#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 -0.41 -0.08 1.61 0.01 -1.26 -5.17 113.70 108.40 1x2n s SER 2 Ca 0.00 0.68 -0.32 0.00 1.31 0.00 0.00 55.95 57.62 1x2n s SER 2 Cb 0.00 0.73 0.12 0.00 0.21 0.00 0.00 66.02 67.08 1x2n s SER 2 CO 0.00 -0.25 1.11 -0.55 0.41 0.00 0.00 173.24 173.96 1x2n s SER 3 N -0.22 -0.19 0.00 2.44 0.15 -1.26 -5.13 113.70 109.48 1x2n s SER 3 Ca -0.04 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x2n s SER 3 Cb -0.03 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1x2n s SER 3 CO 0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x2n n GLY 4 N -0.23 -0.08 2.94 9.45 0.00 -1.26 -5.05 105.19 110.96 1x2n n GLY 4 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1x2n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2n n SER 5 N -1.13 -4.43 -3.69 1.61 2.88 -1.26 -5.02 113.62 102.57 1x2n n SER 5 Ca 0.00 -0.40 -0.11 0.00 -1.33 0.00 0.00 58.87 57.03 1x2n n SER 5 Cb 0.00 -3.75 -0.11 0.00 -0.75 0.00 0.00 64.21 59.60 1x2n n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2n s SER 6 N -3.40 -0.35 0.00 -3.46 0.15 -1.26 -5.15 113.70 100.23 1x2n s SER 6 Ca 0.32 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1x2n s SER 6 Cb -0.14 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1x2n s SER 6 CO 0.52 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1x2n n GLY 7 N 4.52 2.46 3.64 9.45 0.00 -1.26 -5.17 105.19 118.84 1x2n n GLY 7 Ca -0.20 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1x2n n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x2n s LYS 8 N -2.00 2.30 0.26 1.61 2.47 -1.26 -5.01 119.74 118.11 1x2n s LYS 8 Ca 0.00 -1.32 -0.04 0.00 -1.56 0.00 0.00 55.97 53.05 1x2n s LYS 8 Cb 0.00 -2.21 0.50 0.00 -1.46 0.00 0.00 37.83 34.66 1x2n s LYS 8 CO 0.00 0.39 1.37 0.27 0.16 0.00 0.00 175.35 177.55 1x2n n ASN 9 N -0.62 -0.24 -4.43 1.43 6.94 -1.26 -4.73 115.26 112.36 1x2n n ASN 9 Ca -0.08 1.50 -0.38 0.00 -0.02 0.00 0.00 54.58 55.61 1x2n n ASN 9 Cb 0.58 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 37.43 1x2n n ASN 9 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1x2n n LYS 10 N -5.37 -1.04 -2.12 -3.83 3.00 -1.26 -4.86 118.16 102.68 1x2n n LYS 10 Ca 0.17 0.15 -0.34 0.00 -0.00 0.00 0.00 58.31 58.28 1x2n n LYS 10 Cb 0.53 -4.35 0.01 0.00 0.00 0.00 0.00 35.03 31.22 1x2n n LYS 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1x2n s ARG 11 N -7.25 3.21 0.18 1.64 3.52 -1.26 -4.97 118.95 114.01 1x2n s ARG 11 Ca 0.52 1.51 -0.16 0.00 -0.13 0.00 0.00 55.73 57.47 1x2n s ARG 11 Cb -0.30 -2.00 0.06 0.00 -1.56 0.00 0.00 34.95 31.15 1x2n s ARG 11 CO 1.01 -0.94 0.79 0.41 -0.81 0.00 0.00 175.30 175.76 1x2n n GLY 12 N -0.12 0.82 3.53 8.12 0.00 -1.26 -5.14 105.19 111.13 1x2n n GLY 12 Ca 0.11 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1x2n n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x2n s VAL 13 N -2.18 4.79 0.15 1.61 -7.23 -1.26 -5.09 120.40 111.19 1x2n s VAL 13 Ca 0.17 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.41 1x2n s VAL 13 Cb -0.03 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1x2n s VAL 13 CO 0.05 0.32 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.35 1x2n s LEU 14 N 1.51 3.19 0.78 1.32 1.43 -1.26 -5.12 118.68 120.52 1x2n s LEU 14 Ca 0.06 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1x2n s LEU 14 Cb -0.15 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.24 1x2n s LEU 14 CO 0.06 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.70 1x2n s PRO 15 N -2.67 2.20 0.18 1.29 0.04 -1.26 -4.86 135.00 129.92 1x2n s PRO 15 Ca 0.25 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 1x2n s PRO 15 Cb -0.10 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.65 1x2n s PRO 15 CO 0.17 -1.68 1.77 -0.22 0.04 0.00 0.00 177.00 177.07 1x2n h LYS 16 N -1.16 0.94 -0.70 4.56 3.64 -2.00 -1.91 116.57 119.95 1x2n h LYS 16 Ca -0.44 -0.15 0.10 0.00 -1.27 0.00 0.00 60.65 58.90 1x2n h LYS 16 Cb 1.23 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.81 1x2n h LYS 16 CO 0.51 0.76 0.32 1.25 -2.27 0.00 0.00 179.45 180.02 1x2n h HIS 17 N 0.90 0.56 0.03 1.91 2.76 -1.98 0.24 115.15 119.57 1x2n h HIS 17 Ca 0.22 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1x2n h HIS 17 Cb 0.14 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1x2n h HIS 17 CO 0.00 0.17 -0.01 0.00 -1.30 0.00 0.00 177.93 176.79 1x2n h ALA 18 N 1.45 -0.04 -0.05 5.26 0.00 -1.76 -3.01 119.26 121.12 1x2n h ALA 18 Ca 0.36 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x2n h ALA 18 Cb 0.43 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x2n h ALA 18 CO -0.30 -0.34 0.03 1.79 0.00 0.00 0.00 179.25 180.43 1x2n h THR 19 N -0.40 0.98 0.78 0.00 1.35 -0.88 -2.84 112.91 111.89 1x2n h THR 19 Ca -0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 1x2n h THR 19 Cb 0.38 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1x2n h THR 19 CO 0.01 0.00 -0.47 0.78 -0.25 0.00 0.00 175.52 175.59 1x2n h ASN 20 N 0.00 -1.18 0.26 5.36 2.35 -0.39 0.28 115.58 122.26 1x2n h ASN 20 Ca 0.02 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1x2n h ASN 20 Cb 0.08 0.34 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 1x2n h ASN 20 CO -0.00 -0.73 -0.47 0.58 -1.65 0.00 0.00 177.43 175.16 1x2n h VAL 21 N -1.17 0.08 -0.41 2.81 2.07 -1.47 -0.67 116.25 117.49 1x2n h VAL 21 Ca -0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1x2n h VAL 21 Cb 0.93 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1x2n h VAL 21 CO 0.11 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.87 1x2n h MET 22 N -0.80 0.03 0.17 1.57 2.86 -1.51 -1.90 114.93 115.36 1x2n h MET 22 Ca -0.01 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1x2n h MET 22 Cb 0.76 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1x2n h MET 22 CO -0.18 0.02 -0.47 0.00 1.06 0.00 0.00 176.91 177.34 1x2n h ARG 23 N 0.03 -0.69 -0.51 1.72 3.08 -0.05 -0.01 114.38 117.95 1x2n h ARG 23 Ca 0.20 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.38 1x2n h ARG 23 Cb 0.30 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.41 1x2n h ARG 23 CO -0.40 -0.46 -0.43 1.03 -1.07 0.00 0.00 179.97 178.64 1x2n h SER 24 N -0.72 -1.46 -0.12 7.04 0.87 -0.81 -0.75 113.55 117.60 1x2n h SER 24 Ca -0.02 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1x2n h SER 24 Cb 0.70 0.66 -0.06 0.00 -0.44 0.00 0.00 62.40 63.25 1x2n h SER 24 CO -0.22 -0.35 -0.36 -0.25 -0.53 0.00 0.00 176.83 175.12 1x2n h TRP 25 N -0.27 -1.01 -0.65 2.24 7.01 -1.05 -0.29 115.95 121.93 1x2n h TRP 25 Ca 0.16 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.34 1x2n h TRP 25 Cb 0.57 0.46 -0.12 0.00 -2.10 0.00 0.00 29.16 27.97 1x2n h TRP 25 CO -0.67 -0.43 -0.11 1.25 -2.79 0.00 0.00 178.44 175.68 1x2n h LEU 26 N -0.44 -0.51 -0.40 0.65 5.85 0.01 0.26 115.31 120.73 1x2n h LEU 26 Ca 0.09 0.19 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1x2n h LEU 26 Cb 0.58 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1x2n h LEU 26 CO -0.36 -0.19 0.25 -0.26 -0.34 0.00 0.00 178.44 177.53 1x2n h PHE 27 N 0.03 0.47 -0.28 1.25 0.04 -0.33 0.71 116.94 118.83 1x2n h PHE 27 Ca 0.33 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.18 1x2n h PHE 27 Cb 0.52 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1x2n h PHE 27 CO -0.48 0.28 0.20 1.96 -0.60 0.00 0.00 178.31 179.67 1x2n h GLN 28 N 0.50 0.03 -0.12 1.51 4.20 0.72 -1.72 115.11 120.24 1x2n h GLN 28 Ca 0.15 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1x2n h GLN 28 Cb -0.03 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.67 1x2n h GLN 28 CO -0.05 0.02 -0.56 0.72 -0.67 0.00 0.00 178.83 178.29 1x2n n HIS 29 N -4.46 0.43 -0.30 2.96 8.25 -0.40 -4.83 115.22 116.87 1x2n n HIS 29 Ca 0.03 -1.59 0.11 0.00 -0.26 0.00 0.00 57.72 56.01 1x2n n HIS 29 Cb 0.33 -0.26 0.24 0.00 1.12 0.00 0.00 29.99 31.43 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 1.31 0.21 -0.51 1.59 6.09 0.14 0.18 117.51 126.53 1x2n h ILE 30 Ca 0.05 -0.03 0.09 0.00 -1.37 0.00 0.00 64.86 63.60 1x2n h ILE 30 Cb 1.10 0.11 -0.07 0.00 0.47 0.00 0.00 36.82 38.42 1x2n h ILE 30 CO 0.12 0.02 0.07 1.23 -3.07 0.00 0.00 178.15 176.52 1x2n h GLY 31 N 0.10 0.60 -6.70 8.18 0.00 -1.85 -3.33 103.07 100.07 1x2n h GLY 31 Ca 0.52 -0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.25 1x2n h GLY 31 CO -0.76 -0.09 -0.82 -1.58 0.00 0.00 0.00 176.54 173.29 1x2n s HIS 32 N -6.14 1.80 -1.18 5.60 5.65 0.56 -5.05 115.29 116.52 1x2n s HIS 32 Ca -0.13 -2.49 -0.23 0.00 0.25 0.00 0.00 55.06 52.46 1x2n s HIS 32 Cb 0.16 -1.54 -0.09 0.00 -1.18 0.00 0.00 32.58 29.93 1x2n s HIS 32 CO 0.73 -0.76 1.93 -0.35 -0.65 0.00 0.00 174.74 175.64 1x2n n PRO 33 N 2.97 1.60 -3.66 2.88 -0.04 -0.75 -4.85 135.00 133.16 1x2n n PRO 33 Ca 0.20 -2.46 -0.27 0.00 -0.04 0.00 0.00 63.50 60.93 1x2n n PRO 33 Cb 0.40 -3.72 -0.16 0.00 -0.04 0.00 0.00 33.50 29.99 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 10.92 0.66 0.32 0.54 1.51 -1.26 -5.00 117.35 125.04 1x2n s TYR 34 Ca 0.68 -0.73 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 1x2n s TYR 34 Cb -0.00 -0.94 -0.10 0.00 -0.11 0.00 0.00 41.96 40.81 1x2n s TYR 34 CO 0.14 -0.63 1.22 -1.25 -1.11 0.00 0.00 175.55 173.92 1x2n s PRO 35 N 1.98 4.42 0.15 -1.71 0.04 -1.26 -5.03 135.00 133.59 1x2n s PRO 35 Ca 0.03 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1x2n s PRO 35 Cb -0.17 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1x2n s PRO 35 CO -0.14 -0.07 0.50 0.95 0.04 0.00 0.00 177.00 178.28 1x2n s THR 36 N -1.18 4.96 0.32 1.26 -4.23 -1.26 -4.86 115.64 110.66 1x2n s THR 36 Ca 0.48 0.58 0.22 0.00 -1.18 0.00 0.00 61.69 61.78 1x2n s THR 36 Cb -0.36 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.15 1x2n s THR 36 CO 0.47 0.15 1.25 -1.84 -0.54 0.00 0.00 174.62 174.12 1x2n n GLU 37 N 0.52 -0.04 -0.03 3.99 0.28 -1.26 0.24 120.64 124.34 1x2n n GLU 37 Ca -0.04 1.04 -0.16 0.00 -0.16 0.00 0.00 57.16 57.84 1x2n n GLU 37 Cb 0.52 -1.97 -0.09 0.00 1.43 0.00 0.00 31.44 31.34 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1x2n h ASP 38 N 0.00 0.57 -0.52 -1.84 5.19 -2.00 -3.03 116.42 114.79 1x2n h ASP 38 Ca 0.69 -0.64 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1x2n h ASP 38 Cb 2.04 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 41.34 1x2n h ASP 38 CO -0.48 1.12 0.25 -0.33 -3.12 0.00 0.00 179.24 176.68 1x2n h GLU 39 N 0.06 0.47 -0.09 3.56 4.39 0.27 0.22 114.58 123.45 1x2n h GLU 39 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x2n h GLU 39 Cb 1.10 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1x2n h GLU 39 CO 0.09 0.31 -0.01 0.87 -1.16 0.00 0.00 179.01 179.12 1x2n h LYS 40 N 0.48 0.13 0.05 2.33 1.57 -1.27 0.31 116.57 120.17 1x2n h LYS 40 Ca 0.24 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1x2n h LYS 40 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1x2n h LYS 40 CO -0.18 0.15 -0.02 0.87 -0.57 0.00 0.00 179.45 179.70 1x2n h LYS 41 N 0.13 -0.06 0.39 3.15 1.57 -1.05 -2.85 116.57 117.85 1x2n h LYS 41 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x2n h LYS 41 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1x2n h LYS 41 CO 0.00 0.41 -0.19 1.96 -0.57 0.00 0.00 179.45 181.07 1x2n h GLN 42 N -0.97 -0.51 -0.27 3.15 1.08 -0.52 -3.11 115.11 113.96 1x2n h GLN 42 Ca -0.01 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1x2n h GLN 42 Cb 0.50 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 1x2n h GLN 42 CO 0.01 -0.30 -0.23 0.82 -0.95 0.00 0.00 178.83 178.18 1x2n h ILE 43 N -0.58 0.41 -1.24 2.54 2.04 -0.55 -0.31 117.51 119.82 1x2n h ILE 43 Ca -0.05 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.24 1x2n h ILE 43 Cb 0.44 0.41 -0.14 0.00 -0.74 0.00 0.00 36.82 36.78 1x2n h ILE 43 CO 0.09 0.00 0.77 0.00 0.00 0.00 0.00 178.15 179.01 1x2n h ALA 44 N 0.88 2.57 0.17 1.87 0.00 -1.44 0.23 119.26 123.54 1x2n h ALA 44 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1x2n h ALA 44 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x2n h ALA 44 CO -0.40 -1.24 -0.08 0.00 0.00 0.00 0.00 179.25 177.53 1x2n h ALA 45 N 1.70 -0.36 -1.07 0.00 0.00 -1.03 1.71 119.26 120.22 1x2n h ALA 45 Ca 0.83 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 56.01 1x2n h ALA 45 Cb 2.47 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 20.22 1x2n h ALA 45 CO -0.51 -0.35 0.65 1.96 0.00 0.00 0.00 179.25 181.00 1x2n h GLN 46 N -0.60 0.34 0.00 0.00 1.08 -0.81 0.66 115.11 115.77 1x2n h GLN 46 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1x2n h GLN 46 Cb 0.17 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1x2n h GLN 46 CO 0.04 0.22 -1.15 0.25 -0.95 0.00 0.00 178.83 177.24 1x2n n THR 47 N -4.85 0.18 -2.56 -0.54 -2.24 0.71 -4.84 114.28 100.13 1x2n n THR 47 Ca 0.30 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1x2n n THR 47 Cb 0.99 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.04 -4.25 -4.67 3.42 5.15 0.44 -4.68 115.26 108.63 1x2n n ASN 48 Ca 0.01 -0.12 -0.24 0.00 -0.60 0.00 0.00 54.58 53.63 1x2n n ASN 48 Cb 0.46 -3.24 -0.07 0.00 -0.53 0.00 0.00 39.78 36.40 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x2n s LEU 49 N -4.09 3.31 0.23 1.20 1.43 0.48 -4.95 118.68 116.28 1x2n s LEU 49 Ca 0.12 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1x2n s LEU 49 Cb -0.05 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1x2n s LEU 49 CO 0.15 0.03 0.70 0.42 0.23 0.00 0.00 176.35 177.88 1x2n s THR 50 N -2.07 4.63 0.34 5.49 -4.23 -1.26 -4.31 115.64 114.22 1x2n s THR 50 Ca 0.30 1.17 0.25 0.00 -1.18 0.00 0.00 61.69 62.22 1x2n s THR 50 Cb -0.08 -3.81 0.38 0.00 1.34 0.00 0.00 72.50 70.34 1x2n s THR 50 CO 0.20 0.16 1.21 0.18 -0.54 0.00 0.00 174.62 175.83 1x2n n LEU 51 N 0.58 0.17 0.16 4.79 7.99 -1.26 0.11 117.00 129.54 1x2n n LEU 51 Ca -0.02 1.09 -0.13 0.00 -0.01 0.00 0.00 56.01 56.94 1x2n n LEU 51 Cb 0.51 -0.53 -0.08 0.00 -0.11 0.00 0.00 43.42 43.21 1x2n n LEU 51 CO 0.43 -1.18 0.50 0.25 -1.51 0.00 0.00 177.39 175.87 1x2n h LEU 52 N 0.00 -0.37 0.28 2.23 5.85 -1.96 -2.56 115.31 118.77 1x2n h LEU 52 Ca 0.68 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.24 1x2n h LEU 52 Cb 2.17 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 43.27 1x2n h LEU 52 CO -0.38 0.02 -0.42 1.56 -0.34 0.00 0.00 178.44 178.88 1x2n h GLN 53 N -0.83 -0.73 -1.01 1.25 4.20 0.47 0.13 115.11 118.58 1x2n h GLN 53 Ca -0.05 0.05 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1x2n h GLN 53 Cb 0.52 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.34 1x2n h GLN 53 CO 0.07 -0.49 0.60 0.28 -0.67 0.00 0.00 178.83 178.63 1x2n h VAL 54 N -0.76 0.48 0.42 -0.54 2.07 -1.36 -0.94 116.25 115.62 1x2n h VAL 54 Ca -0.01 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1x2n h VAL 54 Cb 0.72 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1x2n h VAL 54 CO -0.15 0.09 -0.20 0.78 0.02 0.00 0.00 177.57 178.11 1x2n h ASN 55 N 0.51 -0.47 -0.71 0.57 2.35 -0.89 -2.94 115.58 113.99 1x2n h ASN 55 Ca 0.66 -0.07 0.11 0.00 -0.55 0.00 0.00 56.30 56.46 1x2n h ASN 55 Cb 1.36 0.12 -0.13 0.00 0.05 0.00 0.00 38.32 39.73 1x2n h ASN 55 CO -0.48 -0.04 -0.37 0.78 -1.65 0.00 0.00 177.43 175.67 1x2n h ASN 56 N -1.07 -1.31 -0.52 5.81 2.35 0.04 0.31 115.58 121.18 1x2n h ASN 56 Ca -0.06 0.25 0.10 0.00 -0.55 0.00 0.00 56.30 56.05 1x2n h ASN 56 Cb 0.51 0.65 -0.09 0.00 0.05 0.00 0.00 38.32 39.44 1x2n h ASN 56 CO 0.09 -0.30 -0.04 -0.25 -1.65 0.00 0.00 177.43 175.28 1x2n h TRP 57 N -0.13 -0.11 0.82 1.19 7.01 -1.29 0.46 115.95 123.90 1x2n h TRP 57 Ca 0.25 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 1x2n h TRP 57 Cb 0.56 0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.76 1x2n h TRP 57 CO -0.72 -0.16 -0.39 0.74 -2.79 0.00 0.00 178.44 175.12 1x2n h PHE 58 N 0.08 -1.02 -0.77 2.65 0.04 -0.64 0.50 116.94 117.79 1x2n h PHE 58 Ca 0.26 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.18 1x2n h PHE 58 Cb 0.41 0.34 -0.14 0.00 2.20 0.00 0.00 35.95 38.75 1x2n h PHE 58 CO -0.36 -0.62 -0.08 0.82 -0.60 0.00 0.00 178.31 177.47 1x2n h ILE 59 N -1.24 0.28 -0.30 -0.55 2.04 -0.20 0.15 117.51 117.69 1x2n h ILE 59 Ca -0.11 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 1x2n h ILE 59 Cb 0.85 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1x2n h ILE 59 CO 0.18 0.01 -0.53 -1.13 0.00 0.00 0.00 178.15 176.68 1x2n h ASN 60 N 0.05 0.97 0.32 1.72 -0.73 -0.86 -3.25 115.58 113.80 1x2n h ASN 60 Ca 0.40 -0.51 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1x2n h ASN 60 Cb 0.68 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 1x2n h ASN 60 CO -0.73 1.31 -0.40 0.00 -0.37 0.00 0.00 177.43 177.25 1x2n h ALA 61 N 0.71 -0.82 -0.78 1.57 0.00 0.26 -2.61 119.26 117.58 1x2n h ALA 61 Ca 0.02 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1x2n h ALA 61 Cb 1.14 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1x2n h ALA 61 CO 0.12 -1.01 -0.25 0.00 0.00 0.00 0.00 179.25 178.11 1x2n h ARG 62 N -0.76 -0.04 -0.55 0.00 3.08 -0.96 1.06 114.38 116.21 1x2n h ARG 62 Ca -0.02 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.19 1x2n h ARG 62 Cb 0.71 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1x2n h ARG 62 CO -0.11 -0.02 0.39 0.00 -1.07 0.00 0.00 179.97 179.16 1x2n h ARG 63 N -0.04 0.03 0.23 0.04 3.08 -1.50 -0.94 114.38 115.28 1x2n h ARG 63 Ca 0.35 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1x2n h ARG 63 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1x2n h ARG 63 CO -0.82 0.02 -0.11 0.00 -1.07 0.00 0.00 179.97 177.99 1x2n h ARG 64 N 0.03 -0.30 -0.92 0.04 3.08 0.15 0.17 114.38 116.63 1x2n h ARG 64 Ca 0.26 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1x2n h ARG 64 Cb 1.02 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 1x2n h ARG 64 CO -0.01 0.07 0.60 -0.84 -1.07 0.00 0.00 179.97 178.72 1x2n h ILE 65 N -0.77 1.14 -0.16 2.04 3.07 -0.77 -2.01 117.51 120.04 1x2n h ILE 65 Ca -0.03 -0.39 -0.17 0.00 1.55 0.00 0.00 64.86 65.82 1x2n h ILE 65 Cb 0.51 -0.09 -0.01 0.00 -0.27 0.00 0.00 36.82 36.96 1x2n h ILE 65 CO 0.05 0.21 -0.59 -0.07 -1.05 0.00 0.00 178.15 176.70 1x2n h LEU 66 N 1.13 0.60 -7.80 0.16 -0.00 -1.21 -3.37 115.31 104.83 1x2n h LEU 66 Ca 0.37 -0.34 -0.70 0.00 -0.00 0.00 0.00 57.88 57.22 1x2n h LEU 66 Cb 0.05 -0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 40.43 1x2n h LEU 66 CO -0.12 1.05 2.01 0.00 -0.00 0.00 0.00 178.44 181.38 1x2n n GLN 67 N -3.94 3.24 -1.03 1.13 3.00 0.04 -4.98 117.38 114.84 1x2n n GLN 67 Ca -0.03 -3.42 -0.28 0.00 -0.01 0.00 0.00 57.00 53.25 1x2n n GLN 67 Cb 0.63 -3.38 0.20 0.00 0.00 0.00 0.00 30.24 27.68 1x2n n GLN 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1x2n s SER 68 N 3.85 2.17 0.00 1.08 0.15 -1.26 -4.87 113.70 114.82 1x2n s SER 68 Ca 0.51 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1x2n s SER 68 Cb 0.02 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1x2n s SER 68 CO 0.06 -3.42 0.00 0.61 1.20 0.00 0.00 173.24 171.69 1x2n n GLY 69 N -0.68 5.57 0.00 9.45 0.00 -1.26 -5.00 105.19 113.27 1x2n n GLY 69 Ca 0.04 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 0.49 -1.50 1.61 -0.04 -1.26 -4.74 135.00 129.56 1x2n n PRO 70 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1x2n n PRO 70 Cb 0.00 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.84 1x2n n PRO 70 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x2n n SER 71 N -0.97 -0.09 -4.40 3.54 7.64 -1.26 -4.85 113.62 113.23 1x2n n SER 71 Ca 0.11 -1.06 -0.28 0.00 1.01 0.00 0.00 58.87 58.66 1x2n n SER 71 Cb 0.05 -1.03 -0.12 0.00 -1.01 0.00 0.00 64.21 62.09 1x2n n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x2n s SER 72 N 4.67 3.31 0.00 6.43 1.04 -1.26 -5.21 113.70 122.67 1x2n s SER 72 Ca 1.07 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1x2n s SER 72 Cb -0.48 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1x2n s SER 72 CO 0.33 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.30