#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n n SER 2 N 0.00 7.45 -4.56 1.61 2.88 -1.26 -4.95 113.62 114.79 2e5n n SER 2 Ca 0.00 -3.52 -0.27 0.00 -1.33 0.00 0.00 58.87 53.75 2e5n n SER 2 Cb 0.00 -1.20 -0.10 0.00 -0.75 0.00 0.00 64.21 62.15 2e5n n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e5n s SER 3 N -0.63 3.44 0.00 -3.46 1.04 -1.26 -5.10 113.70 107.73 2e5n s SER 3 Ca 0.48 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2e5n s SER 3 Cb 0.27 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2e5n s SER 3 CO -0.20 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2e5n n GLY 4 N -0.94 -1.94 2.90 7.32 0.00 -1.26 -4.95 105.19 106.32 2e5n n GLY 4 Ca -0.07 0.98 -0.18 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.00 -4.56 1.61 2.88 -1.26 -4.84 113.62 103.45 2e5n n SER 5 Ca 0.00 -0.10 -0.37 0.00 -1.33 0.00 0.00 58.87 57.07 2e5n n SER 5 Cb 0.00 -3.34 -0.04 0.00 -0.75 0.00 0.00 64.21 60.08 2e5n n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e5n s SER 6 N -2.40 5.89 0.48 -3.46 0.15 -1.26 -4.96 113.70 108.14 2e5n s SER 6 Ca 0.20 -0.75 0.04 0.00 0.70 0.00 0.00 55.95 56.15 2e5n s SER 6 Cb -0.11 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2e5n s SER 6 CO 0.25 -2.03 0.13 -0.83 1.20 0.00 0.00 173.24 171.96 2e5n s GLY 7 N 5.97 2.64 0.07 9.45 0.00 -1.26 -5.16 107.32 119.03 2e5n s GLY 7 Ca 0.53 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.98 2e5n s GLY 7 CO 0.03 -2.06 -0.06 -0.51 0.00 0.00 0.00 173.10 170.50 2e5n s THR 8 N -2.76 0.52 0.20 0.90 -4.23 -1.26 -4.72 115.64 104.29 2e5n s THR 8 Ca 0.25 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 2e5n s THR 8 Cb 0.03 -1.37 0.15 0.00 1.34 0.00 0.00 72.50 72.64 2e5n s THR 8 CO 0.14 -0.79 1.69 0.40 -0.54 0.00 0.00 174.62 175.52 2e5n h ILE 9 N 3.38 0.62 -1.24 2.99 5.03 -1.92 0.78 117.51 127.15 2e5n h ILE 9 Ca -0.35 -0.06 0.36 0.00 -0.12 0.00 0.00 64.86 64.69 2e5n h ILE 9 Cb 1.17 0.43 -0.08 0.00 -3.03 0.00 0.00 36.82 35.31 2e5n h ILE 9 CO 0.59 0.03 0.85 -1.28 -0.68 0.00 0.00 178.15 177.67 2e5n h SER 10 N 0.17 0.17 1.26 1.72 0.87 -1.96 1.35 113.55 117.13 2e5n h SER 10 Ca 0.28 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 2e5n h SER 10 Cb 0.42 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2e5n h SER 10 CO -0.42 -0.00 -0.76 1.56 -0.53 0.00 0.00 176.83 176.68 2e5n h GLN 11 N 0.13 0.00 -7.06 2.24 1.08 -1.28 -3.46 115.11 106.75 2e5n h GLN 11 Ca 0.65 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 57.40 2e5n h GLN 11 Cb 2.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.65 2e5n h GLN 11 CO -0.16 0.17 0.35 1.03 -0.95 0.00 0.00 178.83 179.27 2e5n s ARG 12 N -3.14 4.13 0.28 1.46 1.81 0.46 -5.01 118.95 118.93 2e5n s ARG 12 Ca 0.02 1.17 -0.29 0.00 -1.72 0.00 0.00 55.73 54.91 2e5n s ARG 12 Cb 0.08 -2.16 -0.10 0.00 -0.45 0.00 0.00 34.95 32.32 2e5n s ARG 12 CO 0.76 -0.13 1.25 -1.25 -0.68 0.00 0.00 175.30 175.25 2e5n s PRO 13 N -3.20 4.45 0.08 3.54 0.04 -1.26 -4.86 135.00 133.78 2e5n s PRO 13 Ca 0.63 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.57 2e5n s PRO 13 Cb -0.11 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2e5n s PRO 13 CO 0.15 -0.09 1.00 0.98 0.04 0.00 0.00 177.00 179.07 2e5n n TYR 14 N 1.42 -0.22 -0.21 0.56 9.36 -1.26 -0.57 117.16 126.25 2e5n n TYR 14 Ca 0.01 0.62 -0.05 0.00 3.32 0.00 0.00 57.90 61.80 2e5n n TYR 14 Cb 0.43 -0.50 -0.05 0.00 -0.63 0.00 0.00 39.34 38.59 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 -4.22 -0.22 -0.21 2.98 0.63 -1.26 0.77 116.66 115.14 2e5n n ARG 15 Ca 0.01 0.92 -0.03 0.00 -0.92 0.00 0.00 57.85 57.83 2e5n n ARG 15 Cb 0.13 -1.36 0.03 0.00 0.45 0.00 0.00 32.46 31.71 2e5n n ARG 15 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2e5n h ASP 16 N 0.00 -0.98 -0.02 6.15 3.32 -1.21 0.72 116.42 124.41 2e5n h ASP 16 Ca 0.08 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2e5n h ASP 16 Cb 0.20 0.52 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2e5n h ASP 16 CO -0.46 -0.28 0.01 0.03 -1.72 0.00 0.00 179.24 176.82 2e5n h ARG 17 N -0.11 0.00 0.12 3.56 3.08 0.65 0.31 114.38 121.98 2e5n h ARG 17 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2e5n h ARG 17 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2e5n h ARG 17 CO -0.69 0.00 -0.06 0.28 -1.07 0.00 0.00 179.97 178.44 2e5n h VAL 18 N 0.00 0.76 -0.60 2.04 2.07 0.33 -3.16 116.25 117.69 2e5n h VAL 18 Ca 0.01 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 2e5n h VAL 18 Cb 0.03 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2e5n h VAL 18 CO -0.00 0.22 0.22 0.16 0.02 0.00 0.00 177.57 178.20 2e5n h ILE 19 N -0.94 1.23 -0.52 4.57 3.07 -0.36 -1.81 117.51 122.74 2e5n h ILE 19 Ca -0.02 -0.74 0.15 0.00 1.55 0.00 0.00 64.86 65.80 2e5n h ILE 19 Cb 0.49 0.60 -0.02 0.00 -0.27 0.00 0.00 36.82 37.62 2e5n h ILE 19 CO 0.03 0.29 0.40 0.45 -1.05 0.00 0.00 178.15 178.26 2e5n h HIS 20 N 0.83 0.00 0.04 0.16 3.86 -0.52 0.43 115.15 119.95 2e5n h HIS 20 Ca 0.20 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 2e5n h HIS 20 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2e5n h HIS 20 CO 0.01 0.00 -0.63 -0.07 0.86 0.00 0.00 177.93 178.10 2e5n h LEU 21 N 0.00 0.12 -1.78 2.43 3.38 -1.37 -3.34 115.31 114.74 2e5n h LEU 21 Ca 0.25 -0.85 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 2e5n h LEU 21 Cb 1.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2e5n h LEU 21 CO -0.00 1.27 -0.16 -0.07 0.09 0.00 0.00 178.44 179.57 2e5n h LEU 22 N -0.82 0.00 0.03 1.67 3.38 -0.61 -3.21 115.31 115.76 2e5n h LEU 22 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2e5n h LEU 22 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2e5n h LEU 22 CO -0.03 0.16 -0.17 0.00 0.09 0.00 0.00 178.44 178.49 2e5n h ALA 23 N 1.84 -0.69 -0.94 1.53 0.00 -0.28 -2.51 119.26 118.22 2e5n h ALA 23 Ca -0.00 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.05 2e5n h ALA 23 Cb 0.33 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 2e5n h ALA 23 CO 0.02 -0.73 -0.26 -0.07 0.00 0.00 0.00 179.25 178.20 2e5n h LEU 24 N -0.24 -0.98 -7.97 0.00 3.38 -1.71 -3.44 115.31 104.35 2e5n h LEU 24 Ca -0.00 0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.31 2e5n h LEU 24 Cb 0.24 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2e5n h LEU 24 CO -0.10 -0.31 0.28 -1.59 0.09 0.00 0.00 178.44 176.81 2e5n s LYS 25 N -6.20 1.84 0.20 1.13 -2.85 -0.95 -5.03 119.74 107.89 2e5n s LYS 25 Ca -0.15 -1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 53.44 2e5n s LYS 25 Cb 0.25 0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 36.52 2e5n s LYS 25 CO 0.76 -0.85 1.29 0.00 0.10 0.00 0.00 175.35 176.65 2e5n s ALA 26 N -3.35 3.51 0.15 0.59 0.00 -1.25 -4.15 121.76 117.25 2e5n s ALA 26 Ca 0.13 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.25 2e5n s ALA 26 Cb -0.05 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2e5n s ALA 26 CO 0.08 -0.51 -0.18 0.71 0.00 0.00 0.00 175.76 175.86 2e5n s TYR 27 N 0.02 1.77 0.11 0.00 1.51 -0.63 -4.87 117.35 115.26 2e5n s TYR 27 Ca 0.56 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 56.10 2e5n s TYR 27 Cb -0.36 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 2e5n s TYR 27 CO 0.39 0.29 0.33 0.15 -1.11 0.00 0.00 175.55 175.60 2e5n s LYS 28 N -2.63 3.59 0.18 -0.62 3.01 -1.26 0.21 119.74 122.22 2e5n s LYS 28 Ca 0.13 -0.13 -0.15 0.00 -1.01 0.00 0.00 55.97 54.82 2e5n s LYS 28 Cb -0.06 -2.92 0.18 0.00 -1.01 0.00 0.00 37.83 34.01 2e5n s LYS 28 CO 0.06 0.52 1.24 1.17 0.51 0.00 0.00 175.35 178.85 2e5n n LYS 29 N 0.31 -0.20 0.00 1.68 3.00 -1.26 0.67 118.16 122.37 2e5n n LYS 29 Ca -0.04 1.23 -0.13 0.00 -0.00 0.00 0.00 58.31 59.36 2e5n n LYS 29 Cb 0.52 -1.82 -0.10 0.00 0.00 0.00 0.00 35.03 33.63 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 -0.04 0.34 1.64 0.13 -1.96 -3.20 132.00 128.91 2e5n h PRO 30 Ca 0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.39 2e5n h PRO 30 Cb 0.47 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2e5n h PRO 30 CO -0.79 0.44 -0.32 1.49 -0.23 0.00 0.00 178.00 178.59 2e5n h GLU 31 N -0.53 -0.63 -0.85 0.86 4.81 -1.33 -2.38 114.58 114.53 2e5n h GLU 31 Ca -0.00 0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.55 2e5n h GLU 31 Cb 0.49 0.14 -0.16 0.00 0.63 0.00 0.00 28.75 29.86 2e5n h GLU 31 CO 0.01 -0.42 0.20 -0.11 -0.73 0.00 0.00 179.01 177.95 2e5n n LEU 32 N -4.33 0.06 0.43 1.64 0.00 0.21 0.24 117.00 115.26 2e5n n LEU 32 Ca -0.08 1.42 -0.19 0.00 0.00 0.00 0.00 56.01 57.16 2e5n n LEU 32 Cb 0.30 -0.59 -0.09 0.00 0.00 0.00 0.00 43.42 43.03 2e5n n LEU 32 CO 0.17 -1.50 0.61 -0.07 0.00 0.00 0.00 177.39 176.59 2e5n h LEU 33 N 0.00 -0.93 -1.01 -1.96 3.38 -1.43 -2.57 115.31 110.78 2e5n h LEU 33 Ca 0.60 0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.95 2e5n h LEU 33 Cb 1.40 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 2e5n h LEU 33 CO -0.74 -0.66 0.65 0.00 0.09 0.00 0.00 178.44 177.78 2e5n n ALA 34 N -2.57 1.00 -0.04 1.53 0.00 0.14 0.23 120.51 120.80 2e5n n ALA 34 Ca -0.15 0.61 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 2e5n n ALA 34 Cb 0.44 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 2e5n n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5n h ARG 35 N 0.00 0.21 0.09 0.00 2.47 -1.36 -3.15 114.38 112.64 2e5n h ARG 35 Ca 0.63 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 59.21 2e5n h ARG 35 Cb 2.06 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.40 2e5n h ARG 35 CO -0.32 0.73 -0.05 -0.07 0.56 0.00 0.00 179.97 180.83 2e5n h LEU 36 N -0.27 -0.11 -1.46 3.04 3.38 0.31 -3.22 115.31 116.98 2e5n h LEU 36 Ca 0.00 -0.46 0.34 0.00 0.09 0.00 0.00 57.88 57.85 2e5n h LEU 36 Cb 0.72 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2e5n h LEU 36 CO 0.03 0.54 1.13 1.56 0.09 0.00 0.00 178.44 181.79 2e5n h GLN 37 N -0.89 0.00 0.58 1.13 1.08 -0.04 0.29 115.11 117.26 2e5n h GLN 37 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2e5n h GLN 37 Cb 0.56 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2e5n h GLN 37 CO 0.02 0.00 -0.28 0.87 -0.95 0.00 0.00 178.83 178.49 2e5n h LYS 38 N 0.00 -0.75 0.00 1.46 1.57 -1.55 -2.76 116.57 114.54 2e5n h LYS 38 Ca 0.55 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2e5n h LYS 38 Cb 2.81 0.17 0.00 0.00 0.08 0.00 0.00 32.23 35.29 2e5n h LYS 38 CO -0.01 -0.49 0.00 -0.25 -0.57 0.00 0.00 179.45 178.14 2e5n n ASP 39 N -5.42 0.65 0.00 0.86 8.00 0.85 -4.97 116.55 116.54 2e5n n ASP 39 Ca -0.13 0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2e5n n ASP 39 Cb 0.32 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2e5n n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e5n n GLY 40 N 1.25 4.06 2.66 0.44 0.00 -0.26 -5.01 105.19 108.33 2e5n n GLY 40 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.06 -0.03 0.74 1.61 1.01 -1.26 -4.49 120.40 117.91 2e5n s VAL 41 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2e5n s VAL 41 Cb 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.04 2e5n s VAL 41 CO 0.00 -0.00 1.23 0.20 0.00 0.00 0.00 175.10 176.52 2e5n s ASN 42 N 2.13 4.10 0.03 3.32 -0.87 -1.26 -4.89 114.94 117.50 2e5n s ASN 42 Ca 0.04 2.42 -0.18 0.00 -1.57 0.00 0.00 52.86 53.57 2e5n s ASN 42 Cb -0.14 -2.60 -0.21 0.00 -0.02 0.00 0.00 41.25 38.28 2e5n s ASN 42 CO -0.06 -2.33 1.16 -0.61 -2.57 0.00 0.00 177.10 172.69 2e5n h GLN 43 N -0.30 0.51 -0.06 -0.60 4.15 -2.00 -2.01 115.11 114.81 2e5n h GLN 43 Ca -0.48 -0.50 0.02 0.00 0.77 0.00 0.00 58.65 58.46 2e5n h GLN 43 Cb 1.31 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 2e5n h GLN 43 CO 0.49 1.13 0.05 1.57 -1.93 0.00 0.00 178.83 180.15 2e5n h LYS 44 N 0.08 0.00 0.14 1.69 2.10 -2.03 -2.02 116.57 116.53 2e5n h LYS 44 Ca -0.07 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.24 2e5n h LYS 44 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 2e5n h LYS 44 CO 0.13 0.00 -1.75 -0.44 -2.00 0.00 0.00 179.45 175.39 2e5n h ASP 45 N 0.00 0.46 -0.93 7.07 5.19 -1.93 -3.32 116.42 122.96 2e5n h ASP 45 Ca 0.03 -0.77 0.37 0.00 -0.62 0.00 0.00 57.03 56.04 2e5n h ASP 45 Cb 0.14 -0.15 -0.17 0.00 0.18 0.00 0.00 39.33 39.33 2e5n h ASP 45 CO -0.00 1.66 0.43 0.29 -3.12 0.00 0.00 179.24 178.50 2e5n n LYS 46 N -3.49 -0.06 0.11 3.56 5.02 -0.76 0.18 118.16 122.72 2e5n n LYS 46 Ca -0.24 1.30 -0.19 0.00 -2.02 0.00 0.00 58.31 57.17 2e5n n LYS 46 Cb 1.06 -2.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 2e5n n LYS 46 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2e5n h ASN 47 N 0.00 0.63 0.47 4.39 4.21 -1.70 -3.22 115.58 120.36 2e5n h ASN 47 Ca 0.76 -0.62 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 2e5n h ASN 47 Cb 1.96 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.95 2e5n h ASN 47 CO -0.74 1.46 -0.08 0.28 -1.29 0.00 0.00 177.43 177.06 2e5n h SER 48 N 0.16 0.00 0.41 5.81 0.02 0.17 -3.13 113.55 116.98 2e5n h SER 48 Ca -0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2e5n h SER 48 Cb 1.94 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.45 2e5n h SER 48 CO 0.22 0.08 -0.49 0.25 -1.14 0.00 0.00 176.83 175.75 2e5n h LEU 49 N 0.00 -1.37 -1.82 5.07 6.46 -0.55 -0.52 115.31 122.57 2e5n h LEU 49 Ca -0.00 0.12 0.39 0.00 -0.12 0.00 0.00 57.88 58.27 2e5n h LEU 49 Cb 0.34 0.47 -0.07 0.00 -0.73 0.00 0.00 40.66 40.66 2e5n h LEU 49 CO 0.01 -0.63 0.94 1.23 -0.62 0.00 0.00 178.44 179.37 2e5n h GLY 50 N -0.92 0.36 0.89 3.75 0.00 -1.72 0.33 103.07 105.76 2e5n h GLY 50 Ca -0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 2e5n h GLY 50 CO -0.11 -0.07 -0.87 0.00 0.00 0.00 0.00 176.54 175.48 2e5n h ALA 51 N 1.39 -0.01 -0.62 3.60 0.00 -1.41 -3.32 119.26 118.90 2e5n h ALA 51 Ca 0.68 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2e5n h ALA 51 Cb 2.49 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 20.34 2e5n h ALA 51 CO -0.11 0.46 0.24 0.82 0.00 0.00 0.00 179.25 180.67 2e5n h ILE 52 N -0.07 1.23 -0.96 0.00 2.04 0.11 -1.86 117.51 118.00 2e5n h ILE 52 Ca -0.13 -0.73 0.25 0.00 1.00 0.00 0.00 64.86 65.24 2e5n h ILE 52 Cb 1.61 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 2e5n h ILE 52 CO 0.17 0.29 0.65 -0.07 0.00 0.00 0.00 178.15 179.18 2e5n h LEU 53 N 0.86 0.25 0.00 1.44 3.38 -1.06 0.58 115.31 120.76 2e5n h LEU 53 Ca 0.20 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2e5n h LEU 53 Cb 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2e5n h LEU 53 CO -0.02 0.08 -1.01 1.56 0.09 0.00 0.00 178.44 179.14 2e5n h GLN 54 N 0.24 0.00 0.00 1.13 1.08 -1.48 1.00 115.11 117.07 2e5n h GLN 54 Ca 0.49 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.59 2e5n h GLN 54 Cb 1.52 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.93 2e5n h GLN 54 CO -0.14 0.10 -0.69 1.96 -0.95 0.00 0.00 178.83 179.12 2e5n h GLN 55 N 0.00 0.00 0.00 1.46 4.20 0.72 -3.38 115.11 118.11 2e5n h GLN 55 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2e5n h GLN 55 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2e5n h GLN 55 CO 0.02 0.40 -0.83 1.33 -0.67 0.00 0.00 178.83 179.07 2e5n n VAL 56 N -3.12 0.00 -4.67 -0.54 0.24 0.12 -5.05 118.33 105.32 2e5n n VAL 56 Ca -0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 2e5n n VAL 56 Cb 0.73 -0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 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 -1.75 3.64 -0.05 2.33 0.00 0.34 0.16 121.76 126.43 2e5n s ALA 57 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2e5n s ALA 57 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2e5n s ALA 57 CO 0.00 -0.13 -0.10 -0.80 0.00 0.00 0.00 175.76 174.74 2e5n s ASN 58 N -3.77 1.44 0.01 0.00 0.01 0.15 -3.51 114.94 109.26 2e5n s ASN 58 Ca 0.14 -0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 2e5n s ASN 58 Cb 0.03 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 2e5n s ASN 58 CO 0.08 0.02 1.03 -0.22 -1.51 0.00 0.00 177.10 176.50 2e5n s LEU 59 N 0.64 4.37 -0.81 0.60 0.20 -1.26 -0.25 118.68 122.16 2e5n s LEU 59 Ca -0.12 1.75 -0.06 0.00 0.69 0.00 0.00 54.13 56.39 2e5n s LEU 59 Cb -0.14 -3.57 0.21 0.00 -0.43 0.00 0.00 46.19 42.25 2e5n s LEU 59 CO 0.02 -0.31 0.70 0.21 -0.29 0.00 0.00 176.35 176.67 2e5n s ASN 60 N 1.02 6.05 0.37 3.68 3.84 -0.70 -4.92 114.94 124.29 2e5n s ASN 60 Ca 0.54 -3.18 0.32 0.00 0.21 0.00 0.00 52.86 50.75 2e5n s ASN 60 Cb -0.23 -1.99 1.21 0.00 -0.55 0.00 0.00 41.25 39.68 2e5n s ASN 60 CO 0.28 -0.35 1.16 -0.24 -2.79 0.00 0.00 177.10 175.16 2e5n n SER 61 N 3.14 0.07 -0.07 -4.21 2.88 -1.26 0.08 113.62 114.24 2e5n n SER 61 Ca 0.15 0.86 -0.04 0.00 -1.33 0.00 0.00 58.87 58.52 2e5n n SER 61 Cb 0.40 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 2e5n n SER 61 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2e5n h LYS 62 N 0.00 -0.06 -0.12 -1.46 1.63 -1.95 -3.08 116.57 111.53 2e5n h LYS 62 Ca 0.68 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 2e5n h LYS 62 Cb 2.50 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 34.14 2e5n h LYS 62 CO -0.16 -0.04 0.00 -0.25 -3.45 0.00 0.00 179.45 175.55 2e5n n ASP 63 N -3.53 2.82 -2.79 4.20 8.00 -0.02 -4.96 116.55 120.27 2e5n n ASP 63 Ca -0.00 -2.72 -0.17 0.00 0.71 0.00 0.00 54.79 52.60 2e5n n ASP 63 Cb 0.08 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.73 -1.48 -4.64 0.64 4.77 0.11 -4.94 117.00 110.73 2e5n n LEU 64 Ca 0.14 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 2e5n n LEU 64 Cb 0.62 -2.27 -0.10 0.00 -2.33 0.00 0.00 43.42 39.34 2e5n n LEU 64 CO 0.06 -0.00 -0.27 -0.94 -1.33 0.00 0.00 177.39 174.90 2e5n s SER 65 N -2.32 5.46 -0.20 -1.43 1.04 -1.22 -4.58 113.70 110.45 2e5n s SER 65 Ca 0.16 0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 2e5n s SER 65 Cb -0.08 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2e5n s SER 65 CO 0.19 0.24 0.83 -0.31 0.98 0.00 0.00 173.24 175.18 2e5n s TYR 66 N -0.03 3.37 -0.22 5.02 2.02 0.13 -1.72 117.35 125.91 2e5n s TYR 66 Ca 0.05 1.21 -0.08 0.00 -0.37 0.00 0.00 57.07 57.88 2e5n s TYR 66 Cb -0.12 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 2e5n s TYR 66 CO 0.01 -0.32 0.09 0.95 -1.57 0.00 0.00 175.55 174.72 2e5n s THR 67 N 2.48 4.71 0.14 -0.71 -4.23 0.65 -1.60 115.64 117.07 2e5n s THR 67 Ca 0.37 -0.05 -0.32 0.00 -1.18 0.00 0.00 61.69 60.51 2e5n s THR 67 Cb -0.16 -3.17 -0.11 0.00 1.34 0.00 0.00 72.50 70.40 2e5n s THR 67 CO 0.10 0.38 1.78 -0.11 -0.54 0.00 0.00 174.62 176.23 2e5n n LEU 68 N 4.29 3.91 -4.01 4.79 0.00 -1.26 0.30 117.00 125.03 2e5n n LEU 68 Ca -0.16 1.02 -0.17 0.00 0.00 0.00 0.00 56.01 56.70 2e5n n LEU 68 Cb 0.52 -1.54 0.15 0.00 0.00 0.00 0.00 43.42 42.55 2e5n n LEU 68 CO 0.33 0.12 0.09 0.29 0.00 0.00 0.00 177.39 178.23 2e5n n LYS 69 N 4.96 -2.42 -0.07 1.96 5.02 0.12 -4.87 118.16 122.87 2e5n n LYS 69 Ca 0.18 -0.72 -0.05 0.00 -2.02 0.00 0.00 58.31 55.70 2e5n n LYS 69 Cb 0.35 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2e5n n LYS 69 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2e5n n ASP 70 N -1.43 1.72 -0.21 4.39 2.03 -1.26 -4.30 116.55 117.49 2e5n n ASP 70 Ca 0.06 0.58 0.01 0.00 0.52 0.00 0.00 54.79 55.97 2e5n n ASP 70 Cb 0.34 -0.84 0.10 0.00 -0.72 0.00 0.00 41.12 39.99 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2e5n h TYR 71 N -0.94 -0.12 -1.18 -0.67 -0.00 -1.96 0.12 116.97 112.23 2e5n h TYR 71 Ca 0.00 0.05 0.40 0.00 -0.00 0.00 0.00 58.73 59.18 2e5n h TYR 71 Cb 0.53 0.15 -0.14 0.00 -0.00 0.00 0.00 36.73 37.27 2e5n h TYR 71 CO -0.23 -0.20 0.73 0.28 -0.00 0.00 0.00 178.16 178.74 2e5n h VAL 72 N 0.08 0.17 -1.01 -0.90 2.07 -1.89 0.43 116.25 115.21 2e5n h VAL 72 Ca 0.32 -0.05 0.32 0.00 0.82 0.00 0.00 66.70 68.12 2e5n h VAL 72 Cb 0.53 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 30.16 2e5n h VAL 72 CO -0.57 0.03 0.58 -0.26 0.02 0.00 0.00 177.57 177.36 2e5n h PHE 73 N 0.14 0.93 -0.06 1.57 0.04 -0.94 1.25 116.94 119.87 2e5n h PHE 73 Ca 0.79 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 61.53 2e5n h PHE 73 Cb 2.25 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 40.15 2e5n h PHE 73 CO -0.01 -0.16 -0.29 1.57 -0.60 0.00 0.00 178.31 178.82 2e5n h LYS 74 N 0.33 0.11 0.00 1.51 2.10 -0.27 -2.44 116.57 117.91 2e5n h LYS 74 Ca 0.73 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 59.24 2e5n h LYS 74 Cb 1.67 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.97 2e5n h LYS 74 CO -0.60 0.40 -0.52 0.93 -2.00 0.00 0.00 179.45 177.67 2e5n h GLU 75 N 0.10 0.00 -6.17 0.07 5.08 0.15 -3.46 114.58 110.36 2e5n h GLU 75 Ca 0.01 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.87 2e5n h GLU 75 Cb 0.57 0.00 0.25 0.00 0.50 0.00 0.00 28.75 30.07 2e5n h GLU 75 CO 0.04 0.52 -2.09 1.28 -1.00 0.00 0.00 179.01 177.76 2e5n n LEU 76 N -3.69 -3.50 -3.87 1.33 4.77 -0.77 -4.96 117.00 106.32 2e5n n LEU 76 Ca -0.01 0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2e5n n LEU 76 Cb 0.57 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 2e5n n LEU 76 CO 0.40 -3.62 -0.35 -1.10 -1.33 0.00 0.00 177.39 171.39 2e5n s GLN 77 N -2.35 1.14 0.64 3.23 -0.21 -1.26 -4.97 119.66 115.87 2e5n s GLN 77 Ca 0.42 -1.34 0.25 0.00 0.02 0.00 0.00 55.36 54.71 2e5n s GLN 77 Cb -0.03 -2.53 1.29 0.00 1.00 0.00 0.00 33.01 32.75 2e5n s GLN 77 CO 0.71 -0.90 1.73 0.00 -2.12 0.00 0.00 175.29 174.71 2e5n h ARG 78 N 7.90 0.00 -0.86 2.91 2.47 -1.97 0.87 114.38 125.70 2e5n h ARG 78 Ca -0.11 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.38 2e5n h ARG 78 Cb 1.03 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.21 2e5n h ARG 78 CO 0.48 0.00 0.29 -0.25 0.56 0.00 0.00 179.97 181.05 2e5n n ASP 79 N -3.12 4.05 -4.66 7.04 8.00 -1.26 -4.95 116.55 121.65 2e5n n ASP 79 Ca 0.04 -3.01 -0.42 0.00 0.71 0.00 0.00 54.79 52.10 2e5n n ASP 79 Cb 0.65 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2e5n s TRP 80 N -2.46 1.78 -2.00 1.24 -0.11 0.30 -4.85 118.94 112.84 2e5n s TRP 80 Ca 0.43 0.03 0.10 0.00 1.22 0.00 0.00 56.10 57.88 2e5n s TRP 80 Cb 0.35 -4.01 0.62 0.00 -1.50 0.00 0.00 33.47 28.93 2e5n s TRP 80 CO 0.10 -4.30 1.06 -0.35 -4.62 0.00 0.00 176.95 168.84 2e5n n PRO 81 N 7.29 0.49 -0.19 5.86 -0.04 -1.26 -2.36 135.00 144.78 2e5n n PRO 81 Ca 0.18 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2e5n n PRO 81 Cb 0.42 -1.33 0.25 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.57 3.38 0.55 0.00 -1.26 -4.81 105.19 104.60 2e5n n GLY 82 Ca 0.08 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.49 3.04 0.68 1.61 2.02 -0.99 -4.99 117.35 117.23 2e5n s TYR 83 Ca 0.38 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 2e5n s TYR 83 Cb 0.22 -2.19 0.16 0.00 -0.40 0.00 0.00 41.96 39.75 2e5n s TYR 83 CO 0.31 -0.45 0.81 0.43 -1.57 0.00 0.00 175.55 175.08 2e5n n SER 84 N 4.87 -0.46 -0.14 2.29 7.64 -1.26 -4.48 113.62 122.08 2e5n n SER 84 Ca -0.17 -1.20 0.27 0.00 1.01 0.00 0.00 58.87 58.78 2e5n n SER 84 Cb 0.51 -0.66 0.72 0.00 -1.01 0.00 0.00 64.21 63.77 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 4.57 -2.01 -2.23 114.58 116.34 2e5n h GLU 85 Ca -0.27 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.82 2e5n h GLU 85 Cb 0.78 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2e5n h GLU 85 CO 0.19 0.00 -0.91 -0.89 -1.18 0.00 0.00 179.01 176.22 2e5n n ILE 86 N -4.26 1.46 -0.29 2.32 -0.00 -1.26 -4.27 119.36 113.06 2e5n n ILE 86 Ca 0.17 0.11 -0.08 0.00 -0.00 0.00 0.00 62.75 62.94 2e5n n ILE 86 Cb 0.89 -2.27 -0.07 0.00 -0.00 0.00 0.00 39.64 38.19 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 -4.52 -0.74 -0.41 4.38 8.00 -1.07 -0.04 116.55 122.15 2e5n n ASP 87 Ca -0.18 1.38 -0.08 0.00 0.71 0.00 0.00 54.79 56.62 2e5n n ASP 87 Cb 0.45 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 2e5n n ASP 87 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2e5n n ARG 88 N -4.68 -0.38 0.29 -1.24 1.74 -0.86 0.22 116.66 111.75 2e5n n ARG 88 Ca 0.01 1.51 0.18 0.00 -0.77 0.00 0.00 57.85 58.78 2e5n n ARG 88 Cb 0.18 -2.22 0.86 0.00 -1.02 0.00 0.00 32.46 30.26 2e5n n ARG 88 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2e5n h ARG 89 N 0.00 0.00 0.00 5.56 0.11 -0.89 -1.04 114.38 118.12 2e5n h ARG 89 Ca 0.21 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.28 2e5n h ARG 89 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 2e5n h ARG 89 CO -0.95 0.04 -0.24 1.03 0.10 0.00 0.00 179.97 179.95 2e5n h SER 90 N 0.00 0.00 0.05 0.08 0.87 0.64 -3.35 113.55 111.85 2e5n h SER 90 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2e5n h SER 90 Cb 0.32 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 2e5n h SER 90 CO 0.00 0.08 -1.82 -0.11 -0.53 0.00 0.00 176.83 174.45 2e5n n LEU 91 N -3.05 2.29 0.15 2.23 0.00 0.14 -4.10 117.00 114.67 2e5n n LEU 91 Ca 0.03 0.27 0.14 0.00 0.00 0.00 0.00 56.01 56.45 2e5n n LEU 91 Cb 0.57 -1.01 0.40 0.00 0.00 0.00 0.00 43.42 43.38 2e5n n LEU 91 CO 0.36 0.61 1.12 1.05 0.00 0.00 0.00 177.39 180.53 2e5n h GLU 92 N -0.48 0.00 0.16 1.96 4.11 -1.36 -0.75 114.58 118.22 2e5n h GLU 92 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2e5n h GLU 92 CO -0.10 0.00 -0.08 1.03 0.07 0.00 0.00 179.01 179.93 2e5n h SER 93 N 0.00 -0.18 -0.93 3.06 0.87 -1.71 -3.07 113.55 111.58 2e5n h SER 93 Ca 0.16 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2e5n h SER 93 Cb 1.84 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 63.73 2e5n h SER 93 CO -0.00 0.06 -0.52 0.52 -0.53 0.00 0.00 176.83 176.35 2e5n n VAL 94 N -3.61 -0.61 -0.34 2.23 0.31 -0.30 0.13 118.33 116.13 2e5n n VAL 94 Ca -0.03 2.25 0.16 0.00 -0.01 0.00 0.00 64.34 66.71 2e5n n VAL 94 Cb 0.08 -2.80 0.38 0.00 -0.91 0.00 0.00 33.84 30.59 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 0.68 -1.04 7.52 3.38 -1.68 0.37 115.31 124.55 2e5n h LEU 95 Ca 0.17 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2e5n h LEU 95 Cb 0.41 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2e5n h LEU 95 CO -0.88 0.19 -0.11 -1.28 0.09 0.00 0.00 178.44 176.44 2e5n h SER 96 N 0.63 0.55 -0.00 -0.43 0.87 0.11 0.11 113.55 115.39 2e5n h SER 96 Ca 0.60 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 2e5n h SER 96 Cb 1.11 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2e5n h SER 96 CO -0.39 0.69 -0.02 0.03 -0.53 0.00 0.00 176.83 176.61 2e5n h ARG 97 N 0.52 0.02 0.00 2.24 3.08 0.11 -3.40 114.38 116.95 2e5n h ARG 97 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2e5n h ARG 97 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2e5n h ARG 97 CO 0.03 0.77 0.00 1.63 -1.07 0.00 0.00 179.97 181.33 2e5n n LYS 98 N -4.70 0.00 -1.55 0.04 4.76 0.35 -4.50 118.16 112.56 2e5n n LYS 98 Ca -0.09 0.40 -0.25 0.00 -2.87 0.00 0.00 58.31 55.51 2e5n n LYS 98 Cb 0.38 -1.17 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 2e5n n LYS 98 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2e5n n LEU 99 N -1.71 1.59 0.00 -0.35 4.77 0.38 -5.08 117.00 116.60 2e5n n LEU 99 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2e5n n LEU 99 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 2e5n n LEU 99 CO 0.00 -1.99 0.00 -3.20 -1.33 0.00 0.00 177.39 170.87