#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 3.25 0.09 1.61 0.01 -1.26 -5.02 113.70 112.39 1x2n s SER 2 Ca 0.00 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.49 1x2n s SER 2 Cb 0.00 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.67 1x2n s SER 2 CO 0.00 0.04 1.56 -1.28 0.41 0.00 0.00 173.24 173.97 1x2n h SER 3 N 7.60 0.45 0.00 2.44 0.87 -2.03 -3.48 113.55 119.41 1x2n h SER 3 Ca -0.38 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1x2n h SER 3 Cb 1.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1x2n h SER 3 CO 0.59 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 1x2n n GLY 4 N -0.42 0.92 0.08 5.77 0.00 -1.26 -4.95 105.19 105.32 1x2n n GLY 4 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1x2n n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x2n h SER 5 N 0.00 0.09 -3.17 1.61 0.87 -2.02 -3.43 113.55 107.51 1x2n h SER 5 Ca 0.00 -0.85 -0.56 0.00 -1.23 0.00 0.00 61.79 59.16 1x2n h SER 5 Cb 0.00 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 1x2n h SER 5 CO 0.00 0.93 1.07 -0.55 -0.53 0.00 0.00 176.83 177.75 1x2n s SER 6 N -6.20 6.28 -1.28 6.23 0.15 -1.26 -4.93 113.70 112.69 1x2n s SER 6 Ca -0.17 0.60 -0.12 0.00 0.70 0.00 0.00 55.95 56.95 1x2n s SER 6 Cb -0.01 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 1x2n s SER 6 CO 0.71 -1.52 1.76 0.61 1.20 0.00 0.00 173.24 176.00 1x2n n GLY 7 N 5.13 3.98 3.63 9.45 0.00 -1.26 -4.97 105.19 121.15 1x2n n GLY 7 Ca 0.15 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 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 1.61 3.85 -1.50 1.61 1.02 -1.26 -3.24 119.74 121.83 1x2n s LYS 8 Ca 0.43 1.63 -0.08 0.00 0.02 0.00 0.00 55.97 57.97 1x2n s LYS 8 Cb 0.05 -4.00 0.06 0.00 -0.52 0.00 0.00 37.83 33.43 1x2n s LYS 8 CO 0.00 -1.22 0.70 0.09 -0.92 0.00 0.00 175.35 174.00 1x2n n ASN 9 N 8.17 -2.32 -0.40 2.83 4.13 -1.26 -4.84 115.26 121.57 1x2n n ASN 9 Ca 0.18 -0.92 -0.06 0.00 1.68 0.00 0.00 54.58 55.45 1x2n n ASN 9 Cb 0.45 -3.34 -0.03 0.00 -1.54 0.00 0.00 39.78 35.31 1x2n n ASN 9 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x2n n LYS 10 N -4.45 -0.34 -1.65 3.52 5.02 -1.20 -4.40 118.16 114.66 1x2n n LYS 10 Ca -0.12 1.52 -0.53 0.00 -2.02 0.00 0.00 58.31 57.15 1x2n n LYS 10 Cb 0.60 -2.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 1x2n n LYS 10 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x2n n ARG 11 N -5.35 1.33 -3.64 1.97 3.00 -1.26 -4.91 116.66 107.79 1x2n n ARG 11 Ca 0.06 0.48 -0.02 0.00 -0.00 0.00 0.00 57.85 58.37 1x2n n ARG 11 Cb 0.32 -2.17 -0.02 0.00 0.00 0.00 0.00 32.46 30.59 1x2n n ARG 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x2n s GLY 12 N 2.00 -0.18 -0.02 5.14 0.00 -1.26 -5.17 107.32 107.84 1x2n s GLY 12 Ca 0.90 1.97 0.02 0.00 0.00 0.00 0.00 44.72 47.62 1x2n s GLY 12 CO 0.54 0.67 -0.06 -1.34 0.00 0.00 0.00 173.10 172.91 1x2n s VAL 13 N -1.98 3.70 0.16 1.40 -7.23 -1.26 -5.13 120.40 110.06 1x2n s VAL 13 Ca 0.11 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 59.71 1x2n s VAL 13 Cb -0.01 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1x2n s VAL 13 CO -0.03 0.45 -0.24 -0.76 -0.31 0.00 0.00 175.10 174.21 1x2n s LEU 14 N -1.26 2.39 0.69 1.32 1.43 -1.26 -5.14 118.68 116.86 1x2n s LEU 14 Ca 0.16 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 1x2n s LEU 14 Cb -0.11 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1x2n s LEU 14 CO 0.06 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.69 1x2n s PRO 15 N -2.44 2.63 0.20 1.29 0.04 -1.26 -4.90 135.00 130.57 1x2n s PRO 15 Ca 0.17 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 1x2n s PRO 15 Cb -0.08 -1.93 0.27 0.00 0.04 0.00 0.00 34.50 32.79 1x2n s PRO 15 CO 0.08 -1.37 1.71 -0.22 0.04 0.00 0.00 177.00 177.24 1x2n h LYS 16 N -0.33 0.27 -0.26 4.56 1.63 -2.00 -1.94 116.57 118.51 1x2n h LYS 16 Ca -0.46 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.39 1x2n h LYS 16 Cb 1.24 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.75 1x2n h LYS 16 CO 0.53 0.18 -0.17 1.25 -3.45 0.00 0.00 179.45 177.79 1x2n h HIS 17 N 0.28 -0.43 -0.59 1.91 2.76 -1.97 -0.09 115.15 117.02 1x2n h HIS 17 Ca 0.30 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.62 1x2n h HIS 17 Cb 0.42 0.23 -0.11 0.00 1.55 0.00 0.00 27.41 29.50 1x2n h HIS 17 CO -0.23 -0.24 -0.13 0.00 -1.30 0.00 0.00 177.93 176.03 1x2n h ALA 18 N 1.01 0.41 -0.57 5.26 0.00 -1.61 0.59 119.26 124.34 1x2n h ALA 18 Ca 0.14 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1x2n h ALA 18 Cb 0.37 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1x2n h ALA 18 CO -0.35 -0.43 0.11 1.79 0.00 0.00 0.00 179.25 180.37 1x2n h THR 19 N 0.01 1.24 0.52 0.00 1.35 -1.11 -2.53 112.91 112.40 1x2n h THR 19 Ca 0.29 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1x2n h THR 19 Cb 0.44 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1x2n h THR 19 CO -0.60 0.34 -0.48 0.78 -0.25 0.00 0.00 175.52 175.31 1x2n h ASN 20 N 0.86 -1.32 0.39 5.36 2.35 0.95 0.45 115.58 124.62 1x2n h ASN 20 Ca 0.18 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1x2n h ASN 20 Cb 0.36 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1x2n h ASN 20 CO 0.00 -0.65 -0.50 0.58 -1.65 0.00 0.00 177.43 175.21 1x2n h VAL 21 N -0.99 0.00 -0.89 2.81 2.07 -1.32 -0.74 116.25 117.20 1x2n h VAL 21 Ca -0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1x2n h VAL 21 Cb 0.85 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 1x2n h VAL 21 CO -0.04 0.00 0.45 0.24 0.02 0.00 0.00 177.57 178.24 1x2n h MET 22 N -0.92 0.57 0.65 1.57 2.86 -1.43 -1.67 114.93 116.57 1x2n h MET 22 Ca -0.05 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1x2n h MET 22 Cb 0.82 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1x2n h MET 22 CO -0.12 0.37 -0.40 0.00 1.06 0.00 0.00 176.91 177.82 1x2n h ARG 23 N 0.58 -0.95 -0.49 1.72 3.08 0.50 -0.08 114.38 118.74 1x2n h ARG 23 Ca 0.51 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.71 1x2n h ARG 23 Cb 0.81 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 30.97 1x2n h ARG 23 CO -0.41 -0.63 -0.33 1.03 -1.07 0.00 0.00 179.97 178.55 1x2n h SER 24 N -0.99 -1.13 0.03 7.04 0.87 -0.66 -0.98 113.55 117.72 1x2n h SER 24 Ca -0.09 0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1x2n h SER 24 Cb 0.79 0.55 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 1x2n h SER 24 CO 0.09 -0.31 -0.33 -0.25 -0.53 0.00 0.00 176.83 175.50 1x2n h TRP 25 N -0.21 -0.90 -0.73 2.24 7.01 -1.25 -0.81 115.95 121.30 1x2n h TRP 25 Ca 0.20 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.39 1x2n h TRP 25 Cb 0.54 0.39 -0.12 0.00 -2.10 0.00 0.00 29.16 27.87 1x2n h TRP 25 CO -0.59 -0.42 0.03 1.25 -2.79 0.00 0.00 178.44 175.91 1x2n h LEU 26 N -0.50 -0.29 -0.40 0.65 5.85 -0.09 0.69 115.31 121.22 1x2n h LEU 26 Ca 0.05 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1x2n h LEU 26 Cb 0.57 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1x2n h LEU 26 CO -0.25 -0.16 0.24 -0.26 -0.34 0.00 0.00 178.44 177.68 1x2n h PHE 27 N 0.12 0.53 -0.52 1.25 0.04 -0.52 0.79 116.94 118.63 1x2n h PHE 27 Ca 0.40 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.26 1x2n h PHE 27 Cb 0.70 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1x2n h PHE 27 CO -0.39 0.37 0.35 1.96 -0.60 0.00 0.00 178.31 180.00 1x2n h GLN 28 N 0.53 0.34 -0.26 1.51 1.08 0.51 -1.96 115.11 116.85 1x2n h GLN 28 Ca 0.14 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.13 1x2n h GLN 28 Cb -0.00 -0.08 -0.16 0.00 -0.05 0.00 0.00 27.48 27.20 1x2n h GLN 28 CO -0.03 0.22 -0.62 0.72 -0.95 0.00 0.00 178.83 178.18 1x2n n HIS 29 N -4.47 0.95 -0.27 2.96 8.25 -0.47 -4.83 115.22 117.34 1x2n n HIS 29 Ca 0.08 -1.74 0.06 0.00 -0.26 0.00 0.00 57.72 55.87 1x2n n HIS 29 Cb 0.34 -0.28 0.18 0.00 1.12 0.00 0.00 29.99 31.35 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 1.52 0.31 -0.73 1.59 6.09 0.14 0.13 117.51 126.56 1x2n h ILE 30 Ca 0.12 -0.04 0.14 0.00 -1.37 0.00 0.00 64.86 63.72 1x2n h ILE 30 Cb 1.20 0.20 -0.09 0.00 0.47 0.00 0.00 36.82 38.59 1x2n h ILE 30 CO 0.26 0.02 0.27 1.23 -3.07 0.00 0.00 178.15 176.86 1x2n h GLY 31 N 0.10 1.08 -6.68 8.18 0.00 -1.85 -3.31 103.07 100.60 1x2n h GLY 31 Ca 0.44 -0.12 -0.60 0.00 0.00 0.00 0.00 47.33 47.05 1x2n h GLY 31 CO -0.69 -0.11 -0.83 -1.58 0.00 0.00 0.00 176.54 173.33 1x2n s HIS 32 N -6.03 1.57 -1.16 5.60 2.46 0.39 -5.05 115.29 113.07 1x2n s HIS 32 Ca -0.13 -2.33 -0.23 0.00 0.47 0.00 0.00 55.06 52.85 1x2n s HIS 32 Cb 0.20 -1.41 -0.09 0.00 -0.13 0.00 0.00 32.58 31.15 1x2n s HIS 32 CO 0.76 -0.78 1.93 -0.35 -2.47 0.00 0.00 174.74 173.83 1x2n n PRO 33 N 3.19 1.59 -3.65 2.88 -0.04 -0.84 -4.84 135.00 133.29 1x2n n PRO 33 Ca 0.19 -2.43 -0.27 0.00 -0.04 0.00 0.00 63.50 60.95 1x2n n PRO 33 Cb 0.40 -3.68 -0.16 0.00 -0.04 0.00 0.00 33.50 30.02 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 10.66 0.63 0.26 0.54 1.51 -1.26 -4.99 117.35 124.69 1x2n s TYR 34 Ca 0.68 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1x2n s TYR 34 Cb 0.00 -0.93 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1x2n s TYR 34 CO 0.14 -0.64 1.26 -1.25 -1.11 0.00 0.00 175.55 173.95 1x2n s PRO 35 N 1.99 4.43 0.22 -1.71 0.04 -1.26 -5.02 135.00 133.69 1x2n s PRO 35 Ca 0.03 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 1x2n s PRO 35 Cb -0.16 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.14 1x2n s PRO 35 CO -0.15 -0.13 0.73 0.95 0.04 0.00 0.00 177.00 178.44 1x2n s THR 36 N -0.54 4.54 0.33 1.26 -4.23 -1.26 -4.84 115.64 110.89 1x2n s THR 36 Ca 0.52 1.34 0.22 0.00 -1.18 0.00 0.00 61.69 62.59 1x2n s THR 36 Cb -0.36 -3.89 0.35 0.00 1.34 0.00 0.00 72.50 69.93 1x2n s THR 36 CO 0.43 0.25 1.22 -0.62 -0.54 0.00 0.00 174.62 175.36 1x2n n GLU 37 N 0.83 -0.03 -0.01 3.99 -0.58 -1.26 0.24 120.64 123.81 1x2n n GLU 37 Ca -0.03 1.01 -0.17 0.00 -0.42 0.00 0.00 57.16 57.56 1x2n n GLU 37 Cb 0.51 -1.93 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1x2n h ASP 38 N 0.00 0.53 -0.79 1.62 5.19 -2.00 -3.07 116.42 117.91 1x2n h ASP 38 Ca 0.68 -0.70 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 1x2n h ASP 38 Cb 2.06 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 41.34 1x2n h ASP 38 CO -0.45 1.16 0.45 -0.33 -3.12 0.00 0.00 179.24 176.95 1x2n h GLU 39 N -0.05 0.76 -0.79 3.56 4.39 0.26 0.21 114.58 122.93 1x2n h GLU 39 Ca -0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1x2n h GLU 39 Cb 1.20 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1x2n h GLU 39 CO 0.10 0.50 0.42 0.87 -1.16 0.00 0.00 179.01 179.75 1x2n h LYS 40 N 0.78 1.11 0.23 2.33 1.57 -1.27 0.40 116.57 121.72 1x2n h LYS 40 Ca 0.37 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1x2n h LYS 40 Cb 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1x2n h LYS 40 CO -0.22 0.83 -0.11 0.87 -0.57 0.00 0.00 179.45 180.24 1x2n h LYS 41 N 1.10 -0.30 0.43 3.15 1.57 -1.19 -1.98 116.57 119.34 1x2n h LYS 41 Ca 0.28 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1x2n h LYS 41 Cb 0.05 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1x2n h LYS 41 CO -0.04 0.08 -0.22 1.96 -0.57 0.00 0.00 179.45 180.65 1x2n h GLN 42 N -0.82 -0.58 -0.55 3.15 1.08 -0.58 -2.93 115.11 113.88 1x2n h GLN 42 Ca -0.03 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.31 1x2n h GLN 42 Cb 0.51 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 1x2n h GLN 42 CO 0.05 -0.39 0.08 0.82 -0.95 0.00 0.00 178.83 178.44 1x2n h ILE 43 N -0.60 0.63 -1.12 2.54 2.04 -0.32 -0.38 117.51 120.31 1x2n h ILE 43 Ca -0.05 -0.07 0.37 0.00 1.00 0.00 0.00 64.86 66.10 1x2n h ILE 43 Cb 0.47 0.41 -0.14 0.00 -0.74 0.00 0.00 36.82 36.83 1x2n h ILE 43 CO 0.08 0.04 0.68 0.00 0.00 0.00 0.00 178.15 178.94 1x2n h ALA 44 N 1.46 2.28 0.17 1.87 0.00 -1.16 0.26 119.26 124.14 1x2n h ALA 44 Ca 0.29 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1x2n h ALA 44 Cb 0.43 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x2n h ALA 44 CO -0.40 -0.90 -0.08 0.00 0.00 0.00 0.00 179.25 177.86 1x2n h ALA 45 N 1.75 -0.43 -1.10 0.00 0.00 -1.04 1.47 119.26 119.91 1x2n h ALA 45 Ca 0.76 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.94 1x2n h ALA 45 Cb 2.03 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.80 1x2n h ALA 45 CO -0.52 -0.41 0.69 1.96 0.00 0.00 0.00 179.25 180.97 1x2n h GLN 46 N -0.53 0.30 -0.00 0.00 4.20 -1.12 0.98 115.11 118.94 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 0.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1x2n h GLN 46 CO 0.04 0.20 -0.76 0.25 -0.67 0.00 0.00 178.83 177.89 1x2n n THR 47 N -4.76 0.00 -3.21 -0.54 -2.24 0.84 -4.82 114.28 99.55 1x2n n THR 47 Ca 0.30 -0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.81 1x2n n THR 47 Cb 1.04 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 70.08 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 -1.29 -5.53 -4.64 3.42 2.85 0.42 -4.61 115.26 105.88 1x2n n ASN 48 Ca 0.05 -0.36 -0.23 0.00 -0.11 0.00 0.00 54.58 53.93 1x2n n ASN 48 Cb 0.35 -4.47 -0.07 0.00 1.24 0.00 0.00 39.78 36.83 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 -6.74 3.18 0.19 1.20 1.43 0.30 -4.96 118.68 113.28 1x2n s LEU 49 Ca 0.37 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 1x2n s LEU 49 Cb -0.18 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1x2n s LEU 49 CO 0.46 0.01 0.72 0.42 0.23 0.00 0.00 176.35 178.19 1x2n s THR 50 N -2.29 4.53 0.28 5.49 -4.23 -1.26 -4.40 115.64 113.76 1x2n s THR 50 Ca 0.31 1.39 0.18 0.00 -1.18 0.00 0.00 61.69 62.39 1x2n s THR 50 Cb -0.07 -3.94 0.29 0.00 1.34 0.00 0.00 72.50 70.13 1x2n s THR 50 CO 0.20 0.34 1.11 0.18 -0.54 0.00 0.00 174.62 175.91 1x2n n LEU 51 N 1.08 0.21 0.03 4.79 7.99 -1.26 0.20 117.00 130.04 1x2n n LEU 51 Ca -0.04 1.10 -0.13 0.00 -0.01 0.00 0.00 56.01 56.93 1x2n n LEU 51 Cb 0.50 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 43.19 1x2n n LEU 51 CO 0.44 -1.22 0.72 0.25 -1.51 0.00 0.00 177.39 176.06 1x2n h LEU 52 N 0.00 -0.04 0.73 2.23 5.85 -1.96 -2.54 115.31 119.57 1x2n h LEU 52 Ca 0.61 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 1x2n h LEU 52 Cb 1.76 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1x2n h LEU 52 CO -0.46 0.25 -0.49 1.56 -0.34 0.00 0.00 178.44 178.96 1x2n h GLN 53 N -0.34 -1.11 -1.08 1.25 4.20 0.19 0.18 115.11 118.40 1x2n h GLN 53 Ca -0.00 0.08 0.31 0.00 0.06 0.00 0.00 58.65 59.10 1x2n h GLN 53 Cb 0.31 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.22 1x2n h GLN 53 CO 0.01 -0.74 0.66 0.28 -0.67 0.00 0.00 178.83 178.37 1x2n h VAL 54 N -1.15 0.37 0.21 -0.54 2.07 -1.40 -0.66 116.25 115.14 1x2n h VAL 54 Ca -0.10 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x2n h VAL 54 Cb 0.94 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x2n h VAL 54 CO 0.07 0.06 -0.10 0.78 0.02 0.00 0.00 177.57 178.40 1x2n h ASN 55 N 0.34 -0.23 -0.57 0.57 2.35 -0.98 -3.02 115.58 114.03 1x2n h ASN 55 Ca 0.69 -0.26 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1x2n h ASN 55 Cb 1.73 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 40.06 1x2n h ASN 55 CO -0.45 0.30 -0.40 0.78 -1.65 0.00 0.00 177.43 176.01 1x2n h ASN 56 N -0.93 -1.38 -0.43 5.81 2.35 0.61 0.19 115.58 121.80 1x2n h ASN 56 Ca -0.03 0.24 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1x2n h ASN 56 Cb 0.48 0.64 -0.09 0.00 0.05 0.00 0.00 38.32 39.41 1x2n h ASN 56 CO 0.05 -0.33 -0.15 -0.25 -1.65 0.00 0.00 177.43 175.10 1x2n h TRP 57 N -0.21 -0.35 0.57 1.19 7.01 -1.29 -1.04 115.95 121.83 1x2n h TRP 57 Ca 0.19 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 1x2n h TRP 57 Cb 0.56 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1x2n h TRP 57 CO -0.68 -0.23 -0.35 0.74 -2.79 0.00 0.00 178.44 175.13 1x2n h PHE 58 N -0.05 -0.93 -0.91 2.65 0.04 -0.95 -0.37 116.94 116.41 1x2n h PHE 58 Ca 0.21 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.22 1x2n h PHE 58 Cb 0.37 0.33 -0.14 0.00 2.20 0.00 0.00 35.95 38.72 1x2n h PHE 58 CO -0.41 -0.54 0.36 0.82 -0.60 0.00 0.00 178.31 177.94 1x2n h ILE 59 N -0.87 0.36 -0.36 -0.55 2.04 -0.24 0.40 117.51 118.29 1x2n h ILE 59 Ca -0.07 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 1x2n h ILE 59 Cb 0.71 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1x2n h ILE 59 CO 0.07 0.05 -0.35 -1.13 0.00 0.00 0.00 178.15 176.79 1x2n h ASN 60 N 0.29 0.88 0.10 1.72 -1.24 -0.83 -3.18 115.58 113.31 1x2n h ASN 60 Ca 0.60 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1x2n h ASN 60 Cb 1.23 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1x2n h ASN 60 CO -0.61 1.14 -0.05 0.00 -1.29 0.00 0.00 177.43 176.62 1x2n h ALA 61 N 0.91 -0.13 -0.77 1.57 0.00 0.15 -2.83 119.26 118.16 1x2n h ALA 61 Ca 0.07 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1x2n h ALA 61 Cb 0.91 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 1x2n h ALA 61 CO 0.08 -0.55 0.15 0.00 0.00 0.00 0.00 179.25 178.93 1x2n h ARG 62 N -0.17 0.21 -0.17 0.00 3.08 -1.07 0.60 114.38 116.85 1x2n h ARG 62 Ca -0.01 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1x2n h ARG 62 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1x2n h ARG 62 CO 0.02 0.14 0.12 0.00 -1.07 0.00 0.00 179.97 179.17 1x2n h ARG 63 N 0.21 0.16 0.18 0.04 3.08 -1.49 0.35 114.38 116.92 1x2n h ARG 63 Ca 0.45 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.48 1x2n h ARG 63 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1x2n h ARG 63 CO -0.58 0.11 -0.09 0.00 -1.07 0.00 0.00 179.97 178.34 1x2n h ARG 64 N 0.17 -0.24 -0.40 0.04 3.08 0.35 -0.55 114.38 116.83 1x2n h ARG 64 Ca 0.07 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1x2n h ARG 64 Cb 0.07 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1x2n h ARG 64 CO -0.01 0.17 0.01 -0.84 -1.07 0.00 0.00 179.97 178.22 1x2n h ILE 65 N -0.87 1.22 -0.04 2.04 3.07 -1.02 -3.06 117.51 118.84 1x2n h ILE 65 Ca -0.03 -0.87 -0.02 0.00 1.55 0.00 0.00 64.86 65.50 1x2n h ILE 65 Cb 0.51 0.90 -0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1x2n h ILE 65 CO 0.04 0.30 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.33 1x2n h LEU 66 N 0.61 0.11 -8.23 0.16 3.38 -0.38 -3.39 115.31 107.56 1x2n h LEU 66 Ca 0.13 -0.50 -0.62 0.00 0.09 0.00 0.00 57.88 56.97 1x2n h LEU 66 Cb 0.37 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 1x2n h LEU 66 CO 0.01 0.59 0.72 -1.10 0.09 0.00 0.00 178.44 178.75 1x2n s GLN 67 N -4.20 3.21 0.55 1.13 -0.21 -0.21 -5.01 119.66 114.92 1x2n s GLN 67 Ca -0.15 -0.85 0.09 0.00 0.02 0.00 0.00 55.36 54.47 1x2n s GLN 67 Cb 0.02 -4.36 0.08 0.00 1.00 0.00 0.00 33.01 29.75 1x2n s GLN 67 CO 0.70 -1.89 0.76 0.45 -2.12 0.00 0.00 175.29 173.19 1x2n s SER 68 N 3.76 5.17 0.00 5.90 0.15 -1.26 -4.74 113.70 122.68 1x2n s SER 68 Ca 0.27 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1x2n s SER 68 Cb -0.13 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1x2n s SER 68 CO 0.08 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1x2n n GLY 69 N -2.19 2.29 0.24 9.45 0.00 -1.26 -4.76 105.19 108.96 1x2n n GLY 69 Ca 0.15 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1x2n n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2n h PRO 70 N 0.00 0.00 -5.30 1.61 0.13 -2.06 -3.47 132.00 122.91 1x2n h PRO 70 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1x2n h PRO 70 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1x2n h PRO 70 CO 0.00 0.18 -0.62 0.45 -0.23 0.00 0.00 178.00 177.78 1x2n n SER 71 N -3.41 -5.08 -4.65 1.44 2.88 -1.26 -4.94 113.62 98.60 1x2n n SER 71 Ca -0.00 -0.50 -0.43 0.00 -1.33 0.00 0.00 58.87 56.61 1x2n n SER 71 Cb 0.37 -4.56 -0.02 0.00 -0.75 0.00 0.00 64.21 59.25 1x2n n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2n s SER 72 N -3.49 6.97 0.00 -3.46 0.15 -1.26 -5.29 113.70 107.32 1x2n s SER 72 Ca 0.41 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1x2n s SER 72 Cb -0.18 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1x2n s SER 72 CO 0.65 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.90