#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 4.89 -0.17 1.61 0.15 -1.26 -5.07 113.70 113.85 1x2n s SER 2 Ca 0.00 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.07 1x2n s SER 2 Cb 0.00 -1.87 0.09 0.00 -1.71 0.00 0.00 66.02 62.53 1x2n s SER 2 CO 0.00 -0.04 0.80 -0.55 1.20 0.00 0.00 173.24 174.65 1x2n s SER 3 N 1.57 -0.61 0.00 5.45 0.15 -1.26 -5.12 113.70 113.88 1x2n s SER 3 Ca 0.06 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1x2n s SER 3 Cb -0.15 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1x2n s SER 3 CO 0.02 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1x2n n GLY 4 N 1.65 0.06 3.22 9.45 0.00 -1.26 -5.13 105.19 113.17 1x2n n GLY 4 Ca -0.15 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1x2n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2n s SER 5 N 1.03 -0.43 0.05 1.61 1.04 -1.26 -5.16 113.70 110.58 1x2n s SER 5 Ca 0.00 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.27 1x2n s SER 5 Cb 0.00 1.56 -0.02 0.00 0.10 0.00 0.00 66.02 67.66 1x2n s SER 5 CO 0.00 -0.25 0.06 -0.94 0.98 0.00 0.00 173.24 173.09 1x2n s SER 6 N 2.68 0.29 -0.42 7.02 1.04 -1.26 -5.09 113.70 117.96 1x2n s SER 6 Ca 0.05 -0.73 0.09 0.00 0.48 0.00 0.00 55.95 55.83 1x2n s SER 6 Cb -0.13 0.23 0.36 0.00 0.10 0.00 0.00 66.02 66.57 1x2n s SER 6 CO -0.16 -0.57 1.10 0.61 0.98 0.00 0.00 173.24 175.20 1x2n n GLY 7 N 0.41 1.38 2.73 7.32 0.00 -1.26 -5.07 105.19 110.70 1x2n n GLY 7 Ca -0.17 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1x2n n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2n s LYS 8 N -0.51 1.07 -0.52 1.61 1.02 -1.26 -5.08 119.74 116.07 1x2n s LYS 8 Ca 0.25 -1.65 -0.21 0.00 0.02 0.00 0.00 55.97 54.39 1x2n s LYS 8 Cb 0.34 -2.24 0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1x2n s LYS 8 CO -0.06 -1.09 0.72 -0.80 -0.92 0.00 0.00 175.35 173.21 1x2n s ASN 9 N 0.86 6.26 -0.75 2.83 -0.87 -1.26 -4.97 114.94 117.04 1x2n s ASN 9 Ca 0.14 -0.76 -0.37 0.00 -1.57 0.00 0.00 52.86 50.31 1x2n s ASN 9 Cb -0.22 -2.33 -0.20 0.00 -0.02 0.00 0.00 41.25 38.48 1x2n s ASN 9 CO -0.09 -1.00 2.43 0.29 -2.57 0.00 0.00 177.10 176.16 1x2n n LYS 10 N 6.56 0.05 -1.56 -0.60 4.01 -1.26 -4.87 118.16 120.49 1x2n n LYS 10 Ca -0.04 0.01 -0.31 0.00 -0.51 0.00 0.00 58.31 57.46 1x2n n LYS 10 Cb 0.46 -1.57 0.05 0.00 -0.51 0.00 0.00 35.03 33.47 1x2n n LYS 10 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1x2n s ARG 11 N 7.56 2.89 0.00 1.97 3.03 -1.26 -4.93 118.95 128.20 1x2n s ARG 11 Ca 1.27 0.99 0.00 0.00 2.03 0.00 0.00 55.73 60.03 1x2n s ARG 11 Cb -1.33 -1.98 0.00 0.00 -1.03 0.00 0.00 34.95 30.60 1x2n s ARG 11 CO 0.56 -1.14 0.00 0.41 -1.13 0.00 0.00 175.30 174.00 1x2n n GLY 12 N -1.85 1.90 3.95 3.88 0.00 -1.26 -5.09 105.19 106.72 1x2n n GLY 12 Ca 0.08 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.18 2.28 0.22 1.61 -7.23 -1.26 -5.10 120.40 110.73 1x2n s VAL 13 Ca 0.00 -0.37 0.06 0.00 -1.81 0.00 0.00 61.98 59.87 1x2n s VAL 13 Cb 0.00 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1x2n s VAL 13 CO 0.00 0.00 0.17 -0.76 -0.31 0.00 0.00 175.10 174.20 1x2n s LEU 14 N -5.22 3.80 0.54 1.32 1.43 -1.26 -5.10 118.68 114.18 1x2n s LEU 14 Ca 0.62 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 1x2n s LEU 14 Cb -0.09 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1x2n s LEU 14 CO 0.44 0.00 1.13 -2.16 0.23 0.00 0.00 176.35 176.00 1x2n s PRO 15 N -3.58 3.39 0.23 1.29 0.04 -1.26 -4.84 135.00 130.28 1x2n s PRO 15 Ca 0.32 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 1x2n s PRO 15 Cb -0.09 -2.03 0.39 0.00 0.04 0.00 0.00 34.50 32.82 1x2n s PRO 15 CO 0.24 -0.82 1.74 -0.22 0.04 0.00 0.00 177.00 177.98 1x2n h LYS 16 N 1.26 0.44 -0.36 4.56 3.64 -1.99 -0.96 116.57 123.16 1x2n h LYS 16 Ca -0.50 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1x2n h LYS 16 Cb 1.26 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1x2n h LYS 16 CO 0.57 0.29 -0.06 1.25 -2.27 0.00 0.00 179.45 179.23 1x2n h HIS 17 N 0.45 -0.14 0.21 1.91 2.76 -1.99 0.34 115.15 118.69 1x2n h HIS 17 Ca 0.38 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1x2n h HIS 17 Cb 0.53 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1x2n h HIS 17 CO -0.16 -0.13 -0.10 0.00 -1.30 0.00 0.00 177.93 176.24 1x2n h ALA 18 N 1.35 -0.28 -0.46 5.26 0.00 -1.57 -2.71 119.26 120.86 1x2n h ALA 18 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1x2n h ALA 18 Cb 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1x2n h ALA 18 CO -0.35 -0.61 0.31 1.79 0.00 0.00 0.00 179.25 180.39 1x2n h THR 19 N -0.37 0.99 0.52 0.00 1.35 -0.82 -2.81 112.91 111.76 1x2n h THR 19 Ca -0.03 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1x2n h THR 19 Cb 0.29 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1x2n h THR 19 CO 0.05 0.08 -0.43 0.78 -0.25 0.00 0.00 175.52 175.75 1x2n h ASN 20 N 0.42 -1.14 0.11 5.36 2.35 -0.00 0.30 115.58 122.97 1x2n h ASN 20 Ca 0.20 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1x2n h ASN 20 Cb 0.25 0.36 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1x2n h ASN 20 CO -0.05 -0.59 -0.51 0.58 -1.65 0.00 0.00 177.43 175.21 1x2n h VAL 21 N -0.92 0.00 -0.41 2.81 2.07 -1.37 -0.45 116.25 117.98 1x2n h VAL 21 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1x2n h VAL 21 Cb 0.77 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 1x2n h VAL 21 CO -0.00 0.00 -0.19 0.24 0.02 0.00 0.00 177.57 177.64 1x2n h MET 22 N -0.72 -0.10 0.06 1.57 2.86 -1.48 -1.55 114.93 115.56 1x2n h MET 22 Ca -0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1x2n h MET 22 Cb 0.72 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1x2n h MET 22 CO -0.28 -0.07 -0.44 0.00 1.06 0.00 0.00 176.91 177.19 1x2n h ARG 23 N -0.11 -0.57 -0.59 1.72 3.08 0.07 0.53 114.38 118.51 1x2n h ARG 23 Ca 0.20 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1x2n h ARG 23 Cb 0.42 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 1x2n h ARG 23 CO -0.48 -0.38 -0.33 1.03 -1.07 0.00 0.00 179.97 178.74 1x2n h SER 24 N -0.59 -1.14 0.04 7.04 0.87 -0.68 -0.46 113.55 118.63 1x2n h SER 24 Ca 0.00 0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1x2n h SER 24 Cb 0.61 0.57 -0.05 0.00 -0.44 0.00 0.00 62.40 63.09 1x2n h SER 24 CO -0.26 -0.30 -0.32 -0.25 -0.53 0.00 0.00 176.83 175.16 1x2n h TRP 25 N -0.16 -0.89 -0.61 2.24 7.01 -0.83 -0.90 115.95 121.81 1x2n h TRP 25 Ca 0.24 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.39 1x2n h TRP 25 Cb 0.55 0.39 -0.11 0.00 -2.10 0.00 0.00 29.16 27.89 1x2n h TRP 25 CO -0.63 -0.42 -0.08 1.25 -2.79 0.00 0.00 178.44 175.77 1x2n h LEU 26 N -0.50 -0.42 -0.48 0.65 5.85 0.25 -0.03 115.31 120.62 1x2n h LEU 26 Ca 0.05 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1x2n h LEU 26 Cb 0.57 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1x2n h LEU 26 CO -0.24 -0.16 0.26 -0.26 -0.34 0.00 0.00 178.44 177.69 1x2n h PHE 27 N 0.05 0.48 -0.29 1.25 0.04 -0.54 0.97 116.94 118.89 1x2n h PHE 27 Ca 0.31 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.11 1x2n h PHE 27 Cb 0.48 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1x2n h PHE 27 CO -0.43 0.25 0.20 1.96 -0.60 0.00 0.00 178.31 179.68 1x2n h GLN 28 N 0.51 0.31 -0.27 1.51 1.08 0.32 -2.24 115.11 116.33 1x2n h GLN 28 Ca 0.21 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.20 1x2n h GLN 28 Cb 0.09 -0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.31 1x2n h GLN 28 CO -0.13 0.21 -0.50 0.72 -0.95 0.00 0.00 178.83 178.17 1x2n n HIS 29 N -4.49 0.97 -0.29 2.96 8.25 -0.40 -4.81 115.22 117.41 1x2n n HIS 29 Ca 0.02 -1.75 0.10 0.00 -0.26 0.00 0.00 57.72 55.84 1x2n n HIS 29 Cb 0.13 -0.33 0.24 0.00 1.12 0.00 0.00 29.99 31.15 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 1.32 0.33 -0.49 1.59 6.09 0.16 0.83 117.51 127.33 1x2n h ILE 30 Ca 0.15 -0.06 0.08 0.00 -1.37 0.00 0.00 64.86 63.65 1x2n h ILE 30 Cb 1.24 0.13 -0.06 0.00 0.47 0.00 0.00 36.82 38.59 1x2n h ILE 30 CO 0.30 0.03 0.12 1.23 -3.07 0.00 0.00 178.15 176.76 1x2n h GLY 31 N 0.18 0.62 -6.70 8.18 0.00 -1.85 -3.33 103.07 100.16 1x2n h GLY 31 Ca 0.50 -0.05 -0.60 0.00 0.00 0.00 0.00 47.33 47.19 1x2n h GLY 31 CO -0.66 -0.04 -0.81 -1.58 0.00 0.00 0.00 176.54 173.45 1x2n s HIS 32 N -6.14 1.92 -1.17 5.60 5.65 0.20 -5.05 115.29 116.30 1x2n s HIS 32 Ca -0.13 -2.57 -0.23 0.00 0.25 0.00 0.00 55.06 52.38 1x2n s HIS 32 Cb 0.15 -1.60 -0.09 0.00 -1.18 0.00 0.00 32.58 29.86 1x2n s HIS 32 CO 0.73 -0.74 1.93 -0.35 -0.65 0.00 0.00 174.74 175.66 1x2n n PRO 33 N 2.84 1.60 -3.66 2.88 -0.04 -0.70 -4.84 135.00 133.07 1x2n n PRO 33 Ca 0.21 -2.45 -0.27 0.00 -0.04 0.00 0.00 63.50 60.95 1x2n n PRO 33 Cb 0.41 -3.70 -0.16 0.00 -0.04 0.00 0.00 33.50 30.01 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 10.79 0.65 0.39 0.54 1.51 -1.26 -4.99 117.35 124.97 1x2n s TYR 34 Ca 0.68 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 55.75 1x2n s TYR 34 Cb 0.00 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1x2n s TYR 34 CO 0.14 -0.63 1.20 -1.25 -1.11 0.00 0.00 175.55 173.89 1x2n s PRO 35 N 1.98 4.10 0.06 -1.71 0.04 -1.26 -5.03 135.00 133.19 1x2n s PRO 35 Ca 0.03 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1x2n s PRO 35 Cb -0.17 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1x2n s PRO 35 CO -0.15 -0.30 0.33 0.95 0.04 0.00 0.00 177.00 177.88 1x2n s THR 36 N -1.35 5.21 0.33 1.26 -4.23 -1.26 -4.88 115.64 110.71 1x2n s THR 36 Ca 0.56 0.20 0.23 0.00 -1.18 0.00 0.00 61.69 61.50 1x2n s THR 36 Cb -0.33 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.26 1x2n s THR 36 CO 0.41 0.26 1.20 -1.84 -0.54 0.00 0.00 174.62 174.11 1x2n n GLU 37 N 0.78 -0.03 -0.03 3.99 0.28 -1.26 0.24 120.64 124.60 1x2n n GLU 37 Ca -0.08 0.99 -0.15 0.00 -0.16 0.00 0.00 57.16 57.76 1x2n n GLU 37 Cb 0.52 -1.90 -0.09 0.00 1.43 0.00 0.00 31.44 31.40 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 0.42 -0.42 -1.84 5.19 -1.99 -2.94 116.42 114.84 1x2n h ASP 38 Ca 0.67 -0.64 0.05 0.00 -0.62 0.00 0.00 57.03 56.49 1x2n h ASP 38 Cb 2.07 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 41.41 1x2n h ASP 38 CO -0.42 0.99 0.17 -0.33 -3.12 0.00 0.00 179.24 176.53 1x2n h GLU 39 N -0.12 0.35 -0.59 3.56 4.39 0.27 0.21 114.58 122.65 1x2n h GLU 39 Ca -0.02 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1x2n h GLU 39 Cb 0.97 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1x2n h GLU 39 CO 0.07 0.23 0.39 0.87 -1.16 0.00 0.00 179.01 179.41 1x2n h LYS 40 N 0.36 0.74 0.15 2.33 1.57 -1.27 0.45 116.57 120.89 1x2n h LYS 40 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1x2n h LYS 40 Cb 0.15 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1x2n h LYS 40 CO -0.17 0.49 -0.07 0.87 -0.57 0.00 0.00 179.45 179.99 1x2n h LYS 41 N 0.76 -0.20 0.55 3.15 1.57 -1.10 -2.40 116.57 118.89 1x2n h LYS 41 Ca 0.22 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1x2n h LYS 41 Cb -0.03 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1x2n h LYS 41 CO -0.05 0.22 -0.26 1.96 -0.57 0.00 0.00 179.45 180.75 1x2n h GLN 42 N -0.90 -0.71 -0.46 3.15 4.20 -0.49 -3.07 115.11 116.84 1x2n h GLN 42 Ca -0.02 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.83 1x2n h GLN 42 Cb 0.51 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 1x2n h GLN 42 CO 0.03 -0.45 -0.10 0.82 -0.67 0.00 0.00 178.83 178.47 1x2n h ILE 43 N -0.78 0.56 -1.25 2.54 2.04 -0.26 0.26 117.51 120.61 1x2n h ILE 43 Ca -0.07 -0.01 0.39 0.00 1.00 0.00 0.00 64.86 66.17 1x2n h ILE 43 Cb 0.58 0.54 -0.12 0.00 -0.74 0.00 0.00 36.82 37.08 1x2n h ILE 43 CO 0.12 0.00 0.81 0.00 0.00 0.00 0.00 178.15 179.08 1x2n h ALA 44 N 1.45 2.62 0.14 1.87 0.00 -1.33 0.23 119.26 124.24 1x2n h ALA 44 Ca 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1x2n h ALA 44 Cb 0.34 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x2n h ALA 44 CO -0.46 -1.20 -0.07 0.00 0.00 0.00 0.00 179.25 177.53 1x2n h ALA 45 N 1.60 -0.30 -1.03 0.00 0.00 -0.91 1.48 119.26 120.11 1x2n h ALA 45 Ca 0.76 -0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.93 1x2n h ALA 45 Cb 2.32 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 20.05 1x2n h ALA 45 CO -0.38 -0.28 0.61 1.96 0.00 0.00 0.00 179.25 181.15 1x2n h GLN 46 N -0.59 0.40 0.00 0.00 4.20 -0.97 0.67 115.11 118.82 1x2n h GLN 46 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1x2n h GLN 46 Cb 0.14 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1x2n h GLN 46 CO 0.03 0.26 -0.96 0.25 -0.67 0.00 0.00 178.83 177.74 1x2n n THR 47 N -4.93 0.13 -3.10 -0.54 -2.24 0.72 -4.83 114.28 99.50 1x2n n THR 47 Ca 0.30 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 1x2n n THR 47 Cb 0.92 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.86 -5.38 -4.58 3.42 2.85 0.34 -4.68 115.26 105.37 1x2n n ASN 48 Ca 0.03 -0.32 -0.24 0.00 -0.11 0.00 0.00 54.58 53.93 1x2n n ASN 48 Cb 0.41 -4.11 -0.09 0.00 1.24 0.00 0.00 39.78 37.24 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 -5.73 2.98 0.23 1.20 1.43 0.42 -4.96 118.68 114.25 1x2n s LEU 49 Ca 0.35 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 1x2n s LEU 49 Cb -0.15 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 1x2n s LEU 49 CO 0.43 0.05 0.75 0.42 0.23 0.00 0.00 176.35 178.23 1x2n s THR 50 N -2.14 4.51 0.27 5.49 -4.23 -1.26 -4.33 115.64 113.96 1x2n s THR 50 Ca 0.29 1.38 0.14 0.00 -1.18 0.00 0.00 61.69 62.32 1x2n s THR 50 Cb -0.07 -3.90 0.26 0.00 1.34 0.00 0.00 72.50 70.14 1x2n s THR 50 CO 0.17 0.23 1.16 0.18 -0.54 0.00 0.00 174.62 175.82 1x2n n LEU 51 N 0.78 0.23 0.05 4.79 7.99 -1.26 0.17 117.00 129.75 1x2n n LEU 51 Ca -0.02 1.23 -0.13 0.00 -0.01 0.00 0.00 56.01 57.08 1x2n n LEU 51 Cb 0.51 -0.58 -0.08 0.00 -0.11 0.00 0.00 43.42 43.15 1x2n n LEU 51 CO 0.43 -1.36 0.70 0.25 -1.51 0.00 0.00 177.39 175.90 1x2n h LEU 52 N 0.00 -0.10 0.61 2.23 5.85 -1.96 -2.45 115.31 119.50 1x2n h LEU 52 Ca 0.61 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1x2n h LEU 52 Cb 1.59 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1x2n h LEU 52 CO -0.58 0.19 -0.48 1.56 -0.34 0.00 0.00 178.44 178.79 1x2n h GLN 53 N -0.39 -1.02 -0.94 1.25 1.08 0.13 0.11 115.11 115.33 1x2n h GLN 53 Ca -0.01 0.07 0.26 0.00 -1.45 0.00 0.00 58.65 57.51 1x2n h GLN 53 Cb 0.33 0.23 -0.14 0.00 -0.05 0.00 0.00 27.48 27.86 1x2n h GLN 53 CO 0.02 -0.68 0.43 0.28 -0.95 0.00 0.00 178.83 177.93 1x2n h VAL 54 N -1.06 0.39 0.55 -0.54 2.07 -1.30 -1.23 116.25 115.13 1x2n h VAL 54 Ca -0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1x2n h VAL 54 Cb 0.89 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1x2n h VAL 54 CO 0.01 0.06 -0.26 0.78 0.02 0.00 0.00 177.57 178.18 1x2n h ASN 55 N 0.36 -0.62 -0.83 0.57 2.35 -0.96 -2.83 115.58 113.62 1x2n h ASN 55 Ca 0.62 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.45 1x2n h ASN 55 Cb 1.27 0.16 -0.13 0.00 0.05 0.00 0.00 38.32 39.68 1x2n h ASN 55 CO -0.58 -0.22 -0.47 0.78 -1.65 0.00 0.00 177.43 175.29 1x2n h ASN 56 N -1.13 -1.69 -0.55 5.81 2.35 0.10 0.28 115.58 120.76 1x2n h ASN 56 Ca -0.07 0.29 0.11 0.00 -0.55 0.00 0.00 56.30 56.08 1x2n h ASN 56 Cb 0.61 0.79 -0.09 0.00 0.05 0.00 0.00 38.32 39.67 1x2n h ASN 56 CO 0.12 -0.29 -0.00 -0.25 -1.65 0.00 0.00 177.43 175.36 1x2n h TRP 57 N -0.09 -0.04 0.55 1.19 7.01 -1.34 -1.02 115.95 122.21 1x2n h TRP 57 Ca 0.22 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.24 1x2n h TRP 57 Cb 0.53 0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.70 1x2n h TRP 57 CO -0.86 -0.14 -0.27 0.74 -2.79 0.00 0.00 178.44 175.13 1x2n h PHE 58 N 0.11 -0.69 -0.96 2.65 0.04 -0.36 0.48 116.94 118.21 1x2n h PHE 58 Ca 0.28 -0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.29 1x2n h PHE 58 Cb 0.44 0.23 -0.13 0.00 2.20 0.00 0.00 35.95 38.69 1x2n h PHE 58 CO -0.34 -0.42 0.51 0.82 -0.60 0.00 0.00 178.31 178.27 1x2n h ILE 59 N -0.76 0.47 0.08 -0.55 2.04 -0.05 0.29 117.51 119.03 1x2n h ILE 59 Ca -0.08 -0.16 -0.25 0.00 1.00 0.00 0.00 64.86 65.37 1x2n h ILE 59 Cb 0.58 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1x2n h ILE 59 CO 0.12 0.09 -1.12 -1.13 0.00 0.00 0.00 178.15 176.11 1x2n h ASN 60 N 0.47 0.38 0.15 1.72 -1.24 -0.90 -3.29 115.58 112.87 1x2n h ASN 60 Ca 0.63 -0.37 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1x2n h ASN 60 Cb 1.23 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1x2n h ASN 60 CO -0.52 1.25 -0.07 0.00 -1.29 0.00 0.00 177.43 176.80 1x2n h ALA 61 N 0.70 -0.21 0.00 1.57 0.00 0.32 -1.71 119.26 119.94 1x2n h ALA 61 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x2n h ALA 61 Cb 1.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1x2n h ALA 61 CO 0.18 -0.53 0.13 0.07 0.00 0.00 0.00 179.25 179.11 1x2n h ARG 62 N -0.39 0.00 0.04 0.00 0.11 -0.73 -1.23 114.38 112.19 1x2n h ARG 62 Ca -0.02 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.82 1x2n h ARG 62 Cb 0.31 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 1x2n h ARG 62 CO 0.03 0.00 -1.26 0.00 0.10 0.00 0.00 179.97 178.84 1x2n h ARG 63 N 0.00 0.09 -0.29 0.08 3.08 -1.47 -2.84 114.38 113.04 1x2n h ARG 63 Ca 0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1x2n h ARG 63 Cb 0.27 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1x2n h ARG 63 CO 0.00 1.07 0.05 0.07 -1.07 0.00 0.00 179.97 180.09 1x2n h ARG 64 N -0.70 0.41 0.00 0.04 0.11 -0.40 0.08 114.38 113.93 1x2n h ARG 64 Ca -0.31 -0.06 -0.22 0.00 0.10 0.00 0.00 59.98 59.48 1x2n h ARG 64 Cb 1.47 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.45 1x2n h ARG 64 CO -0.09 0.41 -1.10 -0.84 0.10 0.00 0.00 179.97 178.45 1x2n h ILE 65 N 0.41 1.60 -0.11 0.08 3.07 -1.43 -3.31 117.51 117.82 1x2n h ILE 65 Ca 0.10 -3.33 -0.16 0.00 1.55 0.00 0.00 64.86 63.02 1x2n h ILE 65 Cb 0.20 2.79 0.01 0.00 -0.27 0.00 0.00 36.82 39.55 1x2n h ILE 65 CO -0.00 0.91 -0.54 -0.07 -1.05 0.00 0.00 178.15 177.40 1x2n h LEU 66 N 0.00 0.67 -6.94 0.16 3.38 -1.16 -3.45 115.31 107.98 1x2n h LEU 66 Ca -0.05 -0.64 -0.09 0.00 0.09 0.00 0.00 57.88 57.19 1x2n h LEU 66 Cb 1.81 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 42.08 1x2n h LEU 66 CO 0.12 1.20 -0.38 -1.58 0.09 0.00 0.00 178.44 177.90 1x2n s GLN 67 N -3.70 0.35 0.40 1.13 0.74 -0.03 -5.08 119.66 113.46 1x2n s GLN 67 Ca -0.12 0.95 0.07 0.00 0.05 0.00 0.00 55.36 56.31 1x2n s GLN 67 Cb 0.06 0.20 -0.08 0.00 1.10 0.00 0.00 33.01 34.29 1x2n s GLN 67 CO 0.84 -0.34 -0.01 0.45 -0.55 0.00 0.00 175.29 175.68 1x2n s SER 68 N 2.62 3.86 0.14 6.67 0.15 -1.25 -4.39 113.70 121.51 1x2n s SER 68 Ca 0.02 -1.33 -0.10 0.00 0.70 0.00 0.00 55.95 55.24 1x2n s SER 68 Cb -0.13 -0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 63.73 1x2n s SER 68 CO -0.14 -0.40 0.46 -0.83 1.20 0.00 0.00 173.24 173.53 1x2n s GLY 69 N -3.69 2.33 0.16 9.45 0.00 -1.26 -5.05 107.32 109.25 1x2n s GLY 69 Ca 0.35 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.42 1x2n s GLY 69 CO 0.18 -0.16 1.33 2.56 0.00 0.00 0.00 173.10 177.00 1x2n s PRO 70 N -2.31 4.37 -0.01 2.90 0.04 -1.26 -5.03 135.00 133.70 1x2n s PRO 70 Ca 0.39 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1x2n s PRO 70 Cb -0.13 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1x2n s PRO 70 CO 0.20 -0.32 0.03 0.45 0.04 0.00 0.00 177.00 177.40 1x2n s SER 71 N 0.66 -0.03 -0.46 6.66 0.15 -1.26 -5.12 113.70 114.31 1x2n s SER 71 Ca 0.60 0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1x2n s SER 71 Cb -0.36 0.05 0.12 0.00 -1.71 0.00 0.00 66.02 64.12 1x2n s SER 71 CO 0.35 -0.01 0.19 -0.44 1.20 0.00 0.00 173.24 174.53 1x2n s SER 72 N 0.01 4.41 0.00 5.45 0.01 -1.26 -5.32 113.70 116.99 1x2n s SER 72 Ca -0.00 -2.71 0.00 0.00 1.31 0.00 0.00 55.95 54.55 1x2n s SER 72 Cb -0.00 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1x2n s SER 72 CO 0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98