0.13 4.61 0.00 -1.26 -3.22 120.51 121.99 2ctl n ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ctl n ALA 37 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2ctl n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ctl n VAL 38 N -2.11 0.00 -0.20 0.00 0.31 -1.26 -2.71 118.33 112.35 2ctl n VAL 38 Ca 0.05 0.78 0.26 0.00 -0.01 0.00 0.00 64.34 65.42 2ctl n VAL 38 Cb 0.36 -1.70 0.67 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.58 -0.29 2.52 6.09 -1.51 0.32 117.51 125.22 2ctl h ILE 39 Ca 0.00 -0.04 -0.07 0.00 -1.37 0.00 0.00 64.86 63.39 2ctl h ILE 39 Cb 0.00 0.46 -0.02 0.00 0.47 0.00 0.00 36.82 37.73 2ctl h ILE 39 CO 0.00 0.02 -0.10 0.74 -3.07 0.00 0.00 178.15 175.74 2ctl h THR 40 N 0.11 1.22 0.57 2.19 2.02 -1.64 -2.66 112.91 114.72 2ctl h THR 40 Ca 0.45 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2ctl h THR 40 Cb 1.58 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2ctl h THR 40 CO -0.06 0.31 -0.27 -0.61 0.37 0.00 0.00 175.52 175.26 2ctl h GLN 41 N 0.46 -0.73 -0.36 6.66 5.75 -0.14 -2.46 115.11 124.29 2ctl h GLN 41 Ca 0.09 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 2ctl h GLN 41 Cb 0.45 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 2ctl h GLN 41 CO 0.02 -0.46 -0.03 0.82 -2.65 0.00 0.00 178.83 176.54 2ctl h ILE 42 N -0.84 0.71 -0.33 2.39 2.04 -1.50 0.17 117.51 120.15 2ctl h ILE 42 Ca -0.08 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2ctl h ILE 42 Cb 0.61 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 2ctl h ILE 42 CO 0.13 0.01 -0.35 0.03 0.00 0.00 0.00 178.15 177.97 2ctl h ARG 43 N 0.07 -0.29 -0.58 2.37 3.08 -1.41 0.29 114.38 117.90 2ctl h ARG 43 Ca 0.17 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 2ctl h ARG 43 Cb 0.25 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2ctl h ARG 43 CO -0.31 -0.20 0.10 -0.07 -1.07 0.00 0.00 179.97 178.42 2ctl h LEU 44 N -0.31 0.89 -0.52 3.04 3.38 -0.99 0.61 115.31 121.41 2ctl h LEU 44 Ca 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2ctl h LEU 44 Cb 0.55 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2ctl h LEU 44 CO -0.50 0.89 0.22 -0.08 0.09 0.00 0.00 178.44 179.06 2ctl h GLU 45 N 0.88 0.41 -0.59 1.13 4.57 0.80 -1.77 114.58 120.01 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 0.39 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2ctl h GLU 45 CO 0.01 0.27 0.00 0.72 -1.18 0.00 0.00 179.01 178.83 2ctl n HIS 46 N -4.96 1.23 -4.26 0.92 8.25 -0.05 -4.96 115.22 111.40 2ctl n HIS 46 Ca 0.05 -0.60 -0.31 0.00 -0.26 0.00 0.00 57.72 56.60 2ctl n HIS 46 Cb 0.18 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.02 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 0.97 0.55 -4.45 0.41 9.92 0.18 -4.79 116.55 119.34 2ctl n ASP 47 Ca 0.23 -1.24 -0.29 0.00 -0.53 0.00 0.00 54.79 52.96 2ctl n ASP 47 Cb 0.79 -1.80 -0.08 0.00 -0.64 0.00 0.00 41.12 39.39 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 -4.29 0.92 -0.19 2.53 -7.23 0.62 -4.86 120.40 107.90 2ctl s VAL 48 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2ctl s VAL 48 Cb -0.01 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2ctl s VAL 48 CO 0.98 0.00 -0.18 0.21 -0.31 0.00 0.00 175.10 175.81 2ctl s ASN 49 N -3.74 3.36 -0.10 4.85 3.84 -0.65 -4.57 114.94 117.94 2ctl s ASN 49 Ca 0.15 -0.79 0.02 0.00 0.21 0.00 0.00 52.86 52.46 2ctl s ASN 49 Cb 0.02 -1.47 -0.01 0.00 -0.55 0.00 0.00 41.25 39.24 2ctl s ASN 49 CO 0.09 -0.04 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.56 2ctl s ILE 50 N 1.27 2.79 0.00 -5.21 1.01 -1.26 -0.38 121.20 119.42 2ctl s ILE 50 Ca 0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2ctl s ILE 50 Cb -0.14 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 2ctl s ILE 50 CO -0.11 0.55 -0.00 -1.58 0.00 0.00 0.00 174.94 173.80 2ctl s GLN 51 N 0.03 0.06 0.03 2.79 0.74 0.70 -5.01 119.66 119.00 2ctl s GLN 51 Ca -0.06 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.25 2ctl s GLN 51 Cb -0.15 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 2ctl s GLN 51 CO 0.05 -0.01 0.09 -0.06 -0.55 0.00 0.00 175.29 174.80 2ctl s PHE 52 N -0.29 3.26 0.75 1.67 0.40 -1.26 -1.44 117.98 121.07 2ctl s PHE 52 Ca -0.03 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 2ctl s PHE 52 Cb -0.02 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.86 2ctl s PHE 52 CO -0.00 0.54 1.10 -1.25 0.70 0.00 0.00 175.22 176.30 2ctl s PRO 53 N -2.02 2.36 -0.11 0.24 0.04 -1.26 -4.97 135.00 129.28 2ctl s PRO 53 Ca 0.26 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 2ctl s PRO 53 Cb -0.12 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2ctl s PRO 53 CO 0.18 -1.57 -0.06 0.34 0.04 0.00 0.00 177.00 175.93 2ctl s ASP 54 N -3.21 4.63 0.47 6.66 2.15 -1.26 -4.95 116.67 121.15 2ctl s ASP 54 Ca 0.62 -0.10 0.25 0.00 0.43 0.00 0.00 52.55 53.75 2ctl s ASP 54 Cb -0.18 -1.48 1.13 0.00 -0.30 0.00 0.00 42.92 42.09 2ctl s ASP 54 CO 0.53 0.26 1.93 0.07 -0.17 0.00 0.00 175.17 177.78 2ctl h LYS 55 N 6.03 0.00 -0.49 4.34 5.09 -1.96 -2.92 116.57 126.66 2ctl h LYS 55 Ca -0.38 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.29 2ctl h LYS 55 Cb 1.19 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.50 2ctl h LYS 55 CO 0.57 0.20 0.05 0.22 -2.09 0.00 0.00 179.45 178.40 2ctl h ASP 56 N 0.00 0.80 0.80 7.07 1.82 -1.99 -3.24 116.42 121.68 2ctl h ASP 56 Ca -0.00 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.33 2ctl h ASP 56 Cb 0.58 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 2ctl h ASP 56 CO 0.03 0.87 -0.49 -0.78 -1.61 0.00 0.00 179.24 177.26 2ctl h ASP 57 N 0.69 -1.25 0.00 2.28 3.58 -1.90 -3.47 116.42 116.35 2ctl h ASP 57 Ca 0.14 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2ctl h ASP 57 Cb 0.43 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2ctl h ASP 57 CO 0.01 -0.76 0.00 0.61 -2.88 0.00 0.00 179.24 176.23 2ctl n GLY 58 N -1.63 2.15 0.46 -0.78 0.00 -1.22 -4.63 105.19 99.53 2ctl n GLY 58 Ca -0.15 -0.27 0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 4.28 0.13 -4.86 1.61 4.13 -1.26 -4.25 115.26 115.04 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 -0.54 -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 -4.90 3.93 0.16 3.52 -0.21 -1.26 -5.04 119.66 115.86 2ctl s GLN 60 Ca -0.06 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.56 2ctl s GLN 60 Cb 0.26 -2.49 -0.08 0.00 1.00 0.00 0.00 33.01 31.70 2ctl s GLN 60 CO 0.72 0.19 1.32 -1.25 -2.12 0.00 0.00 175.29 174.15 2ctl s PRO 61 N -3.00 4.37 0.16 2.91 0.04 -1.26 -4.91 135.00 133.31 2ctl s PRO 61 Ca 0.52 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.82 2ctl s PRO 61 Cb -0.10 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2ctl s PRO 61 CO 0.19 -0.31 0.95 1.04 0.04 0.00 0.00 177.00 178.91 2ctl n GLN 62 N 3.16 0.61 0.00 4.56 1.13 -1.26 -3.87 117.38 121.72 2ctl n GLN 62 Ca 0.08 0.07 0.12 0.00 -1.94 0.00 0.00 57.00 55.34 2ctl n GLN 62 Cb 0.43 -1.78 0.23 0.00 0.11 0.00 0.00 30.24 29.23 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 -2.62 1.31 -4.66 1.08 5.75 -1.26 -4.03 116.55 112.12 2ctl n ASP 63 Ca -0.01 -1.05 -0.35 0.00 -0.01 0.00 0.00 54.79 53.37 2ctl n ASP 63 Cb 0.56 0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 40.85 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 -2.55 4.05 -0.24 0.11 -1.52 -1.25 -0.31 119.66 117.96 2ctl s GLN 64 Ca 0.21 -0.30 -0.10 0.00 -1.95 0.00 0.00 55.36 53.22 2ctl s GLN 64 Cb 0.19 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 29.58 2ctl s GLN 64 CO 0.56 0.22 0.14 0.42 -0.25 0.00 0.00 175.29 176.38 2ctl s ILE 65 N 0.57 5.20 -0.10 1.08 1.01 -0.25 -4.23 121.20 124.48 2ctl s ILE 65 Ca 0.06 0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 2ctl s ILE 65 Cb -0.12 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2ctl s ILE 65 CO 0.01 0.35 0.78 0.42 0.00 0.00 0.00 174.94 176.49 2ctl s THR 66 N 1.09 4.96 -0.03 2.92 -4.23 -0.52 -1.85 115.64 117.99 2ctl s THR 66 Ca 0.07 1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 62.14 2ctl s THR 66 Cb -0.14 -4.10 0.03 0.00 1.34 0.00 0.00 72.50 69.63 2ctl s THR 66 CO 0.05 0.15 0.04 -0.63 -0.54 0.00 0.00 174.62 173.68 2ctl s ILE 67 N 1.40 -0.05 0.21 2.99 1.01 -0.84 -0.22 121.20 125.70 2ctl s ILE 67 Ca 0.39 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.42 2ctl s ILE 67 Cb -0.18 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2ctl s ILE 67 CO 0.17 0.14 0.03 -0.89 0.00 0.00 0.00 174.94 174.39 2ctl s THR 68 N 1.60 3.81 -3.32 2.92 2.01 0.49 -0.78 115.64 122.36 2ctl s THR 68 Ca -0.02 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.46 2ctl s THR 68 Cb -0.13 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2ctl s THR 68 CO -0.03 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 2ctl n GLY 69 N -0.46 0.97 3.69 4.40 0.00 -1.15 -1.63 105.19 111.00 2ctl n GLY 69 Ca -0.09 -2.08 -0.52 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.27 2.19 -0.28 1.61 4.01 -1.26 -4.16 117.16 118.00 2ctl n TYR 70 Ca 0.00 0.24 0.26 0.00 -0.16 0.00 0.00 57.90 58.24 2ctl n TYR 70 Cb 0.00 -2.57 0.46 0.00 -0.31 0.00 0.00 39.34 36.92 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2ctl n GLU 71 N 5.85 -0.04 0.10 -0.72 2.13 -1.26 -0.03 120.64 126.68 2ctl n GLU 71 Ca 0.24 0.96 -0.05 0.00 0.66 0.00 0.00 57.16 58.97 2ctl n GLU 71 Cb 0.22 -1.80 -0.02 0.00 0.27 0.00 0.00 31.44 30.11 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 -0.32 -0.78 5.31 6.56 -1.96 -3.24 116.57 122.14 2ctl h LYS 72 Ca 0.63 0.02 0.17 0.00 -1.06 0.00 0.00 60.65 60.41 2ctl h LYS 72 Cb 1.83 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 33.42 2ctl h LYS 72 CO -0.46 -0.21 -0.08 -0.91 -2.06 0.00 0.00 179.45 175.72 2ctl h ASN 73 N -0.87 -0.53 -0.27 0.86 4.21 -0.79 -1.88 115.58 116.31 2ctl h ASN 73 Ca -0.03 0.22 0.03 0.00 1.21 0.00 0.00 56.30 57.72 2ctl h ASN 73 Cb 0.25 0.42 -0.05 0.00 -1.12 0.00 0.00 38.32 37.82 2ctl h ASN 73 CO 0.06 -0.23 -0.31 0.71 -1.29 0.00 0.00 177.43 176.37 2ctl h THR 74 N 0.05 0.00 -0.94 2.81 1.35 -0.99 -1.69 112.91 113.50 2ctl h THR 74 Ca 0.41 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.39 2ctl h THR 74 Cb 0.69 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.96 2ctl h THR 74 CO -0.74 0.00 -0.44 -0.33 -0.25 0.00 0.00 175.52 173.76 2ctl h GLU 75 N -0.19 -0.03 -1.18 4.72 5.08 -1.37 0.96 114.58 122.57 2ctl h GLU 75 Ca 0.05 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.79 2ctl h GLU 75 Cb 0.32 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.44 2ctl h GLU 75 CO -0.36 -0.02 0.74 0.00 -1.00 0.00 0.00 179.01 178.37 2ctl h ALA 76 N 1.06 2.44 0.00 3.43 0.00 -1.15 0.44 119.26 125.47 2ctl h ALA 76 Ca 0.28 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2ctl h ALA 76 Cb 0.55 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ctl h ALA 76 CO -0.93 -1.03 -0.40 0.00 0.00 0.00 0.00 179.25 176.89 2ctl h ALA 77 N 1.68 0.07 -0.07 0.00 0.00 0.11 -3.33 119.26 117.73 2ctl h ALA 77 Ca 0.76 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2ctl h ALA 77 Cb 2.15 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 2ctl h ALA 77 CO -0.46 0.25 0.29 0.07 0.00 0.00 0.00 179.25 179.40 2ctl h ARG 78 N -1.00 0.00 0.00 0.00 -0.00 0.72 0.35 114.38 114.44 2ctl h ARG 78 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.80 2ctl h ARG 78 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.82 2ctl h ARG 78 CO -0.06 0.00 -0.38 0.22 -0.00 0.00 0.00 179.97 179.75 2ctl h ASP 79 N 0.00 0.00 0.16 0.08 1.82 -0.28 -3.24 116.42 114.96 2ctl h ASP 79 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2ctl h ASP 79 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2ctl h ASP 79 CO -0.00 0.38 -0.08 0.00 -1.61 0.00 0.00 179.24 177.94 2ctl h ALA 80 N 1.62 -0.21 -1.21 -0.78 0.00 -0.44 -1.91 119.26 116.32 2ctl h ALA 80 Ca -0.00 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.06 2ctl h ALA 80 Cb 0.85 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 2ctl h ALA 80 CO 0.05 -0.33 0.76 0.82 0.00 0.00 0.00 179.25 180.55 2ctl h ILE 81 N -0.80 0.21 0.01 0.00 2.04 -1.58 0.10 117.51 117.50 2ctl h ILE 81 Ca -0.02 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2ctl h ILE 81 Cb 0.53 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ctl h ILE 81 CO 0.04 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 178.05 2ctl h LEU 82 N 0.17 0.06 -1.70 1.44 3.38 -1.61 -2.96 115.31 114.09 2ctl h LEU 82 Ca 0.77 -0.97 0.43 0.00 0.09 0.00 0.00 57.88 58.21 2ctl h LEU 82 Cb 2.24 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.88 2ctl h LEU 82 CO -0.44 1.02 0.99 -0.09 0.09 0.00 0.00 178.44 180.00 2ctl h ARG 83 N -0.89 0.07 0.00 1.13 2.43 0.02 -1.42 114.38 115.72 2ctl h ARG 83 Ca -0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ctl h ARG 83 Cb 1.05 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2ctl h ARG 83 CO 0.02 0.05 -0.06 0.82 -1.51 0.00 0.00 179.97 179.29 2ctl h ILE 84 N 0.08 0.00 -0.99 1.20 2.04 -1.45 -3.34 117.51 115.06 2ctl h ILE 84 Ca 0.77 -0.88 0.33 0.00 1.00 0.00 0.00 64.86 66.09 2ctl h ILE 84 Cb 2.72 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.71 2ctl h ILE 84 CO -0.20 0.00 0.64 0.52 0.00 0.00 0.00 178.15 179.12 2ctl n VAL 85 N -4.42 -0.16 0.00 1.67 0.31 -0.58 0.17 118.33 115.32 2ctl n VAL 85 Ca -0.01 1.22 -0.12 0.00 -0.01 0.00 0.00 64.34 65.42 2ctl n VAL 85 Cb 0.03 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 30.87 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 0.02 1.32 2.92 0.00 -1.55 -2.03 103.07 103.75 2ctl h GLY 86 Ca 0.61 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.78 2ctl h GLY 86 CO -0.29 0.02 -0.39 1.05 0.00 0.00 0.00 176.54 176.92 2ctl h GLU 87 N -0.25 0.75 -0.42 4.80 4.11 0.16 -3.16 114.58 120.57 2ctl h GLU 87 Ca 0.00 -0.39 0.02 0.00 0.07 0.00 0.00 59.36 59.07 2ctl h GLU 87 Cb 0.28 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2ctl h GLU 87 CO 0.00 1.01 0.24 -0.07 0.07 0.00 0.00 179.01 180.26 2ctl h LEU 88 N 0.61 0.37 -0.52 3.06 3.38 -1.06 -1.72 115.31 119.43 2ctl h LEU 88 Ca 0.05 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2ctl h LEU 88 Cb 0.94 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 2ctl h LEU 88 CO 0.09 0.27 -0.27 -0.33 0.09 0.00 0.00 178.44 178.29 2ctl h GLU 89 N 0.48 -0.14 -0.69 1.13 5.08 -1.33 0.27 114.58 119.39 2ctl h GLU 89 Ca 0.17 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2ctl h GLU 89 Cb 0.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ctl h GLU 89 CO -0.09 -0.09 0.23 1.96 -1.00 0.00 0.00 179.01 180.02 2ctl h GLN 90 N -0.14 1.04 -5.78 2.33 1.08 -1.55 -3.36 115.11 108.73 2ctl h GLN 90 Ca 0.23 -0.20 -0.63 0.00 -1.45 0.00 0.00 58.65 56.59 2ctl h GLN 90 Cb 0.51 -0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 27.66 2ctl h GLN 90 CO -0.60 0.88 1.40 -1.64 -0.95 0.00 0.00 178.83 177.92 2ctl s MET 91 N -5.39 3.65 -0.20 1.46 -1.94 0.08 -4.90 119.30 112.05 2ctl s MET 91 Ca -0.11 -1.41 -0.28 0.00 -1.71 0.00 0.00 55.69 52.18 2ctl s MET 91 Cb 0.16 -5.26 0.11 0.00 2.01 0.00 0.00 34.83 31.84 2ctl s MET 91 CO 0.82 -2.10 0.93 0.45 -0.01 0.00 0.00 175.02 175.12 2ctl s SER 92 N 4.51 -0.49 0.00 3.03 0.15 -1.26 -4.82 113.70 114.82 2ctl s SER 92 Ca 0.43 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2ctl s SER 92 Cb -0.01 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2ctl s SER 92 CO -0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2ctl n GLY 93 N 1.58 2.40 3.58 9.45 0.00 -1.26 -4.96 105.19 115.98 2ctl n GLY 93 Ca -0.13 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.57 3.10 -0.52 1.61 0.04 -1.26 -4.92 135.00 130.48 2ctl s PRO 94 Ca 0.00 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 2ctl s PRO 94 Cb 0.00 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 2ctl s PRO 94 CO 0.00 -2.15 2.14 0.45 0.04 0.00 0.00 177.00 177.49 2ctl s SER 95 N 6.50 4.90 0.22 6.66 0.15 -1.26 -4.94 113.70 125.93 2ctl s SER 95 Ca 0.72 0.82 0.10 0.00 0.70 0.00 0.00 55.95 58.29 2ctl s SER 95 Cb -0.17 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2ctl s SER 95 CO 0.28 -2.57 -0.19 -0.44 1.20 0.00 0.00 173.24 171.52 2ctl s SER 96 N 10.02 3.08 0.00 5.45 0.01 -1.26 -5.29 113.70 125.71 2ctl s SER 96 Ca 0.84 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2ctl s SER 96 Cb -0.16 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2ctl s SER 96 CO 0.25 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.48