#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 4.72 -0.30 1.61 0.15 -1.26 -5.13 113.70 113.49 2e5n s SER 2 Ca 0.00 -0.81 -0.12 0.00 0.70 0.00 0.00 55.95 55.72 2e5n s SER 2 Cb 0.00 -0.67 0.17 0.00 -1.71 0.00 0.00 66.02 63.81 2e5n s SER 2 CO 0.00 -0.40 0.95 -0.94 1.20 0.00 0.00 173.24 174.05 2e5n s SER 3 N -3.90 -0.67 0.00 5.45 1.04 -1.26 -5.15 113.70 109.21 2e5n s SER 3 Ca 0.40 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2e5n s SER 3 Cb -0.01 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.76 2e5n s SER 3 CO 0.24 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2e5n n GLY 4 N 5.24 0.48 2.51 7.32 0.00 -1.26 -4.98 105.19 114.50 2e5n n GLY 4 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.84 -3.93 1.61 2.88 -1.26 -5.05 113.62 105.03 2e5n n SER 5 Ca 0.00 -0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 57.07 2e5n n SER 5 Cb 0.00 -3.18 -0.13 0.00 -0.75 0.00 0.00 64.21 60.15 2e5n n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e5n s SER 6 N -3.60 0.31 0.00 -3.46 0.01 -1.26 -5.02 113.70 100.69 2e5n s SER 6 Ca 0.11 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2e5n s SER 6 Cb -0.05 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2e5n s SER 6 CO 0.43 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2e5n n GLY 7 N 2.67 0.66 3.83 3.44 0.00 -1.26 -5.15 105.19 109.38 2e5n n GLY 7 Ca -0.15 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 2e5n n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e5n s THR 8 N 0.00 1.94 0.07 2.61 2.01 -1.26 -5.01 115.64 116.01 2e5n s THR 8 Ca 0.00 -1.59 -0.30 0.00 0.31 0.00 0.00 61.69 60.11 2e5n s THR 8 Cb 0.00 -2.53 -0.18 0.00 0.01 0.00 0.00 72.50 69.80 2e5n s THR 8 CO 0.00 0.00 1.64 0.40 -0.69 0.00 0.00 174.62 175.97 2e5n h ILE 9 N 1.06 0.51 -0.95 1.82 1.08 -1.94 -2.56 117.51 116.53 2e5n h ILE 9 Ca -0.40 -0.02 0.19 0.00 -0.39 0.00 0.00 64.86 64.25 2e5n h ILE 9 Cb 1.28 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 35.47 2e5n h ILE 9 CO 0.63 0.00 0.61 0.77 -0.69 0.00 0.00 178.15 179.47 2e5n h SER 10 N -0.68 0.57 -0.10 1.72 4.64 -1.92 0.26 113.55 118.05 2e5n h SER 10 Ca -0.07 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2e5n h SER 10 Cb 0.52 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2e5n h SER 10 CO 0.11 0.22 -0.06 1.56 -0.87 0.00 0.00 176.83 177.79 2e5n h GLN 11 N 0.57 0.37 -7.16 4.77 1.08 -1.87 -3.44 115.11 109.43 2e5n h GLN 11 Ca 0.51 -0.08 -0.51 0.00 -1.45 0.00 0.00 58.65 57.12 2e5n h GLN 11 Cb 1.04 -0.05 0.11 0.00 -0.05 0.00 0.00 27.48 28.53 2e5n h GLN 11 CO -0.25 0.45 0.40 1.03 -0.95 0.00 0.00 178.83 179.51 2e5n s ARG 12 N -4.85 2.82 0.24 1.46 1.81 0.93 -4.98 118.95 116.38 2e5n s ARG 12 Ca -0.06 1.55 -0.30 0.00 -1.72 0.00 0.00 55.73 55.20 2e5n s ARG 12 Cb 0.15 -1.94 -0.09 0.00 -0.45 0.00 0.00 34.95 32.62 2e5n s ARG 12 CO 0.75 -1.26 1.28 -1.25 -0.68 0.00 0.00 175.30 174.13 2e5n s PRO 13 N -3.80 4.42 0.09 3.54 0.04 -1.26 -4.87 135.00 133.16 2e5n s PRO 13 Ca 0.71 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.62 2e5n s PRO 13 Cb -0.24 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2e5n s PRO 13 CO 0.38 -0.17 1.31 -0.92 0.04 0.00 0.00 177.00 177.64 2e5n h TYR 14 N 4.74 -1.10 -0.69 0.56 3.20 -1.93 0.51 116.97 122.26 2e5n h TYR 14 Ca -0.46 0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.59 2e5n h TYR 14 Cb 1.22 0.55 -0.11 0.00 1.54 0.00 0.00 36.73 39.93 2e5n h TYR 14 CO 0.60 -0.22 -0.27 -2.13 -1.64 0.00 0.00 178.16 174.50 2e5n n ARG 15 N -4.30 -0.17 0.11 1.82 0.63 -1.26 0.82 116.66 114.32 2e5n n ARG 15 Ca 0.01 1.06 -0.13 0.00 -0.92 0.00 0.00 57.85 57.87 2e5n n ARG 15 Cb 0.15 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.44 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 -0.68 -0.57 6.15 5.19 -1.30 0.33 116.42 125.54 2e5n h ASP 16 Ca 0.23 0.08 0.17 0.00 -0.62 0.00 0.00 57.03 56.89 2e5n h ASP 16 Cb 0.41 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2e5n h ASP 16 CO -0.68 -0.33 0.45 0.03 -3.12 0.00 0.00 179.24 175.59 2e5n h ARG 17 N -0.45 0.00 0.08 3.56 3.08 0.10 0.27 114.38 121.03 2e5n h ARG 17 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2e5n h ARG 17 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2e5n h ARG 17 CO -0.14 0.00 -0.04 0.28 -1.07 0.00 0.00 179.97 179.01 2e5n h VAL 18 N 0.00 0.00 -0.64 2.04 2.07 0.40 -3.21 116.25 116.90 2e5n h VAL 18 Ca 0.27 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.29 2e5n h VAL 18 Cb 1.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2e5n h VAL 18 CO -0.00 0.00 0.26 0.16 0.02 0.00 0.00 177.57 178.01 2e5n h ILE 19 N -0.70 0.78 -0.61 4.57 3.07 -0.69 0.90 117.51 124.83 2e5n h ILE 19 Ca -0.01 -0.16 0.18 0.00 1.55 0.00 0.00 64.86 66.42 2e5n h ILE 19 Cb 0.08 0.28 -0.02 0.00 -0.27 0.00 0.00 36.82 36.89 2e5n h ILE 19 CO 0.02 0.08 0.45 0.45 -1.05 0.00 0.00 178.15 178.10 2e5n h HIS 20 N 0.46 0.00 0.01 0.16 3.86 -0.62 0.22 115.15 119.24 2e5n h HIS 20 Ca 0.32 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.46 2e5n h HIS 20 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2e5n h HIS 20 CO -0.15 0.00 -0.41 -0.07 0.86 0.00 0.00 177.93 178.16 2e5n h LEU 21 N 0.00 0.04 -2.07 2.43 3.38 -0.88 -3.33 115.31 114.88 2e5n h LEU 21 Ca 0.29 -0.87 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 2e5n h LEU 21 Cb 1.19 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2e5n h LEU 21 CO -0.00 1.17 -0.02 -0.07 0.09 0.00 0.00 178.44 179.60 2e5n h LEU 22 N -0.95 0.00 0.04 1.67 3.38 -0.46 -3.10 115.31 115.90 2e5n h LEU 22 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2e5n h LEU 22 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2e5n h LEU 22 CO -0.04 0.02 -0.20 0.00 0.09 0.00 0.00 178.44 178.30 2e5n h ALA 23 N 1.98 -0.72 -0.89 1.53 0.00 -0.70 -2.56 119.26 117.90 2e5n h ALA 23 Ca -0.00 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.03 2e5n h ALA 23 Cb 0.04 0.63 -0.16 0.00 0.00 0.00 0.00 17.79 18.29 2e5n h ALA 23 CO 0.00 -0.77 -0.28 -0.07 0.00 0.00 0.00 179.25 178.13 2e5n h LEU 24 N -0.28 -1.03 -8.00 0.00 3.38 -1.69 -3.44 115.31 104.24 2e5n h LEU 24 Ca -0.00 0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.31 2e5n h LEU 24 Cb 0.29 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2e5n h LEU 24 CO -0.11 -0.30 0.23 -1.59 0.09 0.00 0.00 178.44 176.76 2e5n s LYS 25 N -6.15 1.80 0.20 1.13 -2.85 -0.96 -5.06 119.74 107.84 2e5n s LYS 25 Ca -0.15 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 2e5n s LYS 25 Cb 0.23 0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 36.52 2e5n s LYS 25 CO 0.75 -0.82 1.30 0.00 0.10 0.00 0.00 175.35 176.67 2e5n s ALA 26 N -3.89 3.52 0.14 0.59 0.00 -1.25 -4.14 121.76 116.72 2e5n s ALA 26 Ca 0.11 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.25 2e5n s ALA 26 Cb -0.06 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2e5n s ALA 26 CO 0.07 -0.52 -0.19 0.71 0.00 0.00 0.00 175.76 175.83 2e5n s TYR 27 N 0.11 1.78 0.10 0.00 1.51 -0.56 -4.87 117.35 115.41 2e5n s TYR 27 Ca 0.56 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 2e5n s TYR 27 Cb -0.36 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 2e5n s TYR 27 CO 0.38 0.27 0.32 0.15 -1.11 0.00 0.00 175.55 175.56 2e5n s LYS 28 N -2.43 3.59 0.16 -0.62 1.02 -1.26 0.23 119.74 120.43 2e5n s LYS 28 Ca 0.12 -0.14 -0.14 0.00 0.02 0.00 0.00 55.97 55.83 2e5n s LYS 28 Cb -0.07 -2.94 0.14 0.00 -0.52 0.00 0.00 37.83 34.44 2e5n s LYS 28 CO 0.05 0.54 1.14 1.17 -0.92 0.00 0.00 175.35 177.33 2e5n n LYS 29 N 0.38 -0.20 0.01 1.68 3.00 -1.26 0.70 118.16 122.47 2e5n n LYS 29 Ca -0.05 1.13 -0.13 0.00 -0.00 0.00 0.00 58.31 59.26 2e5n n LYS 29 Cb 0.52 -1.68 -0.10 0.00 0.00 0.00 0.00 35.03 33.78 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 -0.05 0.32 1.64 0.13 -1.96 -3.18 132.00 128.91 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 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2e5n h PRO 30 CO -0.73 0.41 -0.31 1.49 -0.23 0.00 0.00 178.00 178.64 2e5n h GLU 31 N -0.54 -0.61 -0.89 0.86 4.81 -1.23 -2.39 114.58 114.60 2e5n h GLU 31 Ca -0.01 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 59.56 2e5n h GLU 31 Cb 0.49 0.14 -0.16 0.00 0.63 0.00 0.00 28.75 29.84 2e5n h GLU 31 CO 0.01 -0.40 0.18 -0.11 -0.73 0.00 0.00 179.01 177.95 2e5n n LEU 32 N -4.26 0.04 0.38 1.64 0.00 0.22 0.12 117.00 115.13 2e5n n LEU 32 Ca -0.08 1.50 -0.18 0.00 0.00 0.00 0.00 56.01 57.25 2e5n n LEU 32 Cb 0.29 -0.61 -0.09 0.00 0.00 0.00 0.00 43.42 43.01 2e5n n LEU 32 CO 0.17 -1.57 0.61 -0.07 0.00 0.00 0.00 177.39 176.52 2e5n h LEU 33 N 0.00 -0.95 -0.66 -1.96 3.38 -1.42 -2.58 115.31 111.11 2e5n h LEU 33 Ca 0.61 0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.90 2e5n h LEU 33 Cb 1.42 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 42.33 2e5n h LEU 33 CO -0.78 -0.62 0.36 0.00 0.09 0.00 0.00 178.44 177.50 2e5n n ALA 34 N -2.59 0.68 -0.03 1.53 0.00 0.12 0.21 120.51 120.43 2e5n n ALA 34 Ca -0.14 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2e5n n ALA 34 Cb 0.42 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 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 0.08 0.28 0.00 2.47 -1.40 -2.42 114.38 113.39 2e5n h ARG 35 Ca 0.55 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.21 2e5n h ARG 35 Cb 1.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2e5n h ARG 35 CO -0.48 0.60 -0.14 -0.07 0.56 0.00 0.00 179.97 180.45 2e5n h LEU 36 N -0.44 -0.32 -1.16 3.04 3.38 0.27 -3.13 115.31 116.95 2e5n h LEU 36 Ca 0.00 -0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.00 2e5n h LEU 36 Cb 0.60 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 2e5n h LEU 36 CO 0.01 0.07 0.62 1.56 0.09 0.00 0.00 178.44 180.79 2e5n h GLN 37 N -0.77 0.57 -0.58 1.13 1.08 -0.16 0.14 115.11 116.50 2e5n h GLN 37 Ca -0.04 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.25 2e5n h GLN 37 Cb 0.51 -0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 27.71 2e5n h GLN 37 CO 0.06 0.37 -0.02 0.87 -0.95 0.00 0.00 178.83 179.17 2e5n h LYS 38 N 0.58 0.10 0.00 1.46 1.57 -1.37 0.17 116.57 119.07 2e5n h LYS 38 Ca 0.59 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2e5n h LYS 38 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2e5n h LYS 38 CO -0.36 0.06 -0.45 -0.44 -0.57 0.00 0.00 179.45 177.70 2e5n h ASP 39 N 0.10 0.00 0.00 0.86 3.32 -1.13 -3.49 116.42 116.09 2e5n h ASP 39 Ca 0.30 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2e5n h ASP 39 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2e5n h ASP 39 CO -0.51 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 177.62 2e5n n GLY 40 N 1.15 3.40 3.07 2.75 0.00 0.30 -4.96 105.19 110.91 2e5n n GLY 40 Ca 0.02 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 1.26 -0.03 1.61 1.01 -1.26 -4.62 120.40 118.37 2e5n s VAL 41 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 2e5n s VAL 41 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2e5n s VAL 41 CO 0.00 0.38 0.69 0.20 0.00 0.00 0.00 175.10 176.37 2e5n s ASN 42 N 0.40 7.03 0.21 3.32 0.01 -1.26 -4.91 114.94 119.74 2e5n s ASN 42 Ca -0.10 1.23 -0.18 0.00 -0.71 0.00 0.00 52.86 53.10 2e5n s ASN 42 Cb -0.14 -2.41 0.21 0.00 0.41 0.00 0.00 41.25 39.32 2e5n s ASN 42 CO 0.03 -0.05 1.58 -0.61 -1.51 0.00 0.00 177.10 176.54 2e5n h GLN 43 N 6.32 -0.07 -1.14 -0.60 4.15 -2.00 0.81 115.11 122.59 2e5n h GLN 43 Ca -0.42 0.01 0.32 0.00 0.77 0.00 0.00 58.65 59.32 2e5n h GLN 43 Cb 1.20 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.81 2e5n h GLN 43 CO 0.73 -0.05 0.75 1.57 -1.93 0.00 0.00 178.83 179.90 2e5n h LYS 44 N -0.08 0.25 0.16 1.69 2.10 -1.99 0.56 116.57 119.27 2e5n h LYS 44 Ca 0.30 -0.02 -0.29 0.00 -2.00 0.00 0.00 60.65 58.65 2e5n h LYS 44 Cb 0.58 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2e5n h LYS 44 CO -0.82 0.17 -1.42 -0.44 -2.00 0.00 0.00 179.45 174.93 2e5n h ASP 45 N 0.26 0.53 0.22 7.07 3.32 0.05 -3.10 116.42 124.76 2e5n h ASP 45 Ca 0.65 -0.90 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2e5n h ASP 45 Cb 1.90 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 2e5n h ASP 45 CO -0.29 1.65 -0.11 0.50 -1.72 0.00 0.00 179.24 179.27 2e5n h LYS 46 N -0.14 0.00 0.13 3.56 3.11 0.19 -0.49 116.57 122.93 2e5n h LYS 46 Ca -0.28 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.28 2e5n h LYS 46 Cb 1.89 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.13 2e5n h LYS 46 CO 0.14 0.11 -1.26 -0.97 -2.81 0.00 0.00 179.45 174.65 2e5n h ASN 47 N 0.00 0.43 -0.49 4.20 -0.73 -0.10 -3.24 115.58 115.66 2e5n h ASN 47 Ca -0.00 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 57.70 2e5n h ASN 47 Cb 0.24 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2e5n h ASN 47 CO 0.01 1.37 0.00 -1.20 -0.37 0.00 0.00 177.43 177.24 2e5n n SER 48 N -3.53 3.09 0.13 1.15 7.64 -0.86 -4.45 113.62 116.79 2e5n n SER 48 Ca -0.09 -2.15 -0.05 0.00 1.01 0.00 0.00 58.87 57.59 2e5n n SER 48 Cb 1.03 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 2e5n n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2e5n h LEU 49 N 2.94 -0.30 -1.19 -3.43 6.46 -1.13 -2.72 115.31 115.95 2e5n h LEU 49 Ca 0.00 0.01 0.40 0.00 -0.12 0.00 0.00 57.88 58.17 2e5n h LEU 49 Cb 0.88 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 40.78 2e5n h LEU 49 CO 0.08 -0.16 0.78 0.61 -0.62 0.00 0.00 178.44 179.13 2e5n n GLY 50 N -0.28 -0.70 0.07 3.75 0.00 -1.26 0.12 105.19 106.89 2e5n n GLY 50 Ca -0.04 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 2e5n n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5n h ALA 51 N 1.21 -0.05 -0.65 4.61 0.00 -1.84 -3.20 119.26 119.34 2e5n h ALA 51 Ca 0.72 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.43 2e5n h ALA 51 Cb 2.40 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 20.15 2e5n h ALA 51 CO -0.32 -0.24 0.33 0.82 0.00 0.00 0.00 179.25 179.84 2e5n h ILE 52 N -0.62 0.89 -0.96 0.00 2.04 0.13 -0.85 117.51 118.15 2e5n h ILE 52 Ca -0.00 -0.20 0.20 0.00 1.00 0.00 0.00 64.86 65.85 2e5n h ILE 52 Cb 0.56 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2e5n h ILE 52 CO 0.01 0.11 0.61 -0.07 0.00 0.00 0.00 178.15 178.81 2e5n h LEU 53 N 0.59 0.58 0.00 1.44 3.38 -1.31 0.71 115.31 120.70 2e5n h LEU 53 Ca 0.31 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2e5n h LEU 53 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2e5n h LEU 53 CO -0.23 0.22 -0.36 1.67 0.09 0.00 0.00 178.44 179.83 2e5n n GLN 54 N -4.62 0.19 0.04 1.13 7.27 -0.44 0.14 117.38 121.08 2e5n n GLN 54 Ca 0.21 0.09 0.06 0.00 0.07 0.00 0.00 57.00 57.43 2e5n n GLN 54 Cb 0.64 -1.65 -0.08 0.00 2.41 0.00 0.00 30.24 31.56 2e5n n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2e5n n GLN 55 N -1.94 0.63 0.00 3.69 1.13 0.20 -4.50 117.38 116.58 2e5n n GLN 55 Ca 0.05 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2e5n n GLN 55 Cb 0.40 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.04 2e5n n GLN 55 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2e5n n VAL 56 N -2.64 0.00 -4.64 5.09 0.24 0.16 -5.04 118.33 111.49 2e5n n VAL 56 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 2e5n n VAL 56 Cb 0.70 -0.48 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.84 3.52 -0.06 2.33 0.00 0.38 0.14 121.76 126.23 2e5n s ALA 57 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2e5n s ALA 57 Cb 0.00 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.47 2e5n s ALA 57 CO 0.00 -0.16 -0.13 -0.80 0.00 0.00 0.00 175.76 174.67 2e5n s ASN 58 N -3.75 1.82 -0.00 0.00 0.01 0.15 -3.69 114.94 109.48 2e5n s ASN 58 Ca 0.16 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.70 2e5n s ASN 58 Cb 0.03 -0.78 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 2e5n s ASN 58 CO 0.09 0.05 1.03 -0.22 -1.51 0.00 0.00 177.10 176.55 2e5n s LEU 59 N 0.55 4.35 -0.85 0.60 0.20 -1.26 -0.28 118.68 122.00 2e5n s LEU 59 Ca -0.13 1.72 -0.07 0.00 0.69 0.00 0.00 54.13 56.34 2e5n s LEU 59 Cb -0.15 -3.57 0.22 0.00 -0.43 0.00 0.00 46.19 42.26 2e5n s LEU 59 CO 0.04 -0.34 0.75 0.21 -0.29 0.00 0.00 176.35 176.72 2e5n s ASN 60 N 1.05 6.25 0.33 3.68 3.84 -0.33 -4.91 114.94 124.85 2e5n s ASN 60 Ca 0.53 -3.20 0.26 0.00 0.21 0.00 0.00 52.86 50.66 2e5n s ASN 60 Cb -0.22 -2.03 1.11 0.00 -0.55 0.00 0.00 41.25 39.55 2e5n s ASN 60 CO 0.27 -0.36 1.12 -0.24 -2.79 0.00 0.00 177.10 175.10 2e5n n SER 61 N 3.14 0.12 -0.15 -4.21 2.88 -1.26 0.33 113.62 114.47 2e5n n SER 61 Ca 0.16 0.94 -0.07 0.00 -1.33 0.00 0.00 58.87 58.57 2e5n n SER 61 Cb 0.40 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.12 -0.12 -1.46 1.63 -1.95 -2.96 116.57 111.59 2e5n h LYS 62 Ca 0.64 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.45 2e5n h LYS 62 Cb 2.17 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.83 2e5n h LYS 62 CO -0.27 -0.08 0.00 -3.47 -3.45 0.00 0.00 179.45 172.18 2e5n n ASP 63 N -4.24 2.83 -3.29 4.20 2.03 0.37 -4.97 116.55 113.48 2e5n n ASP 63 Ca -0.01 -2.78 -0.22 0.00 0.52 0.00 0.00 54.79 52.31 2e5n n ASP 63 Cb 0.17 -0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.79 -1.41 -4.61 -2.67 4.77 0.15 -4.93 117.00 107.51 2e5n n LEU 64 Ca 0.15 -0.33 -0.34 0.00 -0.03 0.00 0.00 56.01 55.45 2e5n n LEU 64 Cb 0.63 -2.05 -0.11 0.00 -2.33 0.00 0.00 43.42 39.57 2e5n n LEU 64 CO 0.06 0.12 -0.34 -0.94 -1.33 0.00 0.00 177.39 174.97 2e5n s SER 65 N -2.65 4.95 -0.20 -1.43 1.04 -1.22 -4.59 113.70 109.60 2e5n s SER 65 Ca 0.36 0.03 -0.22 0.00 0.48 0.00 0.00 55.95 56.60 2e5n s SER 65 Cb -0.19 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2e5n s SER 65 CO 0.45 0.32 0.68 -0.31 0.98 0.00 0.00 173.24 175.36 2e5n s TYR 66 N -0.55 3.38 -0.21 5.02 2.02 0.14 -1.19 117.35 125.95 2e5n s TYR 66 Ca 0.09 1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 57.73 2e5n s TYR 66 Cb -0.12 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 2e5n s TYR 66 CO 0.02 -0.21 0.04 0.95 -1.57 0.00 0.00 175.55 174.78 2e5n s THR 67 N 2.05 4.28 0.08 -0.71 -4.23 0.62 -1.50 115.64 116.22 2e5n s THR 67 Ca 0.31 -0.20 -0.34 0.00 -1.18 0.00 0.00 61.69 60.28 2e5n s THR 67 Cb -0.16 -2.96 -0.13 0.00 1.34 0.00 0.00 72.50 70.60 2e5n s THR 67 CO 0.10 0.40 1.69 -0.11 -0.54 0.00 0.00 174.62 176.17 2e5n n LEU 68 N 4.29 3.29 0.00 4.79 0.00 -1.26 0.34 117.00 128.45 2e5n n LEU 68 Ca -0.17 1.04 -0.14 0.00 0.00 0.00 0.00 56.01 56.75 2e5n n LEU 68 Cb 0.52 -1.42 0.13 0.00 0.00 0.00 0.00 43.42 42.65 2e5n n LEU 68 CO 0.32 -0.18 0.16 0.29 0.00 0.00 0.00 177.39 177.98 2e5n n LYS 69 N 4.61 -1.29 -0.08 1.96 5.02 0.12 -4.85 118.16 123.66 2e5n n LYS 69 Ca 0.19 -0.66 -0.22 0.00 -2.02 0.00 0.00 58.31 55.61 2e5n n LYS 69 Cb 0.30 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.87 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2e5n n ASP 70 N -1.38 2.02 -0.12 4.39 8.00 -1.26 -4.27 116.55 123.93 2e5n n ASP 70 Ca 0.06 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 2e5n n ASP 70 Cb 0.27 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 40.63 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2e5n h TYR 71 N -0.27 0.59 -1.03 1.24 -0.00 -1.94 -2.79 116.97 112.77 2e5n h TYR 71 Ca -0.51 -0.06 0.27 0.00 -0.00 0.00 0.00 58.73 58.43 2e5n h TYR 71 Cb 1.82 -0.17 -0.11 0.00 -0.00 0.00 0.00 36.73 38.27 2e5n h TYR 71 CO 0.04 0.57 0.64 0.28 -0.00 0.00 0.00 178.16 179.69 2e5n h VAL 72 N 0.44 0.50 -1.16 -0.90 2.07 -1.87 0.99 116.25 116.32 2e5n h VAL 72 Ca 0.12 -0.16 0.38 0.00 0.82 0.00 0.00 66.70 67.85 2e5n h VAL 72 Cb 0.26 -0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 29.89 2e5n h VAL 72 CO -0.00 0.09 0.71 -0.26 0.02 0.00 0.00 177.57 178.13 2e5n h PHE 73 N 0.47 0.69 -0.11 1.57 0.04 -1.67 1.50 116.94 119.43 2e5n h PHE 73 Ca 0.64 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 61.32 2e5n h PHE 73 Cb 1.42 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 2e5n h PHE 73 CO -0.00 -0.19 -0.46 1.57 -0.60 0.00 0.00 178.31 178.63 2e5n h LYS 74 N 0.19 0.27 -0.01 1.51 2.10 -0.97 -2.88 116.57 116.78 2e5n h LYS 74 Ca 0.77 -0.14 -0.10 0.00 -2.00 0.00 0.00 60.65 59.17 2e5n h LYS 74 Cb 2.14 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.46 2e5n h LYS 74 CO -0.49 0.68 -0.46 0.93 -2.00 0.00 0.00 179.45 178.11 2e5n h GLU 75 N 0.22 0.03 -6.08 0.07 5.08 0.20 -3.45 114.58 110.65 2e5n h GLU 75 Ca 0.01 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2e5n h GLU 75 Cb 0.90 0.00 0.24 0.00 0.50 0.00 0.00 28.75 30.39 2e5n h GLU 75 CO 0.07 0.49 -1.90 1.28 -1.00 0.00 0.00 179.01 177.95 2e5n n LEU 76 N -3.99 -4.93 -4.04 1.33 4.77 -0.73 -4.94 117.00 104.48 2e5n n LEU 76 Ca -0.02 0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 2e5n n LEU 76 Cb 0.49 -0.75 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 2e5n n LEU 76 CO 0.40 -5.14 -0.31 -1.10 -1.33 0.00 0.00 177.39 169.91 2e5n s GLN 77 N -2.17 1.57 0.63 3.23 -0.21 -1.26 -4.95 119.66 116.50 2e5n s GLN 77 Ca 0.41 -1.86 0.21 0.00 0.02 0.00 0.00 55.36 54.15 2e5n s GLN 77 Cb -0.13 -3.26 0.98 0.00 1.00 0.00 0.00 33.01 31.61 2e5n s GLN 77 CO 0.78 -0.95 1.50 0.00 -2.12 0.00 0.00 175.29 174.51 2e5n h ARG 78 N 7.68 0.00 -0.91 2.91 3.08 -1.96 1.56 114.38 126.74 2e5n h ARG 78 Ca -0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 2e5n h ARG 78 Cb 1.02 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.89 2e5n h ARG 78 CO 0.54 0.00 0.39 -0.25 -1.07 0.00 0.00 179.97 179.58 2e5n n ASP 79 N -3.10 3.97 -4.63 7.04 9.92 -1.26 -4.94 116.55 123.54 2e5n n ASP 79 Ca 0.09 -3.16 -0.43 0.00 -0.53 0.00 0.00 54.79 50.76 2e5n n ASP 79 Cb 0.95 -0.74 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2e5n s TRP 80 N -2.62 2.07 -1.88 1.24 -0.11 0.53 -4.86 118.94 113.32 2e5n s TRP 80 Ca 0.46 0.50 0.15 0.00 1.22 0.00 0.00 56.10 58.44 2e5n s TRP 80 Cb 0.38 -3.97 0.89 0.00 -1.50 0.00 0.00 33.47 29.27 2e5n s TRP 80 CO 0.10 -3.08 1.36 -0.35 -4.62 0.00 0.00 176.95 170.36 2e5n n PRO 81 N 7.61 0.43 -0.48 5.86 -0.04 -1.26 -2.71 135.00 144.40 2e5n n PRO 81 Ca 0.19 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 2e5n n PRO 81 Cb 0.45 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.65 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 2.10 3.09 0.55 0.00 -1.26 -4.79 105.19 104.85 2e5n n GLY 82 Ca 0.11 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.91 3.07 1.04 1.61 2.02 -1.10 -5.00 117.35 117.08 2e5n s TYR 83 Ca 0.34 -2.05 -0.12 0.00 -0.37 0.00 0.00 57.07 54.87 2e5n s TYR 83 Cb 0.24 -1.93 0.21 0.00 -0.40 0.00 0.00 41.96 40.08 2e5n s TYR 83 CO 0.13 -0.85 1.07 -1.12 -1.57 0.00 0.00 175.55 173.22 2e5n s SER 84 N 1.18 2.14 0.61 2.29 0.01 -1.26 -4.31 113.70 114.36 2e5n s SER 84 Ca -0.03 1.44 0.27 0.00 1.31 0.00 0.00 55.95 58.94 2e5n s SER 84 Cb -0.17 -2.14 1.03 0.00 0.21 0.00 0.00 66.02 64.95 2e5n s SER 84 CO -0.08 -3.47 1.43 -0.08 0.41 0.00 0.00 173.24 171.45 2e5n h GLU 85 N -2.12 0.00 0.00 12.44 4.81 -2.00 -0.55 114.58 127.16 2e5n h GLU 85 Ca -0.56 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 2e5n h GLU 85 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2e5n h GLU 85 CO 0.53 0.00 -0.82 -0.89 -0.73 0.00 0.00 179.01 177.10 2e5n n ILE 86 N -3.31 1.46 -0.38 2.32 2.08 -1.26 -4.19 119.36 116.07 2e5n n ILE 86 Ca 0.19 0.14 -0.02 0.00 0.56 0.00 0.00 62.75 63.62 2e5n n ILE 86 Cb 1.32 -2.31 0.03 0.00 -0.75 0.00 0.00 39.64 37.93 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2e5n n ASP 87 N -4.54 -0.67 -0.21 4.38 9.92 -0.31 -0.17 116.55 124.96 2e5n n ASP 87 Ca -0.14 1.73 -0.06 0.00 -0.53 0.00 0.00 54.79 55.79 2e5n n ASP 87 Cb 0.41 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2e5n h ARG 88 N 0.00 -0.18 0.00 -1.24 3.08 -1.49 0.83 114.38 115.37 2e5n h ARG 88 Ca 0.33 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 2e5n h ARG 88 Cb 0.58 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2e5n h ARG 88 CO -0.98 -0.12 -0.08 0.07 -1.07 0.00 0.00 179.97 177.79 2e5n h ARG 89 N -0.19 0.00 0.00 0.04 0.11 -0.84 -0.60 114.38 112.90 2e5n h ARG 89 Ca 0.21 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.26 2e5n h ARG 89 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.69 0.08 -0.43 0.77 0.10 0.00 0.00 179.97 179.80 2e5n h SER 90 N 0.00 0.00 0.08 0.08 0.02 0.37 -3.35 113.55 110.75 2e5n h SER 90 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2e5n h SER 90 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2e5n h SER 90 CO 0.01 0.15 -1.94 -0.11 -1.14 0.00 0.00 176.83 173.79 2e5n n LEU 91 N -3.02 2.49 0.14 5.07 0.00 0.21 -4.07 117.00 117.83 2e5n n LEU 91 Ca 0.02 0.21 0.16 0.00 0.00 0.00 0.00 56.01 56.40 2e5n n LEU 91 Cb 0.60 -1.05 0.52 0.00 0.00 0.00 0.00 43.42 43.50 2e5n n LEU 91 CO 0.37 0.73 1.14 1.05 0.00 0.00 0.00 177.39 180.69 2e5n h GLU 92 N -0.22 0.00 0.00 1.96 4.11 -1.26 -0.90 114.58 118.27 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 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2e5n h GLU 92 CO -0.03 0.00 -0.03 1.03 0.07 0.00 0.00 179.01 180.05 2e5n h SER 93 N 0.00 0.00 -1.00 3.06 0.87 -1.71 -3.22 113.55 111.56 2e5n h SER 93 Ca 0.17 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.99 2e5n h SER 93 Cb 1.62 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 63.40 2e5n h SER 93 CO -0.00 0.51 -0.05 0.52 -0.53 0.00 0.00 176.83 177.28 2e5n n VAL 94 N -4.73 -0.42 -0.08 2.23 0.31 -0.37 0.20 118.33 115.47 2e5n n VAL 94 Ca -0.00 2.21 0.01 0.00 -0.01 0.00 0.00 64.34 66.55 2e5n n VAL 94 Cb 0.02 -3.19 0.32 0.00 -0.91 0.00 0.00 33.84 30.07 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 0.64 -0.29 7.52 3.38 -1.63 0.36 115.31 125.28 2e5n h LEU 95 Ca 0.57 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.31 2e5n h LEU 95 Cb 1.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2e5n h LEU 95 CO -0.96 0.52 -0.58 -1.28 0.09 0.00 0.00 178.44 176.23 2e5n h SER 96 N 0.72 0.96 0.03 -0.43 0.87 0.22 -1.22 113.55 114.70 2e5n h SER 96 Ca 0.19 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2e5n h SER 96 Cb 0.03 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2e5n h SER 96 CO -0.03 1.33 -0.01 0.03 -0.53 0.00 0.00 176.83 177.62 2e5n h ARG 97 N 0.65 -0.03 0.18 2.24 3.08 -0.41 -3.36 114.38 116.72 2e5n h ARG 97 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2e5n h ARG 97 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2e5n h ARG 97 CO 0.13 0.39 -0.08 0.87 -1.07 0.00 0.00 179.97 180.20 2e5n h LYS 98 N -0.46 -0.23 -5.45 0.04 1.79 -1.01 -3.39 116.57 107.87 2e5n h LYS 98 Ca -0.00 0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.30 2e5n h LYS 98 Cb 0.44 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2e5n h LYS 98 CO 0.01 -0.15 0.67 -0.51 -1.08 0.00 0.00 179.45 178.38 2e5n s LEU 99 N -5.23 3.08 0.00 2.94 1.43 -0.46 -5.09 118.68 115.35 2e5n s LEU 99 Ca -0.03 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2e5n s LEU 99 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 2e5n s LEU 99 CO 0.10 -3.50 0.47 -0.46 0.23 0.00 0.00 176.35 173.19