#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n s SER 2 N 0.00 5.84 -0.97 1.61 0.15 -1.26 -4.92 113.70 114.16 2e5n s SER 2 Ca 0.00 1.70 -0.17 0.00 0.70 0.00 0.00 55.95 58.18 2e5n s SER 2 Cb 0.00 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 2e5n s SER 2 CO 0.00 -1.68 1.12 -0.44 1.20 0.00 0.00 173.24 173.43 2e5n s SER 3 N 6.53 6.76 0.00 5.45 0.01 -1.26 -4.65 113.70 126.54 2e5n s SER 3 Ca 0.87 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 55.74 2e5n s SER 3 Cb -0.29 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2e5n s SER 3 CO 0.34 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2e5n n GLY 4 N 4.86 0.04 0.24 3.44 0.00 -1.26 -5.00 105.19 107.51 2e5n n GLY 4 Ca 0.24 0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.62 2e5n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5n n SER 5 N 0.00 0.08 -4.72 1.61 2.88 -1.26 -4.37 113.62 107.84 2e5n n SER 5 Ca 0.00 1.23 -0.42 0.00 -1.33 0.00 0.00 58.87 58.34 2e5n n SER 5 Cb 0.00 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.94 2e5n n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e5n n SER 6 N -4.83 3.00 -3.72 -3.46 7.64 -1.26 -5.00 113.62 105.98 2e5n n SER 6 Ca 0.22 1.21 -0.10 0.00 1.01 0.00 0.00 58.87 61.22 2e5n n SER 6 Cb 0.75 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2e5n n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e5n s GLY 7 N -0.27 -0.11 0.38 0.23 0.00 -1.26 -5.08 107.32 101.20 2e5n s GLY 7 Ca 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.09 2e5n s GLY 7 CO 0.63 -0.26 0.04 -1.30 0.00 0.00 0.00 173.10 172.21 2e5n n THR 8 N -0.33 0.00 -0.05 0.90 -2.24 -1.26 -5.09 114.28 106.21 2e5n n THR 8 Ca -0.11 -1.91 -0.09 0.00 -2.27 0.00 0.00 64.05 59.68 2e5n n THR 8 Cb 0.63 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 2e5n n THR 8 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2e5n n ILE 9 N -0.90 0.52 -0.01 2.28 2.08 -1.26 -4.57 119.36 117.49 2e5n n ILE 9 Ca -0.12 -0.16 0.22 0.00 0.56 0.00 0.00 62.75 63.25 2e5n n ILE 9 Cb 0.50 -1.32 0.72 0.00 -0.75 0.00 0.00 39.64 38.80 2e5n n ILE 9 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2e5n h SER 10 N -0.21 0.00 0.52 4.38 4.64 -1.93 0.37 113.55 121.31 2e5n h SER 10 Ca -0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.98 2e5n h SER 10 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2e5n h SER 10 CO -0.10 0.00 -0.52 1.56 -0.87 0.00 0.00 176.83 176.90 2e5n h GLN 11 N 0.00 0.00 -7.11 4.77 4.20 -2.01 -3.44 115.11 111.52 2e5n h GLN 11 Ca 0.27 -0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.49 2e5n h GLN 11 Cb 1.20 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.04 2e5n h GLN 11 CO -0.00 0.52 0.41 1.03 -0.67 0.00 0.00 178.83 180.11 2e5n s ARG 12 N -3.85 3.43 0.20 1.46 1.81 0.13 -4.99 118.95 117.14 2e5n s ARG 12 Ca -0.02 1.46 -0.30 0.00 -1.72 0.00 0.00 55.73 55.15 2e5n s ARG 12 Cb 0.13 -2.03 -0.09 0.00 -0.45 0.00 0.00 34.95 32.52 2e5n s ARG 12 CO 0.75 -0.76 1.30 -1.25 -0.68 0.00 0.00 175.30 174.66 2e5n s PRO 13 N -3.45 4.39 0.10 3.54 0.04 -1.26 -4.88 135.00 133.48 2e5n s PRO 13 Ca 0.69 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.59 2e5n s PRO 13 Cb -0.20 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2e5n s PRO 13 CO 0.27 -0.24 1.15 0.98 0.04 0.00 0.00 177.00 179.21 2e5n n TYR 14 N 2.60 -0.27 0.00 0.56 9.36 -1.26 -1.66 117.16 126.49 2e5n n TYR 14 Ca 0.06 0.76 0.00 0.00 3.32 0.00 0.00 57.90 62.04 2e5n n TYR 14 Cb 0.43 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 2e5n n TYR 14 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2e5n n ARG 15 N -4.46 0.00 -0.35 2.98 0.63 -1.26 -0.04 116.66 114.16 2e5n n ARG 15 Ca 0.01 0.60 -0.02 0.00 -0.92 0.00 0.00 57.85 57.51 2e5n n ARG 15 Cb 0.16 -0.93 0.03 0.00 0.45 0.00 0.00 32.46 32.16 2e5n n ARG 15 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2e5n h ASP 16 N 0.00 -1.43 -0.97 6.15 3.58 -1.71 0.90 116.42 122.94 2e5n h ASP 16 Ca 0.00 0.30 0.18 0.00 0.42 0.00 0.00 57.03 57.92 2e5n h ASP 16 Cb 0.00 0.74 -0.09 0.00 1.72 0.00 0.00 39.33 41.70 2e5n h ASP 16 CO 0.00 -0.29 0.61 0.03 -2.88 0.00 0.00 179.24 176.71 2e5n h ARG 17 N -0.03 0.69 0.42 0.28 3.08 0.04 0.15 114.38 119.01 2e5n h ARG 17 Ca 0.31 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2e5n h ARG 17 Cb 0.58 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2e5n h ARG 17 CO -0.93 0.46 -0.20 0.28 -1.07 0.00 0.00 179.97 178.51 2e5n h VAL 18 N 0.72 0.00 -0.87 2.04 2.07 0.39 -3.02 116.25 117.57 2e5n h VAL 18 Ca 0.53 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.95 2e5n h VAL 18 Cb 0.87 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 2e5n h VAL 18 CO -0.29 0.00 0.42 0.16 0.02 0.00 0.00 177.57 177.88 2e5n h ILE 19 N -0.85 0.60 -0.10 4.57 3.07 -0.79 0.58 117.51 124.60 2e5n h ILE 19 Ca -0.06 -0.18 0.03 0.00 1.55 0.00 0.00 64.86 66.20 2e5n h ILE 19 Cb 0.43 0.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.02 2e5n h ILE 19 CO 0.09 0.09 0.14 0.45 -1.05 0.00 0.00 178.15 177.88 2e5n h HIS 20 N 0.52 0.00 0.10 0.16 3.86 -0.74 0.27 115.15 119.31 2e5n h HIS 20 Ca 0.51 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.39 2e5n h HIS 20 Cb 0.86 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 2e5n h HIS 20 CO -0.11 0.00 -1.80 -0.07 0.86 0.00 0.00 177.93 176.81 2e5n h LEU 21 N 0.00 0.32 -0.98 2.43 3.38 0.23 -3.38 115.31 117.32 2e5n h LEU 21 Ca 0.05 -0.84 -0.09 0.00 0.09 0.00 0.00 57.88 57.08 2e5n h LEU 21 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2e5n h LEU 21 CO -0.00 1.76 -0.24 -0.07 0.09 0.00 0.00 178.44 179.99 2e5n h LEU 22 N -0.20 0.46 -0.18 1.67 3.38 -0.44 -3.27 115.31 116.72 2e5n h LEU 22 Ca -0.40 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.44 2e5n h LEU 22 Cb 1.85 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 2e5n h LEU 22 CO 0.02 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 179.01 2e5n h ALA 23 N 1.34 -0.47 -0.89 1.53 0.00 -0.65 -1.45 119.26 118.67 2e5n h ALA 23 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2e5n h ALA 23 Cb 0.64 0.90 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 2e5n h ALA 23 CO 0.05 -0.59 -0.27 -0.07 0.00 0.00 0.00 179.25 178.37 2e5n h LEU 24 N -0.15 -0.98 -7.83 0.00 3.38 -1.75 -3.44 115.31 104.54 2e5n h LEU 24 Ca 0.03 0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.37 2e5n h LEU 24 Cb 0.24 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2e5n h LEU 24 CO -0.25 -0.30 0.29 -1.59 0.09 0.00 0.00 178.44 176.68 2e5n s LYS 25 N -6.18 1.59 0.17 1.13 -2.85 -0.54 -5.01 119.74 108.05 2e5n s LYS 25 Ca -0.15 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.66 2e5n s LYS 25 Cb 0.23 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.48 2e5n s LYS 25 CO 0.75 -0.73 1.34 0.00 0.10 0.00 0.00 175.35 176.81 2e5n s ALA 26 N -3.74 3.55 0.19 0.59 0.00 -1.25 -4.14 121.76 116.95 2e5n s ALA 26 Ca 0.10 1.12 0.10 0.00 0.00 0.00 0.00 51.96 53.28 2e5n s ALA 26 Cb -0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2e5n s ALA 26 CO 0.04 -0.57 -0.21 0.71 0.00 0.00 0.00 175.76 175.73 2e5n s TYR 27 N 0.42 2.11 0.03 0.00 1.51 -0.32 -4.83 117.35 116.27 2e5n s TYR 27 Ca 0.59 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 56.20 2e5n s TYR 27 Cb -0.37 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 2e5n s TYR 27 CO 0.36 0.46 0.26 0.15 -1.11 0.00 0.00 175.55 175.67 2e5n s LYS 28 N -2.82 3.54 0.16 -0.62 3.01 -1.26 -0.37 119.74 121.38 2e5n s LYS 28 Ca 0.20 -0.16 -0.14 0.00 -1.01 0.00 0.00 55.97 54.85 2e5n s LYS 28 Cb -0.07 -3.04 0.15 0.00 -1.01 0.00 0.00 37.83 33.86 2e5n s LYS 28 CO 0.09 0.62 1.13 1.17 0.51 0.00 0.00 175.35 178.88 2e5n n LYS 29 N 0.83 -0.19 -0.00 1.68 3.00 -1.26 0.62 118.16 122.84 2e5n n LYS 29 Ca -0.09 1.12 -0.13 0.00 -0.00 0.00 0.00 58.31 59.21 2e5n n LYS 29 Cb 0.52 -1.67 -0.10 0.00 0.00 0.00 0.00 35.03 33.79 2e5n n LYS 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2e5n h PRO 30 N 0.00 -0.03 0.34 1.64 0.13 -1.97 -3.17 132.00 128.93 2e5n h PRO 30 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 2e5n h PRO 30 Cb 0.42 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 2e5n h PRO 30 CO -0.72 0.44 -0.34 1.49 -0.23 0.00 0.00 178.00 178.64 2e5n h GLU 31 N -0.52 -0.65 -0.94 0.86 4.81 -1.18 -2.26 114.58 114.69 2e5n h GLU 31 Ca -0.00 0.04 0.33 0.00 -0.13 0.00 0.00 59.36 59.60 2e5n h GLU 31 Cb 0.49 0.15 -0.17 0.00 0.63 0.00 0.00 28.75 29.85 2e5n h GLU 31 CO 0.01 -0.44 0.28 -0.11 -0.73 0.00 0.00 179.01 178.02 2e5n n LEU 32 N -4.45 0.13 0.22 1.64 0.00 0.20 0.46 117.00 115.20 2e5n n LEU 32 Ca -0.08 1.57 -0.15 0.00 0.00 0.00 0.00 56.01 57.35 2e5n n LEU 32 Cb 0.31 -0.68 -0.08 0.00 0.00 0.00 0.00 43.42 42.97 2e5n n LEU 32 CO 0.18 -1.68 0.75 -0.07 0.00 0.00 0.00 177.39 176.56 2e5n h LEU 33 N 0.00 -0.43 -0.85 -1.96 3.38 -1.39 -1.87 115.31 112.19 2e5n h LEU 33 Ca 0.69 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.80 2e5n h LEU 33 Cb 1.68 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 2e5n h LEU 33 CO -0.80 -0.30 0.93 0.00 0.09 0.00 0.00 178.44 178.36 2e5n h ALA 34 N 0.14 2.26 0.05 1.53 0.00 0.49 1.97 119.26 125.70 2e5n h ALA 34 Ca -0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 2e5n h ALA 34 Cb 0.38 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2e5n h ALA 34 CO 0.08 -1.14 -1.69 0.00 0.00 0.00 0.00 179.25 176.51 2e5n h ARG 35 N 0.00 0.11 0.00 0.00 2.47 -1.21 -3.36 114.38 112.39 2e5n h ARG 35 Ca 0.19 -0.19 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2e5n h ARG 35 Cb 2.05 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 30.42 2e5n h ARG 35 CO -0.00 0.82 -0.94 -0.07 0.56 0.00 0.00 179.97 180.34 2e5n h LEU 36 N 0.03 0.00 -0.83 3.04 3.38 0.30 -3.39 115.31 117.84 2e5n h LEU 36 Ca -0.29 -0.33 0.19 0.00 0.09 0.00 0.00 57.88 57.54 2e5n h LEU 36 Cb 2.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.60 2e5n h LEU 36 CO 0.10 1.20 -0.13 0.00 0.09 0.00 0.00 178.44 179.71 2e5n n GLN 37 N -4.51 -0.07 -0.14 1.13 1.13 0.25 0.70 117.38 115.86 2e5n n GLN 37 Ca -0.22 1.27 -0.06 0.00 -1.94 0.00 0.00 57.00 56.05 2e5n n GLN 37 Cb 0.51 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 28.92 2e5n n GLN 37 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2e5n h LYS 38 N 0.00 -0.18 0.00 -1.09 2.10 -1.75 0.47 116.57 116.12 2e5n h LYS 38 Ca 0.44 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2e5n h LYS 38 Cb 0.76 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2e5n h LYS 38 CO -0.83 -0.12 -0.02 0.22 -2.00 0.00 0.00 179.45 176.71 2e5n h ASP 39 N -0.19 0.00 0.00 7.07 3.58 0.08 -3.46 116.42 123.50 2e5n h ASP 39 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2e5n h ASP 39 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2e5n h ASP 39 CO -0.57 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.42 2e5n n GLY 40 N -0.26 2.06 3.66 -0.78 0.00 0.16 -4.87 105.19 105.17 2e5n n GLY 40 Ca -0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2e5n n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5n s VAL 41 N 0.00 5.20 0.42 1.61 1.01 -1.20 -4.81 120.40 122.63 2e5n s VAL 41 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2e5n s VAL 41 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 2e5n s VAL 41 CO 0.00 0.40 1.12 0.20 0.00 0.00 0.00 175.10 176.81 2e5n s ASN 42 N 0.73 6.49 0.04 3.32 0.01 -1.26 -4.89 114.94 119.39 2e5n s ASN 42 Ca 0.07 2.20 -0.30 0.00 -0.71 0.00 0.00 52.86 54.12 2e5n s ASN 42 Cb -0.13 -2.60 -0.18 0.00 0.41 0.00 0.00 41.25 38.76 2e5n s ASN 42 CO 0.02 -0.69 1.41 -0.61 -1.51 0.00 0.00 177.10 175.72 2e5n h GLN 43 N 2.36 -0.82 -0.19 -0.60 4.15 -1.99 0.25 115.11 118.26 2e5n h GLN 43 Ca -0.49 0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.04 2e5n h GLN 43 Cb 1.23 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2e5n h GLN 43 CO 0.62 -0.51 0.45 1.57 -1.93 0.00 0.00 178.83 179.03 2e5n h LYS 44 N -1.00 0.00 0.12 1.69 2.10 -2.03 0.75 116.57 118.21 2e5n h LYS 44 Ca -0.09 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.20 2e5n h LYS 44 Cb 0.69 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 2e5n h LYS 44 CO 0.14 0.00 -1.98 -0.25 -2.00 0.00 0.00 179.45 175.36 2e5n n ASP 45 N -3.18 2.13 -0.32 7.07 9.92 -0.94 -3.78 116.55 127.45 2e5n n ASP 45 Ca 0.03 0.21 0.20 0.00 -0.53 0.00 0.00 54.79 54.70 2e5n n ASP 45 Cb 0.55 -0.87 0.38 0.00 -0.64 0.00 0.00 41.12 40.55 2e5n n ASP 45 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2e5n n LYS 46 N -3.50 -0.07 0.05 -1.24 5.02 0.82 0.11 118.16 119.35 2e5n n LYS 46 Ca -0.32 1.37 -0.21 0.00 -2.02 0.00 0.00 58.31 57.14 2e5n n LYS 46 Cb 1.04 -2.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 2e5n n LYS 46 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2e5n h ASN 47 N 0.00 0.91 -0.61 4.39 -1.24 -1.72 -3.25 115.58 114.06 2e5n h ASN 47 Ca 0.66 -0.76 0.03 0.00 0.71 0.00 0.00 56.30 56.95 2e5n h ASN 47 Cb 1.54 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 40.28 2e5n h ASN 47 CO -0.83 1.55 0.40 0.28 -1.29 0.00 0.00 177.43 177.55 2e5n h SER 48 N 0.37 0.61 -0.85 1.15 0.02 0.71 -2.96 113.55 112.59 2e5n h SER 48 Ca -0.14 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2e5n h SER 48 Cb 1.74 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 64.03 2e5n h SER 48 CO 0.21 0.42 -0.57 0.25 -1.14 0.00 0.00 176.83 176.01 2e5n h LEU 49 N 0.71 -2.05 -0.98 5.07 6.46 -0.57 0.43 115.31 124.38 2e5n h LEU 49 Ca 0.24 0.31 0.32 0.00 -0.12 0.00 0.00 57.88 58.63 2e5n h LEU 49 Cb 0.08 0.90 -0.16 0.00 -0.73 0.00 0.00 40.66 40.76 2e5n h LEU 49 CO -0.07 -0.28 0.49 1.23 -0.62 0.00 0.00 178.44 179.19 2e5n h GLY 50 N -0.10 1.96 0.71 3.75 0.00 -1.70 0.22 103.07 107.91 2e5n h GLY 50 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2e5n h GLY 50 CO -0.86 -0.53 -0.07 0.00 0.00 0.00 0.00 176.54 175.08 2e5n h ALA 51 N 1.87 0.17 -0.41 3.60 0.00 -0.34 -3.23 119.26 120.93 2e5n h ALA 51 Ca 0.72 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2e5n h ALA 51 Cb 1.67 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2e5n h ALA 51 CO -0.66 -0.02 0.20 0.82 0.00 0.00 0.00 179.25 179.59 2e5n h ILE 52 N -0.10 0.98 -1.13 0.00 2.04 0.66 -1.35 117.51 118.62 2e5n h ILE 52 Ca 0.03 -0.14 0.32 0.00 1.00 0.00 0.00 64.86 66.06 2e5n h ILE 52 Cb 0.55 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 2e5n h ILE 52 CO 0.02 0.08 0.74 -0.07 0.00 0.00 0.00 178.15 178.91 2e5n h LEU 53 N 0.42 0.34 0.00 1.44 3.38 -0.93 1.28 115.31 121.23 2e5n h LEU 53 Ca 0.17 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2e5n h LEU 53 Cb 0.08 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2e5n h LEU 53 CO -0.12 0.02 -0.73 -0.61 0.09 0.00 0.00 178.44 177.09 2e5n h GLN 54 N 0.27 0.00 0.00 1.13 4.15 -1.35 1.04 115.11 120.35 2e5n h GLN 54 Ca 0.64 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.97 2e5n h GLN 54 Cb 1.85 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.53 2e5n h GLN 54 CO -0.28 0.00 -1.05 1.96 -1.93 0.00 0.00 178.83 177.53 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 4.20 0.23 -3.39 115.11 117.84 2e5n h GLN 55 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2e5n h GLN 55 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2e5n h GLN 55 CO 0.00 0.19 -0.77 1.33 -0.67 0.00 0.00 178.83 178.91 2e5n n VAL 56 N -2.87 0.00 -4.64 -0.54 0.24 0.20 -5.05 118.33 105.67 2e5n n VAL 56 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 2e5n n VAL 56 Cb 0.70 -0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 2e5n n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e5n s ALA 57 N -1.63 3.50 -0.06 2.33 0.00 0.36 0.13 121.76 126.39 2e5n s ALA 57 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2e5n s ALA 57 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2e5n s ALA 57 CO 0.00 -0.16 -0.11 -0.80 0.00 0.00 0.00 175.76 174.68 2e5n s ASN 58 N -3.74 1.66 0.05 0.00 0.01 0.12 -3.63 114.94 109.41 2e5n s ASN 58 Ca 0.16 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2e5n s ASN 58 Cb 0.03 -0.77 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 2e5n s ASN 58 CO 0.09 0.02 1.02 -0.22 -1.51 0.00 0.00 177.10 176.50 2e5n s LEU 59 N 0.69 4.41 -0.38 0.60 0.20 -1.26 -0.53 118.68 122.41 2e5n s LEU 59 Ca -0.14 1.78 -0.07 0.00 0.69 0.00 0.00 54.13 56.39 2e5n s LEU 59 Cb -0.16 -3.58 0.07 0.00 -0.43 0.00 0.00 46.19 42.09 2e5n s LEU 59 CO 0.03 -0.24 0.17 0.21 -0.29 0.00 0.00 176.35 176.24 2e5n s ASN 60 N 0.68 5.41 0.47 3.68 3.84 -0.37 -4.96 114.94 123.70 2e5n s ASN 60 Ca 0.52 -1.43 0.27 0.00 0.21 0.00 0.00 52.86 52.43 2e5n s ASN 60 Cb -0.24 -1.90 1.32 0.00 -0.55 0.00 0.00 41.25 39.89 2e5n s ASN 60 CO 0.29 -0.44 1.81 -1.28 -2.79 0.00 0.00 177.10 174.69 2e5n h SER 61 N 8.25 0.22 -0.12 -4.21 0.87 -1.94 0.74 113.55 117.36 2e5n h SER 61 Ca -0.21 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2e5n h SER 61 Cb 1.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2e5n h SER 61 CO 0.67 0.05 -0.11 0.50 -0.53 0.00 0.00 176.83 177.41 2e5n h LYS 62 N 0.19 -0.05 -0.08 2.24 3.64 -1.95 -3.10 116.57 117.46 2e5n h LYS 62 Ca 0.55 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.89 2e5n h LYS 62 Cb 1.78 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.59 2e5n h LYS 62 CO -0.14 -0.03 -0.39 -0.25 -2.27 0.00 0.00 179.45 176.36 2e5n n ASP 63 N -3.30 1.90 -2.88 4.20 8.00 -0.95 -4.95 116.55 118.57 2e5n n ASP 63 Ca -0.00 -3.87 -0.11 0.00 0.71 0.00 0.00 54.79 51.52 2e5n n ASP 63 Cb 0.06 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e5n n LEU 64 N -1.13 -0.21 -4.79 0.64 4.77 0.25 -4.86 117.00 111.68 2e5n n LEU 64 Ca 0.22 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.85 2e5n n LEU 64 Cb 0.77 -1.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 2e5n n LEU 64 CO 0.02 0.03 -0.23 -0.94 -1.33 0.00 0.00 177.39 174.93 2e5n s SER 65 N -2.17 5.87 -0.14 -1.43 1.04 -1.14 -4.69 113.70 111.04 2e5n s SER 65 Ca 0.22 0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 2e5n s SER 65 Cb -0.13 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 2e5n s SER 65 CO 0.26 0.39 0.57 -0.31 0.98 0.00 0.00 173.24 175.13 2e5n s TYR 66 N -0.92 3.47 -0.18 5.02 2.02 0.50 -1.23 117.35 126.04 2e5n s TYR 66 Ca 0.14 0.96 -0.03 0.00 -0.37 0.00 0.00 57.07 57.77 2e5n s TYR 66 Cb -0.12 -2.68 -0.02 0.00 -0.40 0.00 0.00 41.96 38.74 2e5n s TYR 66 CO 0.03 0.03 -0.06 0.95 -1.57 0.00 0.00 175.55 174.93 2e5n s THR 67 N 1.12 3.49 0.16 -0.71 -4.23 0.31 -1.17 115.64 114.61 2e5n s THR 67 Ca 0.29 -0.48 -0.34 0.00 -1.18 0.00 0.00 61.69 59.98 2e5n s THR 67 Cb -0.16 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.00 2e5n s THR 67 CO 0.12 0.47 1.56 -0.11 -0.54 0.00 0.00 174.62 176.12 2e5n n LEU 68 N 4.06 3.03 0.00 4.79 0.00 -1.26 0.14 117.00 127.76 2e5n n LEU 68 Ca -0.18 1.09 -0.10 0.00 0.00 0.00 0.00 56.01 56.82 2e5n n LEU 68 Cb 0.52 -1.42 0.10 0.00 0.00 0.00 0.00 43.42 42.62 2e5n n LEU 68 CO 0.31 -0.33 0.11 0.29 0.00 0.00 0.00 177.39 177.77 2e5n n LYS 69 N 3.30 -1.39 -0.11 1.96 5.02 0.12 -4.83 118.16 122.23 2e5n n LYS 69 Ca 0.17 -0.48 -0.22 0.00 -2.02 0.00 0.00 58.31 55.76 2e5n n LYS 69 Cb 0.28 -0.84 -0.12 0.00 -0.02 0.00 0.00 35.03 34.33 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2e5n n ASP 70 N -2.12 1.99 -0.18 4.39 5.75 -1.26 -4.33 116.55 120.80 2e5n n ASP 70 Ca 0.05 0.09 -0.10 0.00 -0.01 0.00 0.00 54.79 54.81 2e5n n ASP 70 Cb 0.20 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 39.66 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2e5n h TYR 71 N -0.32 0.99 -0.79 2.11 -0.00 -1.94 -2.73 116.97 114.30 2e5n h TYR 71 Ca -0.57 -0.18 0.22 0.00 -0.00 0.00 0.00 58.73 58.21 2e5n h TYR 71 Cb 1.81 -0.26 -0.04 0.00 -0.00 0.00 0.00 36.73 38.24 2e5n h TYR 71 CO 0.01 0.93 0.56 0.28 -0.00 0.00 0.00 178.16 179.94 2e5n h VAL 72 N 0.77 0.63 -0.77 -0.90 2.07 -1.87 0.87 116.25 117.05 2e5n h VAL 72 Ca 0.14 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.87 2e5n h VAL 72 Cb 0.54 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2e5n h VAL 72 CO 0.03 0.01 0.61 -0.26 0.02 0.00 0.00 177.57 177.98 2e5n h PHE 73 N 0.06 0.00 0.00 1.57 0.04 -1.67 0.57 116.94 117.51 2e5n h PHE 73 Ca 0.38 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.96 2e5n h PHE 73 Cb 1.42 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.55 2e5n h PHE 73 CO -0.00 0.00 -0.89 1.57 -0.60 0.00 0.00 178.31 178.38 2e5n h LYS 74 N 0.00 0.00 0.00 1.51 2.10 -1.00 -3.19 116.57 115.99 2e5n h LYS 74 Ca 0.37 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.95 2e5n h LYS 74 Cb 1.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.90 2e5n h LYS 74 CO -0.00 0.89 -0.30 0.93 -2.00 0.00 0.00 179.45 178.97 2e5n h GLU 75 N 0.00 0.00 -6.20 0.07 5.08 0.04 -3.45 114.58 110.11 2e5n h GLU 75 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2e5n h GLU 75 Cb 1.64 0.00 0.16 0.00 0.50 0.00 0.00 28.75 31.04 2e5n h GLU 75 CO 0.12 0.30 -0.54 1.28 -1.00 0.00 0.00 179.01 179.17 2e5n n LEU 76 N -3.38 -1.58 -3.85 1.33 4.77 -0.81 -5.01 117.00 108.45 2e5n n LEU 76 Ca 0.00 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 2e5n n LEU 76 Cb 0.51 -0.80 -0.17 0.00 -2.33 0.00 0.00 43.42 40.62 2e5n n LEU 76 CO 0.35 -3.23 -0.42 -1.10 -1.33 0.00 0.00 177.39 171.66 2e5n s GLN 77 N -3.46 1.14 0.50 3.23 -1.52 -1.26 -5.00 119.66 113.28 2e5n s GLN 77 Ca 0.41 -0.11 0.25 0.00 -1.95 0.00 0.00 55.36 53.96 2e5n s GLN 77 Cb -0.07 -1.32 1.32 0.00 -0.22 0.00 0.00 33.01 32.73 2e5n s GLN 77 CO 0.42 -0.27 2.04 0.00 -0.25 0.00 0.00 175.29 177.23 2e5n h ARG 78 N 8.18 0.00 -0.83 2.91 2.47 -1.98 -1.80 114.38 123.34 2e5n h ARG 78 Ca -0.26 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.25 2e5n h ARG 78 Cb 1.13 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.33 2e5n h ARG 78 CO 0.35 0.15 0.26 -0.40 0.56 0.00 0.00 179.97 180.89 2e5n n ASP 79 N -3.75 4.25 -4.67 7.04 5.75 -1.26 -4.96 116.55 118.95 2e5n n ASP 79 Ca -0.02 -3.03 -0.42 0.00 -0.01 0.00 0.00 54.79 51.31 2e5n n ASP 79 Cb 0.26 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2e5n s TRP 80 N -2.55 1.90 -1.92 2.11 -0.11 -0.68 -4.85 118.94 112.84 2e5n s TRP 80 Ca 0.45 -0.03 0.16 0.00 1.22 0.00 0.00 56.10 57.90 2e5n s TRP 80 Cb 0.36 -4.09 0.91 0.00 -1.50 0.00 0.00 33.47 29.16 2e5n s TRP 80 CO 0.11 -4.61 1.36 -0.35 -4.62 0.00 0.00 176.95 168.84 2e5n n PRO 81 N 6.59 0.45 0.00 5.86 -0.04 -1.26 -2.30 135.00 144.29 2e5n n PRO 81 Ca 0.18 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2e5n n PRO 81 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 2e5n n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2e5n n GLY 82 N -0.02 -1.19 3.46 0.55 0.00 -1.26 -4.78 105.19 101.95 2e5n n GLY 82 Ca 0.11 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2e5n n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e5n s TYR 83 N -2.94 3.20 0.77 1.61 2.02 -0.97 -4.99 117.35 116.05 2e5n s TYR 83 Ca 0.13 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.20 2e5n s TYR 83 Cb 0.18 -2.41 0.19 0.00 -0.40 0.00 0.00 41.96 39.51 2e5n s TYR 83 CO 0.68 -0.45 0.81 0.43 -1.57 0.00 0.00 175.55 175.45 2e5n n SER 84 N 5.03 -1.01 0.18 2.29 7.64 -1.26 -4.35 113.62 122.14 2e5n n SER 84 Ca -0.13 -1.11 0.17 0.00 1.01 0.00 0.00 58.87 58.81 2e5n n SER 84 Cb 0.49 -0.69 0.65 0.00 -1.01 0.00 0.00 64.21 63.65 2e5n n SER 84 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2e5n h GLU 85 N 0.00 0.00 0.00 1.43 4.81 -2.01 -1.92 114.58 116.90 2e5n h GLU 85 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2e5n h GLU 85 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2e5n h GLU 85 CO 0.19 0.00 -0.66 -0.89 -0.73 0.00 0.00 179.01 176.92 2e5n n ILE 86 N -3.19 1.17 -0.32 2.32 -0.00 -1.26 -4.29 119.36 113.79 2e5n n ILE 86 Ca 0.05 0.24 -0.01 0.00 -0.00 0.00 0.00 62.75 63.02 2e5n n ILE 86 Cb 0.67 -2.19 0.04 0.00 -0.00 0.00 0.00 39.64 38.16 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2e5n n ASP 87 N -4.08 -0.54 -0.19 4.38 8.00 -1.04 0.34 116.55 123.42 2e5n n ASP 87 Ca -0.09 1.45 -0.06 0.00 0.71 0.00 0.00 54.79 56.80 2e5n n ASP 87 Cb 0.35 -0.34 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2e5n h ARG 88 N 0.00 -0.18 0.00 -1.24 3.08 -1.55 0.76 114.38 115.25 2e5n h ARG 88 Ca 0.29 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 2e5n h ARG 88 Cb 0.50 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2e5n h ARG 88 CO -0.83 -0.12 -0.08 0.07 -1.07 0.00 0.00 179.97 177.95 2e5n h ARG 89 N -0.18 0.00 0.00 0.04 0.11 -0.30 -1.77 114.38 112.27 2e5n h ARG 89 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2e5n h ARG 89 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.66 0.08 -0.36 0.77 0.10 0.00 0.00 179.97 179.90 2e5n h SER 90 N 0.00 0.00 0.09 0.08 0.02 0.35 -3.34 113.55 110.74 2e5n h SER 90 Ca -0.00 -0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.54 2e5n h SER 90 Cb 0.51 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2e5n h SER 90 CO 0.01 0.02 -2.02 -0.11 -1.14 0.00 0.00 176.83 173.59 2e5n n LEU 91 N -2.59 2.61 0.28 5.07 0.00 0.21 -4.04 117.00 118.54 2e5n n LEU 91 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 56.01 56.31 2e5n n LEU 91 Cb 0.49 -1.07 0.51 0.00 0.00 0.00 0.00 43.42 43.35 2e5n n LEU 91 CO 0.35 0.81 0.99 1.05 0.00 0.00 0.00 177.39 180.60 2e5n h GLU 92 N -0.06 0.00 0.00 1.96 4.11 -1.47 -2.38 114.58 116.75 2e5n h GLU 92 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2e5n h GLU 92 CO 0.02 0.00 -0.00 1.03 0.07 0.00 0.00 179.01 180.13 2e5n h SER 93 N 0.00 -0.00 -0.70 3.06 0.87 -1.72 -3.18 113.55 111.88 2e5n h SER 93 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2e5n h SER 93 Cb 0.93 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.80 2e5n h SER 93 CO 0.00 0.01 -0.42 0.52 -0.53 0.00 0.00 176.83 176.41 2e5n n VAL 94 N -2.06 -0.48 -0.33 2.23 0.31 -0.91 0.16 118.33 117.26 2e5n n VAL 94 Ca -0.00 1.84 0.18 0.00 -0.01 0.00 0.00 64.34 66.35 2e5n n VAL 94 Cb 0.00 -2.29 0.38 0.00 -0.91 0.00 0.00 33.84 31.02 2e5n n VAL 94 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2e5n h LEU 95 N 0.00 0.48 -1.12 7.52 3.38 -1.71 0.77 115.31 124.63 2e5n h LEU 95 Ca 0.11 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 2e5n h LEU 95 Cb 0.29 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2e5n h LEU 95 CO -0.66 -0.01 -0.27 -1.28 0.09 0.00 0.00 178.44 176.31 2e5n h SER 96 N 0.43 0.29 1.77 -0.43 0.87 0.16 0.91 113.55 117.55 2e5n h SER 96 Ca 0.64 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2e5n h SER 96 Cb 1.29 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2e5n h SER 96 CO -0.54 0.56 -0.23 0.03 -0.53 0.00 0.00 176.83 176.12 2e5n h ARG 97 N 0.26 0.00 0.00 2.24 3.08 0.21 -3.40 114.38 116.77 2e5n h ARG 97 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2e5n h ARG 97 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2e5n h ARG 97 CO 0.04 0.04 -0.42 1.63 -1.07 0.00 0.00 179.97 180.20 2e5n n LYS 98 N -3.03 0.23 -1.61 0.04 4.76 0.90 -4.84 118.16 114.61 2e5n n LYS 98 Ca 0.03 0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 2e5n n LYS 98 Cb 0.55 -0.92 -0.04 0.00 -1.84 0.00 0.00 35.03 32.78 2e5n n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2e5n s LEU 99 N -6.24 3.20 0.00 -0.35 1.43 0.31 -5.07 118.68 111.95 2e5n s LEU 99 Ca -0.12 0.60 0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2e5n s LEU 99 Cb 0.02 -2.52 0.63 0.00 0.03 0.00 0.00 46.19 44.35 2e5n s LEU 99 CO 0.18 -3.21 1.07 -3.20 0.23 0.00 0.00 176.35 171.43