#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 3.41 -0.21 1.61 0.01 -1.26 -5.03 113.70 112.23 2e5n s SER 2 Ca 0.00 1.06 -0.16 0.00 1.31 0.00 0.00 55.95 58.16 2e5n s SER 2 Cb 0.00 -1.67 -0.08 0.00 0.21 0.00 0.00 66.02 64.47 2e5n s SER 2 CO 0.00 -2.62 -0.31 -1.54 0.41 0.00 0.00 173.24 169.18 2e5n n SER 3 N -3.83 1.93 -3.57 2.44 3.41 -1.26 -5.11 113.62 107.64 2e5n n SER 3 Ca 0.06 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 59.03 2e5n n SER 3 Cb 0.58 -0.79 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 2e5n n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e5n s GLY 4 N -5.04 -0.09 0.30 5.00 0.00 -1.26 -5.19 107.32 101.04 2e5n s GLY 4 Ca -0.31 -0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.22 2e5n s GLY 4 CO 0.44 2.30 0.70 -1.35 0.00 0.00 0.00 173.10 175.18 2e5n s SER 5 N -3.34 -0.16 -0.65 1.64 1.04 -1.26 -5.11 113.70 105.86 2e5n s SER 5 Ca 0.20 -0.77 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 2e5n s SER 5 Cb -0.01 0.74 0.13 0.00 0.10 0.00 0.00 66.02 66.98 2e5n s SER 5 CO 0.02 -1.39 0.70 -0.55 0.98 0.00 0.00 173.24 173.00 2e5n s SER 6 N -2.97 6.32 -0.77 7.02 0.15 -1.26 -5.00 113.70 117.18 2e5n s SER 6 Ca 0.14 -1.78 -0.17 0.00 0.70 0.00 0.00 55.95 54.84 2e5n s SER 6 Cb -0.05 -2.27 0.16 0.00 -1.71 0.00 0.00 66.02 62.14 2e5n s SER 6 CO 0.08 -0.96 0.84 -0.83 1.20 0.00 0.00 173.24 173.57 2e5n s GLY 7 N 3.38 2.17 0.12 9.45 0.00 -1.26 -5.03 107.32 116.15 2e5n s GLY 7 Ca 0.12 -2.81 0.02 0.00 0.00 0.00 0.00 44.72 42.05 2e5n s GLY 7 CO 0.02 1.56 0.23 -0.51 0.00 0.00 0.00 173.10 174.40 2e5n s THR 8 N 1.67 5.19 0.15 0.90 -4.23 -1.26 -5.02 115.64 113.04 2e5n s THR 8 Ca 0.19 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.90 2e5n s THR 8 Cb -0.14 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.10 2e5n s THR 8 CO -0.04 -0.02 1.66 0.40 -0.54 0.00 0.00 174.62 176.08 2e5n h ILE 9 N 1.86 1.23 -0.80 2.99 1.08 -1.96 -2.91 117.51 119.00 2e5n h ILE 9 Ca -0.47 -0.78 0.15 0.00 -0.39 0.00 0.00 64.86 63.37 2e5n h ILE 9 Cb 1.18 0.83 -0.10 0.00 -3.07 0.00 0.00 36.82 35.66 2e5n h ILE 9 CO 0.70 0.28 0.36 0.77 -0.69 0.00 0.00 178.15 179.56 2e5n h SER 10 N 0.64 0.36 -0.21 1.72 4.64 -1.93 0.39 113.55 119.17 2e5n h SER 10 Ca 0.15 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.64 2e5n h SER 10 Cb 0.29 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2e5n h SER 10 CO -0.00 0.13 0.29 1.56 -0.87 0.00 0.00 176.83 177.93 2e5n h GLN 11 N 0.50 0.00 -7.10 4.77 4.20 -1.93 -3.42 115.11 112.13 2e5n h GLN 11 Ca 0.45 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.70 2e5n h GLN 11 Cb 0.69 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 2e5n h GLN 11 CO -0.41 0.00 0.34 1.03 -0.67 0.00 0.00 178.83 179.12 2e5n s ARG 12 N -4.51 4.07 0.21 1.46 1.81 0.14 -5.02 118.95 117.11 2e5n s ARG 12 Ca -0.04 1.00 -0.30 0.00 -1.72 0.00 0.00 55.73 54.67 2e5n s ARG 12 Cb 0.14 -2.18 -0.09 0.00 -0.45 0.00 0.00 34.95 32.38 2e5n s ARG 12 CO 0.49 -0.14 1.30 -1.25 -0.68 0.00 0.00 175.30 175.03 2e5n s PRO 13 N -3.61 4.40 0.13 3.54 0.04 -1.26 -4.92 135.00 133.31 2e5n s PRO 13 Ca 0.60 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.41 2e5n s PRO 13 Cb -0.10 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 2e5n s PRO 13 CO 0.22 -0.23 1.49 -0.92 0.04 0.00 0.00 177.00 177.60 2e5n h TYR 14 N 5.22 -1.65 -0.21 0.56 3.20 -1.93 -1.95 116.97 120.21 2e5n h TYR 14 Ca -0.45 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.54 2e5n h TYR 14 Cb 1.21 0.81 -0.03 0.00 1.54 0.00 0.00 36.73 40.27 2e5n h TYR 14 CO 0.62 -0.37 -0.13 -2.13 -1.64 0.00 0.00 178.16 174.51 2e5n n ARG 15 N -5.04 -0.09 -0.25 1.82 0.63 -1.26 -0.07 116.66 112.40 2e5n n ARG 15 Ca 0.00 0.78 -0.09 0.00 -0.92 0.00 0.00 57.85 57.63 2e5n n ARG 15 Cb 0.26 -1.17 -0.05 0.00 0.45 0.00 0.00 32.46 31.95 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 -1.68 -1.02 6.15 3.32 -1.76 0.53 116.42 121.97 2e5n h ASP 16 Ca 0.03 0.27 0.25 0.00 0.02 0.00 0.00 57.03 57.60 2e5n h ASP 16 Cb 0.09 0.75 -0.10 0.00 0.22 0.00 0.00 39.33 40.30 2e5n h ASP 16 CO -0.20 -0.32 0.65 0.03 -1.72 0.00 0.00 179.24 177.67 2e5n h ARG 17 N -0.19 0.45 0.22 3.56 3.08 -0.14 0.23 114.38 121.59 2e5n h ARG 17 Ca 0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2e5n h ARG 17 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2e5n h ARG 17 CO -0.75 0.30 -0.10 0.28 -1.07 0.00 0.00 179.97 178.63 2e5n h VAL 18 N 0.47 0.00 -0.84 2.04 2.07 0.21 -3.18 116.25 117.02 2e5n h VAL 18 Ca 0.59 -0.24 0.20 0.00 0.82 0.00 0.00 66.70 68.07 2e5n h VAL 18 Cb 1.36 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 2e5n h VAL 18 CO -0.32 0.00 0.30 0.16 0.02 0.00 0.00 177.57 177.74 2e5n h ILE 19 N -0.53 0.48 -0.51 4.57 3.07 -0.59 0.61 117.51 124.62 2e5n h ILE 19 Ca -0.03 -0.12 0.15 0.00 1.55 0.00 0.00 64.86 66.41 2e5n h ILE 19 Cb 0.22 0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 36.86 2e5n h ILE 19 CO 0.05 0.06 0.45 0.45 -1.05 0.00 0.00 178.15 178.11 2e5n h HIS 20 N 0.35 0.00 0.04 0.16 3.86 -0.63 0.41 115.15 119.34 2e5n h HIS 20 Ca 0.50 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.47 2e5n h HIS 20 Cb 0.92 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 2e5n h HIS 20 CO -0.19 0.00 -1.29 -0.07 0.86 0.00 0.00 177.93 177.24 2e5n h LEU 21 N 0.00 0.13 -2.20 2.43 3.38 0.20 -3.36 115.31 115.89 2e5n h LEU 21 Ca 0.24 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2e5n h LEU 21 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2e5n h LEU 21 CO -0.00 1.53 -0.05 -0.07 0.09 0.00 0.00 178.44 179.94 2e5n h LEU 22 N -0.72 0.00 0.01 1.67 3.38 -0.38 -3.22 115.31 116.04 2e5n h LEU 22 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2e5n h LEU 22 Cb 1.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 2e5n h LEU 22 CO -0.10 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.46 2e5n h ALA 23 N 1.95 -0.72 -0.89 1.53 0.00 -0.34 -2.82 119.26 117.97 2e5n h ALA 23 Ca -0.00 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2e5n h ALA 23 Cb 0.24 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 2e5n h ALA 23 CO 0.01 -0.72 0.07 -0.07 0.00 0.00 0.00 179.25 178.54 2e5n h LEU 24 N -0.02 -0.32 -7.91 0.00 3.38 -1.75 -3.44 115.31 105.25 2e5n h LEU 24 Ca -0.00 0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.30 2e5n h LEU 24 Cb 0.02 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2e5n h LEU 24 CO -0.00 -0.25 0.29 -1.59 0.09 0.00 0.00 178.44 176.98 2e5n s LYS 25 N -6.02 1.64 0.34 1.13 -2.85 -1.06 -5.06 119.74 107.86 2e5n s LYS 25 Ca -0.13 -0.91 -0.26 0.00 -1.00 0.00 0.00 55.97 53.67 2e5n s LYS 25 Cb 0.26 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.50 2e5n s LYS 25 CO 0.77 -0.75 1.07 0.00 0.10 0.00 0.00 175.35 176.53 2e5n s ALA 26 N -3.77 3.23 0.12 0.59 0.00 -1.25 -3.95 121.76 116.73 2e5n s ALA 26 Ca 0.11 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.91 2e5n s ALA 26 Cb -0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2e5n s ALA 26 CO 0.06 -0.18 -0.13 0.71 0.00 0.00 0.00 175.76 176.21 2e5n s TYR 27 N -1.43 1.33 0.17 0.00 1.51 -0.31 -4.82 117.35 113.80 2e5n s TYR 27 Ca 0.52 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 2e5n s TYR 27 Cb -0.26 -0.70 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 2e5n s TYR 27 CO 0.33 0.12 0.50 0.15 -1.11 0.00 0.00 175.55 175.55 2e5n s LYS 28 N -2.72 3.82 0.18 -0.62 3.01 -1.26 -0.12 119.74 122.03 2e5n s LYS 28 Ca 0.08 0.28 -0.15 0.00 -1.01 0.00 0.00 55.97 55.17 2e5n s LYS 28 Cb -0.04 -2.81 0.17 0.00 -1.01 0.00 0.00 37.83 34.14 2e5n s LYS 28 CO 0.02 0.42 1.23 1.17 0.51 0.00 0.00 175.35 178.70 2e5n n LYS 29 N 0.33 -0.20 -0.00 1.68 3.00 -1.26 0.31 118.16 122.02 2e5n n LYS 29 Ca -0.03 1.21 -0.13 0.00 -0.00 0.00 0.00 58.31 59.37 2e5n n LYS 29 Cb 0.52 -1.80 -0.10 0.00 0.00 0.00 0.00 35.03 33.65 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 0.14 1.64 0.13 -1.96 -3.23 132.00 128.69 2e5n h PRO 30 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2e5n h PRO 30 Cb 0.46 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2e5n h PRO 30 CO -0.78 0.44 -0.16 1.49 -0.23 0.00 0.00 178.00 178.76 2e5n h GLU 31 N -0.52 -0.29 -0.71 0.86 4.81 -1.31 -2.28 114.58 115.14 2e5n h GLU 31 Ca -0.00 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.48 2e5n h GLU 31 Cb 0.49 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.81 2e5n h GLU 31 CO 0.01 -0.19 0.15 -0.11 -0.73 0.00 0.00 179.01 178.13 2e5n n LEU 32 N -3.27 0.04 0.28 1.64 0.00 0.15 0.11 117.00 115.95 2e5n n LEU 32 Ca -0.04 1.19 -0.16 0.00 0.00 0.00 0.00 56.01 57.00 2e5n n LEU 32 Cb 0.14 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 42.99 2e5n n LEU 32 CO 0.08 -1.25 0.66 -0.07 0.00 0.00 0.00 177.39 176.81 2e5n h LEU 33 N 0.00 -0.58 -0.97 -1.96 3.38 -1.46 -2.27 115.31 111.46 2e5n h LEU 33 Ca 0.49 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.73 2e5n h LEU 33 Cb 1.14 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 2e5n h LEU 33 CO -0.62 -0.37 1.20 0.00 0.09 0.00 0.00 178.44 178.74 2e5n h ALA 34 N -0.27 2.89 0.11 1.53 0.00 0.13 1.35 119.26 125.01 2e5n h ALA 34 Ca -0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 2e5n h ALA 34 Cb 0.55 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2e5n h ALA 34 CO 0.11 -1.69 -1.26 0.00 0.00 0.00 0.00 179.25 176.42 2e5n h ARG 35 N 0.00 0.22 0.02 0.00 2.47 -1.25 -3.35 114.38 112.50 2e5n h ARG 35 Ca 0.45 -0.38 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2e5n h ARG 35 Cb 2.84 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 31.30 2e5n h ARG 35 CO -0.00 1.18 -0.01 -0.07 0.56 0.00 0.00 179.97 181.63 2e5n h LEU 36 N -0.39 -0.03 -0.80 3.04 3.38 0.16 -3.34 115.31 117.35 2e5n h LEU 36 Ca -0.27 -0.56 0.24 0.00 0.09 0.00 0.00 57.88 57.37 2e5n h LEU 36 Cb 1.68 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 42.29 2e5n h LEU 36 CO 0.05 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.39 2e5n n GLN 37 N -4.72 -0.06 -0.30 1.13 1.13 0.24 0.09 117.38 114.89 2e5n n GLN 37 Ca -0.06 1.18 -0.10 0.00 -1.94 0.00 0.00 57.00 56.08 2e5n n GLN 37 Cb 0.28 -1.91 -0.07 0.00 0.11 0.00 0.00 30.24 28.66 2e5n n GLN 37 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2e5n h LYS 38 N 0.00 -0.13 0.00 -1.09 1.57 -1.69 0.77 116.57 115.99 2e5n h LYS 38 Ca 0.51 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.26 2e5n h LYS 38 Cb 1.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2e5n h LYS 38 CO -0.73 -0.09 -0.16 -0.44 -0.57 0.00 0.00 179.45 177.46 2e5n h ASP 39 N -0.14 0.00 0.00 0.86 3.32 -0.54 -3.47 116.42 116.45 2e5n h ASP 39 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2e5n h ASP 39 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2e5n h ASP 39 CO -0.81 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 177.48 2e5n n GLY 40 N -0.31 2.85 3.29 2.75 0.00 0.27 -4.96 105.19 109.08 2e5n n GLY 40 Ca -0.01 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 2.97 0.28 1.61 1.01 -1.24 -4.75 120.40 120.28 2e5n s VAL 41 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2e5n s VAL 41 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 2e5n s VAL 41 CO 0.00 0.48 1.44 0.20 0.00 0.00 0.00 175.10 177.22 2e5n s ASN 42 N 1.03 6.62 0.12 3.32 0.01 -1.26 -4.86 114.94 119.91 2e5n s ASN 42 Ca -0.01 2.73 -0.21 0.00 -0.71 0.00 0.00 52.86 54.67 2e5n s ASN 42 Cb -0.15 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.82 2e5n s ASN 42 CO -0.02 -0.71 1.72 -0.61 -1.51 0.00 0.00 177.10 175.97 2e5n h GLN 43 N 4.60 0.04 -0.16 -0.60 4.15 -1.99 0.15 115.11 121.30 2e5n h GLN 43 Ca -0.47 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 58.99 2e5n h GLN 43 Cb 1.22 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2e5n h GLN 43 CO 0.75 0.03 0.21 1.57 -1.93 0.00 0.00 178.83 179.45 2e5n h LYS 44 N 0.04 0.00 0.10 1.69 2.10 -2.03 -0.84 116.57 117.63 2e5n h LYS 44 Ca 0.07 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.39 2e5n h LYS 44 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 2e5n h LYS 44 CO -0.13 0.00 -1.75 -0.44 -2.00 0.00 0.00 179.45 175.14 2e5n h ASP 45 N 0.00 0.33 -1.42 7.07 3.32 -1.53 -3.32 116.42 120.86 2e5n h ASP 45 Ca 0.08 -0.60 0.44 0.00 0.02 0.00 0.00 57.03 56.97 2e5n h ASP 45 Cb 0.49 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.82 2e5n h ASP 45 CO -0.00 1.52 0.96 0.11 -1.72 0.00 0.00 179.24 180.11 2e5n h LYS 46 N 0.06 0.07 0.17 3.56 1.57 0.74 0.61 116.57 123.36 2e5n h LYS 46 Ca -0.32 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.18 2e5n h LYS 46 Cb 2.03 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 34.34 2e5n h LYS 46 CO 0.12 0.05 -1.31 -0.97 -0.57 0.00 0.00 179.45 176.77 2e5n h ASN 47 N 0.08 0.56 -0.53 0.86 -1.24 -1.69 -3.33 115.58 110.27 2e5n h ASN 47 Ca 0.81 -0.91 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2e5n h ASN 47 Cb 2.73 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 41.57 2e5n h ASN 47 CO -0.29 1.61 0.33 0.77 -1.29 0.00 0.00 177.43 178.55 2e5n h SER 48 N -0.15 0.65 -0.99 1.15 4.64 -0.06 -3.02 113.55 115.76 2e5n h SER 48 Ca -0.25 -0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.15 2e5n h SER 48 Cb 1.88 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 63.67 2e5n h SER 48 CO 0.16 0.50 -0.50 -0.11 -0.87 0.00 0.00 176.83 176.01 2e5n n LEU 49 N -4.42 -0.87 -0.35 5.97 0.00 0.82 0.99 117.00 119.14 2e5n n LEU 49 Ca 0.05 1.75 0.23 0.00 0.00 0.00 0.00 56.01 58.03 2e5n n LEU 49 Cb 0.07 -0.30 0.48 0.00 0.00 0.00 0.00 43.42 43.67 2e5n n LEU 49 CO 0.36 -1.49 1.18 1.23 0.00 0.00 0.00 177.39 178.68 2e5n h GLY 50 N 0.00 1.61 1.02 -3.96 0.00 -1.73 0.18 103.07 100.19 2e5n h GLY 50 Ca 0.24 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2e5n h GLY 50 CO -0.95 -0.26 -0.58 0.00 0.00 0.00 0.00 176.54 174.74 2e5n h ALA 51 N 1.70 0.29 -0.24 3.60 0.00 0.49 -3.27 119.26 121.81 2e5n h ALA 51 Ca 0.66 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2e5n h ALA 51 Cb 1.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2e5n h ALA 51 CO -0.42 0.52 0.10 0.82 0.00 0.00 0.00 179.25 180.27 2e5n h ILE 52 N 0.36 1.17 -1.17 0.00 2.04 0.93 -1.88 117.51 118.96 2e5n h ILE 52 Ca -0.03 -0.53 0.33 0.00 1.00 0.00 0.00 64.86 65.64 2e5n h ILE 52 Cb 1.21 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2e5n h ILE 52 CO 0.12 0.17 0.81 -0.07 0.00 0.00 0.00 178.15 179.19 2e5n h LEU 53 N 0.24 0.16 0.00 1.44 3.38 -0.87 1.19 115.31 120.85 2e5n h LEU 53 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2e5n h LEU 53 Cb 0.18 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2e5n h LEU 53 CO -0.01 0.01 -0.92 -0.61 0.09 0.00 0.00 178.44 177.01 2e5n h GLN 54 N 0.13 0.00 0.00 1.13 4.15 -1.51 1.01 115.11 120.02 2e5n h GLN 54 Ca 0.60 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.92 2e5n h GLN 54 Cb 2.08 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.76 2e5n h GLN 54 CO -0.13 0.01 -0.83 1.96 -1.93 0.00 0.00 178.83 177.91 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.20 -3.38 115.11 114.70 2e5n h GLN 55 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2e5n h GLN 55 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2e5n h GLN 55 CO 0.00 0.31 -0.75 1.33 -0.95 0.00 0.00 178.83 178.77 2e5n n VAL 56 N -3.02 0.00 -4.64 -0.54 0.24 0.11 -5.04 118.33 105.44 2e5n n VAL 56 Ca -0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.99 2e5n n VAL 56 Cb 0.72 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 33.18 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 -1.55 3.50 -0.07 2.33 0.00 0.35 0.06 121.76 126.37 2e5n s ALA 57 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2e5n s ALA 57 Cb 0.00 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2e5n s ALA 57 CO 0.00 -0.17 -0.02 -0.80 0.00 0.00 0.00 175.76 174.77 2e5n s ASN 58 N -3.74 1.56 0.02 0.00 0.01 0.25 -3.64 114.94 109.40 2e5n s ASN 58 Ca 0.16 -0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 2e5n s ASN 58 Cb 0.03 -0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 2e5n s ASN 58 CO 0.09 -0.16 1.03 -0.22 -1.51 0.00 0.00 177.10 176.33 2e5n s LEU 59 N 1.75 4.38 -0.41 0.60 0.20 -1.26 -0.01 118.68 123.92 2e5n s LEU 59 Ca 0.02 1.75 -0.07 0.00 0.69 0.00 0.00 54.13 56.52 2e5n s LEU 59 Cb -0.13 -3.57 0.08 0.00 -0.43 0.00 0.00 46.19 42.14 2e5n s LEU 59 CO -0.05 -0.30 0.23 0.21 -0.29 0.00 0.00 176.35 176.16 2e5n s ASN 60 N 0.96 5.51 0.60 3.68 3.84 -0.76 -4.94 114.94 123.82 2e5n s ASN 60 Ca 0.53 -1.60 0.30 0.00 0.21 0.00 0.00 52.86 52.31 2e5n s ASN 60 Cb -0.23 -1.94 1.16 0.00 -0.55 0.00 0.00 41.25 39.70 2e5n s ASN 60 CO 0.28 -0.52 1.49 0.77 -2.79 0.00 0.00 177.10 176.33 2e5n h SER 61 N 8.31 0.00 -0.02 -4.21 4.64 -1.94 0.37 113.55 120.70 2e5n h SER 61 Ca -0.21 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2e5n h SER 61 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2e5n h SER 61 CO 0.73 0.00 -0.13 0.50 -0.87 0.00 0.00 176.83 177.06 2e5n h LYS 62 N 0.00 -0.14 -0.10 4.77 1.63 -1.95 -3.24 116.57 117.53 2e5n h LYS 62 Ca 0.48 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.26 2e5n h LYS 62 Cb 2.60 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 34.25 2e5n h LYS 62 CO -0.01 -0.10 -0.12 -3.47 -3.45 0.00 0.00 179.45 172.31 2e5n n ASP 63 N -3.24 2.53 -3.08 4.20 2.03 -0.61 -4.96 116.55 113.43 2e5n n ASP 63 Ca -0.02 -3.36 -0.15 0.00 0.52 0.00 0.00 54.79 51.79 2e5n n ASP 63 Cb 0.09 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2e5n n LEU 64 N -1.14 -0.62 -4.64 -2.67 4.77 0.12 -4.89 117.00 107.92 2e5n n LEU 64 Ca 0.20 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2e5n n LEU 64 Cb 0.76 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 2e5n n LEU 64 CO 0.05 0.04 -0.30 -0.94 -1.33 0.00 0.00 177.39 174.91 2e5n s SER 65 N -2.40 5.29 -0.01 -1.43 1.04 -1.22 -4.59 113.70 110.38 2e5n s SER 65 Ca 0.25 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 2e5n s SER 65 Cb -0.14 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 2e5n s SER 65 CO 0.31 0.29 0.81 -0.31 0.98 0.00 0.00 173.24 175.32 2e5n s TYR 66 N -0.36 3.65 -0.19 5.02 2.02 0.83 -1.83 117.35 126.50 2e5n s TYR 66 Ca 0.07 1.46 -0.03 0.00 -0.37 0.00 0.00 57.07 58.20 2e5n s TYR 66 Cb -0.12 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 2e5n s TYR 66 CO 0.02 0.11 -0.05 0.95 -1.57 0.00 0.00 175.55 175.02 2e5n s THR 67 N 0.60 3.52 0.06 -0.71 -4.23 0.98 -1.16 115.64 114.69 2e5n s THR 67 Ca 0.42 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2e5n s THR 67 Cb -0.20 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 2e5n s THR 67 CO 0.23 0.45 1.86 -0.22 -0.54 0.00 0.00 174.62 176.41 2e5n s LEU 68 N 0.98 4.41 0.96 4.79 0.20 -1.25 0.87 118.68 129.64 2e5n s LEU 68 Ca 0.00 2.64 -0.12 0.00 0.69 0.00 0.00 54.13 57.34 2e5n s LEU 68 Cb -0.15 -3.54 0.15 0.00 -0.43 0.00 0.00 46.19 42.22 2e5n s LEU 68 CO 0.01 -1.01 0.27 0.29 -0.29 0.00 0.00 176.35 175.61 2e5n n LYS 69 N 6.74 -2.04 -0.06 1.98 5.02 0.11 -4.90 118.16 125.02 2e5n n LYS 69 Ca 0.19 -0.60 -0.04 0.00 -2.02 0.00 0.00 58.31 55.83 2e5n n LYS 69 Cb 0.40 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 2e5n n LYS 69 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2e5n h ASP 70 N -2.61 0.00 -0.81 4.39 1.82 -1.93 -3.38 116.42 113.91 2e5n h ASP 70 Ca -0.22 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.60 2e5n h ASP 70 Cb 0.70 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.60 2e5n h ASP 70 CO 0.14 0.64 0.28 0.10 -1.61 0.00 0.00 179.24 178.79 2e5n h TYR 71 N -0.85 0.46 -1.12 0.28 -0.00 -1.96 0.20 116.97 113.97 2e5n h TYR 71 Ca 0.00 0.04 0.32 0.00 -0.00 0.00 0.00 58.73 59.09 2e5n h TYR 71 Cb 0.42 -0.08 -0.10 0.00 -0.00 0.00 0.00 36.73 36.97 2e5n h TYR 71 CO -0.18 -0.05 0.72 0.28 -0.00 0.00 0.00 178.16 178.92 2e5n h VAL 72 N 0.35 0.40 -1.18 -0.90 2.07 -1.89 0.35 116.25 115.44 2e5n h VAL 72 Ca 0.48 -0.10 0.34 0.00 0.82 0.00 0.00 66.70 68.23 2e5n h VAL 72 Cb 0.85 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2e5n h VAL 72 CO -0.51 0.05 0.82 -0.26 0.02 0.00 0.00 177.57 177.69 2e5n h PHE 73 N 0.30 0.25 0.00 1.57 0.04 -0.77 1.10 116.94 119.42 2e5n h PHE 73 Ca 0.66 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.31 2e5n h PHE 73 Cb 1.82 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.88 2e5n h PHE 73 CO -0.00 0.00 -0.63 1.57 -0.60 0.00 0.00 178.31 178.65 2e5n h LYS 74 N 0.13 0.00 0.00 1.51 2.10 -0.45 -2.97 116.57 116.89 2e5n h LYS 74 Ca 0.61 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.20 2e5n h LYS 74 Cb 2.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.43 2e5n h LYS 74 CO -0.13 0.63 -0.30 0.93 -2.00 0.00 0.00 179.45 178.58 2e5n h GLU 75 N 0.00 0.00 -6.45 0.07 5.08 0.12 -3.46 114.58 109.94 2e5n h GLU 75 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 2e5n h GLU 75 Cb 1.15 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.56 2e5n h GLU 75 CO 0.08 0.30 -0.21 1.28 -1.00 0.00 0.00 179.01 179.46 2e5n n LEU 76 N -3.33 -0.93 -3.86 1.33 4.77 -0.85 -5.02 117.00 109.12 2e5n n LEU 76 Ca 0.01 -0.58 -0.28 0.00 -0.03 0.00 0.00 56.01 55.13 2e5n n LEU 76 Cb 0.53 -0.89 -0.17 0.00 -2.33 0.00 0.00 43.42 40.57 2e5n n LEU 76 CO 0.36 -3.83 -0.41 -1.10 -1.33 0.00 0.00 177.39 171.07 2e5n s GLN 77 N -4.17 1.26 0.50 3.23 -1.52 -1.26 -4.99 119.66 112.71 2e5n s GLN 77 Ca 0.50 -0.45 0.34 0.00 -1.95 0.00 0.00 55.36 53.80 2e5n s GLN 77 Cb -0.10 -1.93 1.81 0.00 -0.22 0.00 0.00 33.01 32.57 2e5n s GLN 77 CO 0.44 -0.45 2.04 0.00 -0.25 0.00 0.00 175.29 177.07 2e5n h ARG 78 N 8.15 0.00 -0.76 2.91 3.08 -1.96 -0.77 114.38 125.03 2e5n h ARG 78 Ca -0.23 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.40 2e5n h ARG 78 Cb 1.11 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.92 2e5n h ARG 78 CO 0.38 0.00 0.35 -3.47 -1.07 0.00 0.00 179.97 176.16 2e5n n ASP 79 N -2.71 3.89 -4.69 7.04 -0.08 -1.26 -5.00 116.55 113.74 2e5n n ASP 79 Ca -0.02 -3.71 -0.42 0.00 -1.51 0.00 0.00 54.79 49.13 2e5n n ASP 79 Cb 0.07 -0.76 -0.03 0.00 2.34 0.00 0.00 41.12 42.74 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2e5n s TRP 80 N -3.37 2.94 -1.97 -0.67 -0.11 -0.30 -4.88 118.94 110.57 2e5n s TRP 80 Ca 0.53 0.90 0.16 0.00 1.22 0.00 0.00 56.10 58.91 2e5n s TRP 80 Cb 0.46 -3.62 0.92 0.00 -1.50 0.00 0.00 33.47 29.73 2e5n s TRP 80 CO 0.05 -2.22 1.35 -0.35 -4.62 0.00 0.00 176.95 171.15 2e5n n PRO 81 N 5.25 0.47 0.00 5.86 -0.04 -1.26 -2.26 135.00 143.02 2e5n n PRO 81 Ca 0.13 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2e5n n PRO 81 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.03 -0.93 3.52 0.55 0.00 -1.26 -4.81 105.19 102.24 2e5n n GLY 82 Ca 0.11 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.81 3.21 1.14 1.61 2.02 -0.96 -4.99 117.35 116.57 2e5n s TYR 83 Ca 0.15 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.49 2e5n s TYR 83 Cb 0.18 -2.63 0.26 0.00 -0.40 0.00 0.00 41.96 39.36 2e5n s TYR 83 CO 0.66 -0.46 1.14 -1.12 -1.57 0.00 0.00 175.55 174.20 2e5n s SER 84 N 1.73 1.51 0.60 2.29 0.01 -1.26 -4.33 113.70 114.25 2e5n s SER 84 Ca 0.09 0.64 0.29 0.00 1.31 0.00 0.00 55.95 58.28 2e5n s SER 84 Cb -0.17 -0.91 1.30 0.00 0.21 0.00 0.00 66.02 66.44 2e5n s SER 84 CO 0.11 -3.76 1.69 -0.08 0.41 0.00 0.00 173.24 171.61 2e5n h GLU 85 N -2.33 0.00 0.00 12.44 4.81 -2.01 -1.20 114.58 126.29 2e5n h GLU 85 Ca -0.46 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2e5n h GLU 85 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2e5n h GLU 85 CO 0.38 0.00 -1.07 -0.89 -0.73 0.00 0.00 179.01 176.71 2e5n n ILE 86 N -3.53 1.48 -0.33 2.32 -0.00 -1.26 -4.25 119.36 113.79 2e5n n ILE 86 Ca 0.14 0.07 -0.04 0.00 -0.00 0.00 0.00 62.75 62.92 2e5n n ILE 86 Cb 0.99 -2.25 0.01 0.00 -0.00 0.00 0.00 39.64 38.38 2e5n n ILE 86 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2e5n h ASP 87 N -1.00 -1.49 -0.77 4.38 3.32 -1.69 0.35 116.42 119.52 2e5n h ASP 87 Ca -0.16 0.29 0.15 0.00 0.02 0.00 0.00 57.03 57.33 2e5n h ASP 87 Cb 0.94 0.74 -0.15 0.00 0.22 0.00 0.00 39.33 41.09 2e5n h ASP 87 CO -0.10 -0.29 -0.20 0.03 -1.72 0.00 0.00 179.24 176.96 2e5n h ARG 88 N -0.06 -0.00 0.00 3.56 3.08 -1.44 1.21 114.38 120.73 2e5n h ARG 88 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2e5n h ARG 88 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2e5n h ARG 88 CO -0.89 -0.00 0.00 0.07 -1.07 0.00 0.00 179.97 178.08 2e5n h ARG 89 N -0.00 0.00 0.00 0.04 0.11 -0.76 -2.11 114.38 111.65 2e5n h ARG 89 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 2e5n h ARG 89 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2e5n h ARG 89 CO -0.80 0.00 -0.49 1.03 0.10 0.00 0.00 179.97 179.81 2e5n h SER 90 N 0.00 0.00 0.08 0.08 0.87 0.47 -3.36 113.55 111.70 2e5n h SER 90 Ca 0.00 -0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 2e5n h SER 90 Cb 0.69 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 2e5n h SER 90 CO 0.00 0.01 -1.97 -0.11 -0.53 0.00 0.00 176.83 174.23 2e5n n LEU 91 N -2.81 2.52 0.00 2.23 0.00 0.19 -4.10 117.00 115.03 2e5n n LEU 91 Ca 0.02 0.20 0.21 0.00 0.00 0.00 0.00 56.01 56.45 2e5n n LEU 91 Cb 0.53 -1.05 0.54 0.00 0.00 0.00 0.00 43.42 43.44 2e5n n LEU 91 CO 0.37 0.75 1.19 1.05 0.00 0.00 0.00 177.39 180.75 2e5n h GLU 92 N -0.19 0.00 0.00 1.96 4.11 -1.53 -1.92 114.58 117.01 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 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2e5n h GLU 92 CO -0.02 0.00 0.00 0.45 0.07 0.00 0.00 179.01 179.51 2e5n n SER 93 N -3.29 0.00 -0.14 3.06 2.88 -1.26 -2.85 113.62 112.02 2e5n n SER 93 Ca 0.13 0.72 -0.04 0.00 -1.33 0.00 0.00 58.87 58.36 2e5n n SER 93 Cb 1.05 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 2e5n n SER 93 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2e5n n VAL 94 N -1.94 -0.22 -0.34 2.46 0.31 -0.73 0.10 118.33 117.97 2e5n n VAL 94 Ca 0.00 1.64 0.29 0.00 -0.01 0.00 0.00 64.34 66.26 2e5n n VAL 94 Cb 0.00 -2.11 0.55 0.00 -0.91 0.00 0.00 33.84 31.37 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 0.39 -0.72 7.52 3.38 -1.69 1.92 115.31 126.11 2e5n h LEU 95 Ca 0.05 0.22 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 2e5n h LEU 95 Cb 0.13 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2e5n h LEU 95 CO -0.30 -0.30 -0.60 -1.28 0.09 0.00 0.00 178.44 176.04 2e5n h SER 96 N 0.13 0.15 1.11 -0.43 0.87 0.81 0.78 113.55 116.97 2e5n h SER 96 Ca 0.80 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 61.09 2e5n h SER 96 Cb 2.05 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.94 2e5n h SER 96 CO -0.68 0.72 -0.88 0.03 -0.53 0.00 0.00 176.83 175.49 2e5n h ARG 97 N 0.10 0.00 0.00 2.24 2.47 0.53 -3.39 114.38 116.34 2e5n h ARG 97 Ca -0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2e5n h ARG 97 Cb 1.09 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 2e5n h ARG 97 CO 0.09 0.88 -0.81 1.63 0.56 0.00 0.00 179.97 182.32 2e5n n LYS 98 N -3.33 0.49 -1.97 0.04 4.76 0.15 -4.77 118.16 113.53 2e5n n LYS 98 Ca 0.00 0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 55.58 2e5n n LYS 98 Cb 0.89 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 32.41 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 -8.07 3.20 0.00 -0.35 1.43 0.27 -5.07 118.68 110.09 2e5n s LEU 99 Ca -0.21 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2e5n s LEU 99 Cb 0.04 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2e5n s LEU 99 CO 0.32 -2.71 0.19 -0.46 0.23 0.00 0.00 176.35 173.93