#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2n s SER 2 N 0.00 4.91 0.64 1.61 0.15 -1.26 -4.91 113.70 114.84 1x2n s SER 2 Ca 0.00 1.33 -0.17 0.00 0.70 0.00 0.00 55.95 57.81 1x2n s SER 2 Cb 0.00 -2.51 -0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1x2n s SER 2 CO 0.00 -2.48 0.48 -1.54 1.20 0.00 0.00 173.24 170.90 1x2n n SER 3 N 14.00 -1.28 -4.68 5.45 3.41 -1.26 -4.99 113.62 124.27 1x2n n SER 3 Ca 0.33 0.66 -0.28 0.00 -0.26 0.00 0.00 58.87 59.32 1x2n n SER 3 Cb 0.51 -1.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.21 1x2n n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x2n s GLY 4 N -1.29 1.79 1.10 5.00 0.00 -1.26 -5.12 107.32 107.54 1x2n s GLY 4 Ca 0.66 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.97 1x2n s GLY 4 CO 0.57 -1.26 1.10 -0.45 0.00 0.00 0.00 173.10 173.06 1x2n s SER 5 N -2.71 1.78 0.02 1.64 0.15 -1.26 -5.07 113.70 108.26 1x2n s SER 5 Ca 0.27 0.90 0.06 0.00 0.70 0.00 0.00 55.95 57.88 1x2n s SER 5 Cb -0.10 -1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 62.82 1x2n s SER 5 CO 0.19 -3.62 -0.18 -0.94 1.20 0.00 0.00 173.24 169.89 1x2n s SER 6 N -3.67 2.08 0.00 5.45 1.04 -1.26 -4.87 113.70 112.47 1x2n s SER 6 Ca 0.68 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x2n s SER 6 Cb -0.14 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1x2n s SER 6 CO 0.57 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.54 1x2n n GLY 7 N 2.13 2.83 3.57 7.32 0.00 -1.26 -5.09 105.19 114.69 1x2n n GLY 7 Ca -0.17 -0.70 -0.59 0.00 0.00 0.00 0.00 46.02 44.57 1x2n n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x2n n LYS 8 N 0.00 0.31 -4.06 1.61 4.76 -1.26 -4.96 118.16 114.56 1x2n n LYS 8 Ca 0.00 0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1x2n n LYS 8 Cb 0.00 -1.65 -0.12 0.00 -1.84 0.00 0.00 35.03 31.42 1x2n n LYS 8 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x2n s ASN 9 N 0.82 0.74 -0.21 4.39 2.20 -1.26 -5.15 114.94 116.47 1x2n s ASN 9 Ca 0.92 -0.47 -0.21 0.00 -0.94 0.00 0.00 52.86 52.17 1x2n s ASN 9 Cb -1.23 0.03 0.06 0.00 -2.00 0.00 0.00 41.25 38.10 1x2n s ASN 9 CO 0.60 -0.17 0.59 -0.75 -2.94 0.00 0.00 177.10 174.43 1x2n s LYS 10 N -1.32 0.71 -0.86 3.55 2.47 -1.26 -5.10 119.74 117.93 1x2n s LYS 10 Ca -0.09 0.78 -0.25 0.00 -1.56 0.00 0.00 55.97 54.86 1x2n s LYS 10 Cb -0.09 0.34 0.02 0.00 -1.46 0.00 0.00 37.83 36.65 1x2n s LYS 10 CO 0.00 -0.09 1.50 0.50 0.16 0.00 0.00 175.35 177.41 1x2n s ARG 11 N 0.22 3.20 0.05 4.03 3.52 -1.26 -4.97 118.95 123.74 1x2n s ARG 11 Ca -0.01 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1x2n s ARG 11 Cb -0.04 -4.78 0.01 0.00 -1.56 0.00 0.00 34.95 28.58 1x2n s ARG 11 CO 0.01 -2.39 0.06 0.41 -0.81 0.00 0.00 175.30 172.58 1x2n n GLY 12 N 6.19 1.93 2.99 8.12 0.00 -1.26 -5.14 105.19 118.03 1x2n n GLY 12 Ca 0.21 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1x2n n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x2n s VAL 13 N 0.71 0.38 0.03 1.61 1.01 -1.26 -5.16 120.40 117.72 1x2n s VAL 13 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1x2n s VAL 13 Cb -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1x2n s VAL 13 CO 0.03 -0.19 -0.05 -0.76 0.00 0.00 0.00 175.10 174.14 1x2n s LEU 14 N -0.90 2.22 0.61 3.92 1.43 -1.26 -5.15 118.68 119.55 1x2n s LEU 14 Ca -0.06 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1x2n s LEU 14 Cb -0.06 -0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.12 1x2n s LEU 14 CO -0.00 -0.23 1.12 -2.16 0.23 0.00 0.00 176.35 175.31 1x2n s PRO 15 N -1.35 3.02 0.35 1.29 0.04 -1.26 -4.83 135.00 132.26 1x2n s PRO 15 Ca -0.12 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.47 1x2n s PRO 15 Cb -0.09 -1.97 0.75 0.00 0.04 0.00 0.00 34.50 33.23 1x2n s PRO 15 CO -0.00 -1.09 1.91 -0.22 0.04 0.00 0.00 177.00 177.64 1x2n h LYS 16 N 0.50 0.73 -0.71 4.56 1.63 -2.01 -1.18 116.57 120.09 1x2n h LYS 16 Ca -0.48 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.34 1x2n h LYS 16 Cb 1.25 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 32.66 1x2n h LYS 16 CO 0.55 0.48 0.39 1.25 -3.45 0.00 0.00 179.45 178.68 1x2n h HIS 17 N 0.75 0.72 -0.05 1.91 2.76 -1.98 0.16 115.15 119.43 1x2n h HIS 17 Ca 0.38 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.54 1x2n h HIS 17 Cb 0.46 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1x2n h HIS 17 CO -0.00 0.33 -0.12 0.00 -1.30 0.00 0.00 177.93 176.84 1x2n h ALA 18 N 1.37 0.08 -0.06 5.26 0.00 -1.53 -3.15 119.26 121.24 1x2n h ALA 18 Ca 0.32 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1x2n h ALA 18 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1x2n h ALA 18 CO -0.20 -0.04 0.05 1.79 0.00 0.00 0.00 179.25 180.85 1x2n h THR 19 N -0.36 0.83 1.00 0.00 1.35 -1.00 -2.83 112.91 111.90 1x2n h THR 19 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1x2n h THR 19 Cb 0.71 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1x2n h THR 19 CO 0.03 0.00 -0.48 0.78 -0.25 0.00 0.00 175.52 175.60 1x2n h ASN 20 N 0.00 -1.13 0.12 5.36 2.35 -0.64 0.11 115.58 121.74 1x2n h ASN 20 Ca 0.03 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1x2n h ASN 20 Cb 0.12 0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 1x2n h ASN 20 CO -0.00 -0.80 -0.46 0.58 -1.65 0.00 0.00 177.43 175.10 1x2n h VAL 21 N -1.36 0.10 -0.37 2.81 2.07 -1.53 0.72 116.25 118.69 1x2n h VAL 21 Ca -0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1x2n h VAL 21 Cb 1.03 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1x2n h VAL 21 CO 0.22 0.00 -0.13 0.24 0.02 0.00 0.00 177.57 177.92 1x2n h MET 22 N -0.69 -0.06 0.33 1.57 2.86 -1.54 -0.26 114.93 117.14 1x2n h MET 22 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1x2n h MET 22 Cb 0.71 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1x2n h MET 22 CO -0.26 -0.04 -0.37 0.00 1.06 0.00 0.00 176.91 177.30 1x2n h ARG 23 N -0.06 -0.68 -0.52 1.72 3.08 -0.30 0.08 114.38 117.70 1x2n h ARG 23 Ca 0.18 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.37 1x2n h ARG 23 Cb 0.33 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.43 1x2n h ARG 23 CO -0.41 -0.46 -0.31 1.03 -1.07 0.00 0.00 179.97 178.76 1x2n h SER 24 N -0.71 -1.04 -0.06 7.04 0.87 -0.62 -0.99 113.55 118.04 1x2n h SER 24 Ca -0.04 0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1x2n h SER 24 Cb 0.63 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 1x2n h SER 24 CO -0.07 -0.30 -0.34 -0.25 -0.53 0.00 0.00 176.83 175.34 1x2n h TRP 25 N -0.18 -0.94 -0.49 2.24 7.01 -0.85 -0.68 115.95 122.07 1x2n h TRP 25 Ca 0.22 0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.35 1x2n h TRP 25 Cb 0.53 0.42 -0.10 0.00 -2.10 0.00 0.00 29.16 27.91 1x2n h TRP 25 CO -0.58 -0.42 -0.22 1.25 -2.79 0.00 0.00 178.44 175.68 1x2n h LEU 26 N -0.45 -0.76 -0.70 0.65 5.85 0.03 0.10 115.31 120.03 1x2n h LEU 26 Ca 0.07 0.18 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1x2n h LEU 26 Cb 0.57 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1x2n h LEU 26 CO -0.32 -0.24 0.37 -0.26 -0.34 0.00 0.00 178.44 177.65 1x2n h PHE 27 N -0.11 0.68 0.00 1.25 0.04 -0.63 0.89 116.94 119.06 1x2n h PHE 27 Ca 0.23 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 1x2n h PHE 27 Cb 0.47 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1x2n h PHE 27 CO -0.49 0.30 -0.06 1.96 -0.60 0.00 0.00 178.31 179.41 1x2n h GLN 28 N 0.67 0.00 -0.19 1.51 1.08 0.49 -2.44 115.11 116.23 1x2n h GLN 28 Ca 0.32 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.38 1x2n h GLN 28 Cb 0.26 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.58 1x2n h GLN 28 CO -0.22 0.06 -0.59 0.72 -0.95 0.00 0.00 178.83 177.85 1x2n n HIS 29 N -4.46 0.69 -0.29 2.96 8.25 -0.14 -4.82 115.22 117.42 1x2n n HIS 29 Ca -0.03 -1.67 0.11 0.00 -0.26 0.00 0.00 57.72 55.87 1x2n n HIS 29 Cb 0.14 -0.27 0.26 0.00 1.12 0.00 0.00 29.99 31.24 1x2n n HIS 29 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1x2n h ILE 30 N 1.42 0.37 -0.41 1.59 6.09 0.12 -0.18 117.51 126.52 1x2n h ILE 30 Ca 0.09 -0.08 0.08 0.00 -1.37 0.00 0.00 64.86 63.58 1x2n h ILE 30 Cb 1.15 0.12 -0.08 0.00 0.47 0.00 0.00 36.82 38.47 1x2n h ILE 30 CO 0.19 0.04 -0.14 1.23 -3.07 0.00 0.00 178.15 176.41 1x2n h GLY 31 N 0.23 0.22 -6.70 8.18 0.00 -1.86 -3.33 103.07 99.82 1x2n h GLY 31 Ca 0.52 0.18 -0.60 0.00 0.00 0.00 0.00 47.33 47.43 1x2n h GLY 31 CO -0.62 -0.18 -0.82 -1.58 0.00 0.00 0.00 176.54 173.35 1x2n s HIS 32 N -6.19 1.72 -1.13 5.60 5.65 -0.14 -5.05 115.29 115.75 1x2n s HIS 32 Ca -0.14 -2.42 -0.23 0.00 0.25 0.00 0.00 55.06 52.52 1x2n s HIS 32 Cb 0.15 -1.50 -0.10 0.00 -1.18 0.00 0.00 32.58 29.94 1x2n s HIS 32 CO 0.71 -0.77 1.93 -0.35 -0.65 0.00 0.00 174.74 175.61 1x2n n PRO 33 N 3.08 1.57 -3.64 2.88 -0.04 -0.83 -4.84 135.00 133.18 1x2n n PRO 33 Ca 0.19 -2.38 -0.27 0.00 -0.04 0.00 0.00 63.50 61.00 1x2n n PRO 33 Cb 0.40 -3.62 -0.16 0.00 -0.04 0.00 0.00 33.50 30.07 1x2n n PRO 33 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x2n s TYR 34 N 10.32 0.59 0.50 0.54 1.51 -1.26 -5.02 117.35 124.53 1x2n s TYR 34 Ca 0.67 -0.70 -0.21 0.00 -1.01 0.00 0.00 57.07 55.82 1x2n s TYR 34 Cb 0.01 -0.91 -0.07 0.00 -0.11 0.00 0.00 41.96 40.88 1x2n s TYR 34 CO 0.14 -0.63 1.15 -1.25 -1.11 0.00 0.00 175.55 173.84 1x2n s PRO 35 N 2.01 3.55 -0.03 -1.71 0.04 -1.26 -5.04 135.00 132.56 1x2n s PRO 35 Ca 0.03 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 1x2n s PRO 35 Cb -0.16 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1x2n s PRO 35 CO -0.16 -0.70 0.19 0.95 0.04 0.00 0.00 177.00 177.32 1x2n s THR 36 N -1.66 5.43 0.34 1.26 -4.23 -1.26 -4.90 115.64 110.61 1x2n s THR 36 Ca 0.68 -0.03 0.27 0.00 -1.18 0.00 0.00 61.69 61.43 1x2n s THR 36 Cb -0.26 -3.52 0.41 0.00 1.34 0.00 0.00 72.50 70.47 1x2n s THR 36 CO 0.31 0.39 1.10 -0.62 -0.54 0.00 0.00 174.62 175.26 1x2n n GLU 37 N 1.18 -0.02 -0.02 3.99 1.02 -1.26 0.17 120.64 125.70 1x2n n GLU 37 Ca -0.13 0.85 -0.11 0.00 -0.02 0.00 0.00 57.16 57.74 1x2n n GLU 37 Cb 0.53 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1x2n h ASP 38 N 0.00 -0.05 -0.72 1.62 3.32 -2.00 -3.14 116.42 115.46 1x2n h ASP 38 Ca 0.64 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 57.21 1x2n h ASP 38 Cb 2.22 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 41.68 1x2n h ASP 38 CO -0.23 0.68 0.21 -0.33 -1.72 0.00 0.00 179.24 177.85 1x2n h GLU 39 N -0.86 0.32 -0.50 3.56 5.08 0.13 0.27 114.58 122.58 1x2n h GLU 39 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1x2n h GLU 39 Cb 0.67 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1x2n h GLU 39 CO 0.01 0.21 0.33 0.87 -1.00 0.00 0.00 179.01 179.43 1x2n h LYS 40 N 0.33 0.59 0.10 2.33 1.57 -1.35 0.40 116.57 120.53 1x2n h LYS 40 Ca 0.40 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1x2n h LYS 40 Cb 0.64 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x2n h LYS 40 CO -0.45 0.39 -0.05 0.87 -0.57 0.00 0.00 179.45 179.64 1x2n h LYS 41 N 0.61 -0.13 0.36 3.15 1.57 -0.57 -2.80 116.57 118.76 1x2n h LYS 41 Ca 0.19 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1x2n h LYS 41 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1x2n h LYS 41 CO -0.05 0.33 -0.19 1.96 -0.57 0.00 0.00 179.45 180.94 1x2n h GLN 42 N -0.93 -0.48 -0.45 3.15 1.08 -0.55 -2.98 115.11 113.95 1x2n h GLN 42 Ca -0.01 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1x2n h GLN 42 Cb 0.52 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.97 1x2n h GLN 42 CO 0.02 -0.32 -0.13 0.82 -0.95 0.00 0.00 178.83 178.27 1x2n h ILE 43 N -0.50 0.52 -1.21 2.54 2.04 -0.36 0.24 117.51 120.78 1x2n h ILE 43 Ca -0.04 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.21 1x2n h ILE 43 Cb 0.39 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 1x2n h ILE 43 CO 0.07 0.00 0.76 0.00 0.00 0.00 0.00 178.15 178.98 1x2n h ALA 44 N 1.40 2.52 0.22 1.87 0.00 -1.34 0.22 119.26 124.15 1x2n h ALA 44 Ca 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1x2n h ALA 44 Cb 0.35 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x2n h ALA 44 CO -0.47 -1.13 -0.11 0.00 0.00 0.00 0.00 179.25 177.54 1x2n h ALA 45 N 1.66 -0.40 -0.99 0.00 0.00 -0.93 1.87 119.26 120.47 1x2n h ALA 45 Ca 0.78 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.89 1x2n h ALA 45 Cb 2.28 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 20.05 1x2n h ALA 45 CO -0.45 -0.38 0.56 1.96 0.00 0.00 0.00 179.25 180.94 1x2n h GLN 46 N -0.76 0.47 0.00 0.00 4.20 -0.92 0.39 115.11 118.49 1x2n h GLN 46 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1x2n h GLN 46 Cb 0.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1x2n h GLN 46 CO 0.05 0.31 -1.07 0.25 -0.67 0.00 0.00 178.83 177.70 1x2n n THR 47 N -4.96 0.21 -2.79 -0.54 -2.24 0.67 -4.85 114.28 99.79 1x2n n THR 47 Ca 0.28 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1x2n n THR 47 Cb 0.81 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1x2n n THR 47 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x2n n ASN 48 N -2.06 -4.54 -4.63 3.42 2.85 0.53 -4.65 115.26 106.17 1x2n n ASN 48 Ca 0.01 -0.20 -0.23 0.00 -0.11 0.00 0.00 54.58 54.05 1x2n n ASN 48 Cb 0.46 -3.38 -0.07 0.00 1.24 0.00 0.00 39.78 38.02 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x2n s LEU 49 N -4.53 3.16 0.24 1.20 1.43 0.44 -4.95 118.68 115.65 1x2n s LEU 49 Ca 0.21 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1x2n s LEU 49 Cb -0.09 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1x2n s LEU 49 CO 0.26 0.01 0.68 0.42 0.23 0.00 0.00 176.35 177.95 1x2n s THR 50 N -2.29 4.69 0.39 5.49 -4.23 -1.26 -4.29 115.64 114.13 1x2n s THR 50 Ca 0.31 1.03 0.29 0.00 -1.18 0.00 0.00 61.69 62.14 1x2n s THR 50 Cb -0.06 -3.74 0.45 0.00 1.34 0.00 0.00 72.50 70.48 1x2n s THR 50 CO 0.19 0.08 1.39 0.18 -0.54 0.00 0.00 174.62 175.93 1x2n n LEU 51 N 0.36 0.19 -0.03 4.79 7.99 -1.26 0.16 117.00 129.20 1x2n n LEU 51 Ca -0.01 1.24 -0.13 0.00 -0.01 0.00 0.00 56.01 57.10 1x2n n LEU 51 Cb 0.52 -0.61 -0.08 0.00 -0.11 0.00 0.00 43.42 43.14 1x2n n LEU 51 CO 0.43 -1.35 0.65 0.25 -1.51 0.00 0.00 177.39 175.86 1x2n h LEU 52 N 0.00 0.17 0.81 2.23 5.85 -1.96 -2.69 115.31 119.72 1x2n h LEU 52 Ca 0.79 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1x2n h LEU 52 Cb 2.53 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 43.51 1x2n h LEU 52 CO -0.42 0.57 -0.41 1.56 -0.34 0.00 0.00 178.44 179.40 1x2n h GLN 53 N -0.23 -1.08 -1.05 1.25 4.20 0.11 0.29 115.11 118.61 1x2n h GLN 53 Ca 0.02 0.07 0.28 0.00 0.06 0.00 0.00 58.65 59.08 1x2n h GLN 53 Cb 0.51 0.24 -0.12 0.00 0.30 0.00 0.00 27.48 28.42 1x2n h GLN 53 CO 0.01 -0.72 0.64 0.28 -0.67 0.00 0.00 178.83 178.38 1x2n h VAL 54 N -1.12 0.46 0.26 -0.54 2.07 -1.33 -0.72 116.25 115.33 1x2n h VAL 54 Ca -0.11 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1x2n h VAL 54 Cb 0.87 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1x2n h VAL 54 CO 0.17 0.08 -0.12 0.78 0.02 0.00 0.00 177.57 178.49 1x2n h ASN 55 N 0.43 -0.29 -0.44 0.57 2.35 -1.11 -2.89 115.58 114.18 1x2n h ASN 55 Ca 0.65 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 56.25 1x2n h ASN 55 Cb 1.52 0.08 -0.10 0.00 0.05 0.00 0.00 38.32 39.87 1x2n h ASN 55 CO -0.42 0.18 -0.37 0.78 -1.65 0.00 0.00 177.43 175.95 1x2n h ASN 56 N -0.89 -1.24 -0.28 5.81 2.35 0.19 0.20 115.58 121.72 1x2n h ASN 56 Ca -0.04 0.21 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 1x2n h ASN 56 Cb 0.51 0.57 -0.08 0.00 0.05 0.00 0.00 38.32 39.37 1x2n h ASN 56 CO 0.06 -0.34 -0.29 -0.25 -1.65 0.00 0.00 177.43 174.96 1x2n h TRP 57 N -0.26 -0.80 0.32 1.19 7.01 -1.28 -0.47 115.95 121.67 1x2n h TRP 57 Ca 0.17 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1x2n h TRP 57 Cb 0.56 0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 1x2n h TRP 57 CO -0.59 -0.36 -0.32 0.74 -2.79 0.00 0.00 178.44 175.12 1x2n h PHE 58 N -0.28 -0.85 -0.92 2.65 0.04 -1.06 0.34 116.94 116.85 1x2n h PHE 58 Ca 0.14 0.01 0.24 0.00 2.80 0.00 0.00 57.97 61.16 1x2n h PHE 58 Cb 0.51 0.33 -0.13 0.00 2.20 0.00 0.00 35.95 38.86 1x2n h PHE 58 CO -0.46 -0.45 0.43 0.82 -0.60 0.00 0.00 178.31 178.05 1x2n h ILE 59 N -0.67 0.45 -0.34 -0.55 2.04 -0.19 0.21 117.51 118.46 1x2n h ILE 59 Ca -0.02 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 1x2n h ILE 59 Cb 0.61 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1x2n h ILE 59 CO -0.06 0.07 -0.37 -1.13 0.00 0.00 0.00 178.15 176.67 1x2n h ASN 60 N 0.40 0.92 0.51 1.72 -1.24 -0.54 -3.10 115.58 114.25 1x2n h ASN 60 Ca 0.59 -0.47 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1x2n h ASN 60 Cb 1.16 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 39.96 1x2n h ASN 60 CO -0.54 1.21 -0.25 0.00 -1.29 0.00 0.00 177.43 176.56 1x2n h ALA 61 N 0.74 -0.69 -0.85 1.57 0.00 0.15 -2.84 119.26 117.33 1x2n h ALA 61 Ca 0.05 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.02 1x2n h ALA 61 Cb 0.96 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1x2n h ALA 61 CO 0.09 -0.87 0.24 0.00 0.00 0.00 0.00 179.25 178.70 1x2n h ARG 62 N -0.72 0.23 -0.05 0.00 3.08 -0.98 0.94 114.38 116.88 1x2n h ARG 62 Ca -0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1x2n h ARG 62 Cb 0.54 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1x2n h ARG 62 CO 0.12 0.15 0.04 0.00 -1.07 0.00 0.00 179.97 179.21 1x2n h ARG 63 N 0.24 0.00 0.14 0.04 3.08 -1.43 0.33 114.38 116.78 1x2n h ARG 63 Ca 0.52 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.57 1x2n h ARG 63 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1x2n h ARG 63 CO -0.62 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.22 1x2n h ARG 64 N 0.00 -0.18 -0.05 0.04 3.08 0.11 -2.87 114.38 114.52 1x2n h ARG 64 Ca 0.02 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1x2n h ARG 64 Cb 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1x2n h ARG 64 CO -0.00 0.22 -0.21 -0.84 -1.07 0.00 0.00 179.97 178.07 1x2n h ILE 65 N -0.94 1.18 -0.06 2.04 3.07 -1.11 -2.95 117.51 118.75 1x2n h ILE 65 Ca -0.02 -0.83 -0.00 0.00 1.55 0.00 0.00 64.86 65.56 1x2n h ILE 65 Cb 0.48 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1x2n h ILE 65 CO 0.03 0.24 0.02 -0.07 -1.05 0.00 0.00 178.15 177.32 1x2n h LEU 66 N 0.07 0.08 -7.63 0.16 3.38 -0.43 -3.36 115.31 107.58 1x2n h LEU 66 Ca 0.01 -0.21 -0.74 0.00 0.09 0.00 0.00 57.88 57.03 1x2n h LEU 66 Cb 0.42 -0.02 -0.31 0.00 0.09 0.00 0.00 40.66 40.84 1x2n h LEU 66 CO 0.03 0.27 -0.08 -1.58 0.09 0.00 0.00 178.44 177.17 1x2n s GLN 67 N -5.37 3.21 0.20 1.13 0.74 -1.08 -4.93 119.66 113.57 1x2n s GLN 67 Ca -0.14 -2.68 -0.11 0.00 0.05 0.00 0.00 55.36 52.48 1x2n s GLN 67 Cb 0.05 -4.10 0.26 0.00 1.10 0.00 0.00 33.01 30.31 1x2n s GLN 67 CO 0.68 -1.24 1.69 0.77 -0.55 0.00 0.00 175.29 176.64 1x2n h SER 68 N 7.13 -0.10 -4.00 6.67 0.02 -1.72 -3.45 113.55 118.11 1x2n h SER 68 Ca 0.07 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1x2n h SER 68 Cb 0.96 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1x2n h SER 68 CO 0.77 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 1x2n n GLY 69 N -1.32 0.32 0.00 -3.77 0.00 -1.26 -4.69 105.19 94.47 1x2n n GLY 69 Ca 0.08 -2.28 0.08 0.00 0.00 0.00 0.00 46.02 43.89 1x2n n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2n n PRO 70 N 0.00 0.42 -4.48 1.61 -0.04 -1.26 -4.62 135.00 126.63 1x2n n PRO 70 Ca 0.00 0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1x2n n PRO 70 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1x2n n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2n s SER 71 N -2.15 4.27 -0.21 3.54 0.15 -1.26 -5.10 113.70 112.94 1x2n s SER 71 Ca 0.21 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.52 1x2n s SER 71 Cb 0.11 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1x2n s SER 71 CO 0.19 0.13 -0.00 -0.94 1.20 0.00 0.00 173.24 173.82 1x2n s SER 72 N 0.60 4.75 0.00 5.45 1.04 -1.26 -4.92 113.70 119.36 1x2n s SER 72 Ca -0.05 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x2n s SER 72 Cb -0.15 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1x2n s SER 72 CO 0.03 0.04 0.29 0.61 0.98 0.00 0.00 173.24 175.18