#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2n n SER 2 N 0.00 -4.63 0.33 1.61 7.64 -1.26 -4.91 113.62 112.41 1x2n n SER 2 Ca 0.00 -0.70 -0.17 0.00 1.01 0.00 0.00 58.87 59.01 1x2n n SER 2 Cb 0.00 -4.35 -0.09 0.00 -1.01 0.00 0.00 64.21 58.76 1x2n n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x2n h SER 3 N -2.25 -0.69 -3.38 6.43 4.64 -2.10 -3.49 113.55 112.70 1x2n h SER 3 Ca -0.58 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1x2n h SER 3 Cb 1.37 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1x2n h SER 3 CO 0.61 -0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1x2n n GLY 4 N -1.23 -1.60 3.49 -0.77 0.00 -1.26 -5.07 105.19 98.74 1x2n n GLY 4 Ca -0.13 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 1x2n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2n s SER 5 N -4.00 -0.54 -0.12 1.61 0.15 -1.26 -5.16 113.70 104.37 1x2n s SER 5 Ca 0.00 0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.94 1x2n s SER 5 Cb 0.00 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1x2n s SER 5 CO 0.00 -0.71 -0.06 -0.44 1.20 0.00 0.00 173.24 173.23 1x2n s SER 6 N -1.95 4.66 -1.20 5.45 0.01 -1.26 -5.05 113.70 114.36 1x2n s SER 6 Ca -0.03 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 1x2n s SER 6 Cb -0.01 -1.56 0.20 0.00 0.21 0.00 0.00 66.02 64.87 1x2n s SER 6 CO -0.02 0.24 1.53 0.61 0.41 0.00 0.00 173.24 176.00 1x2n n GLY 7 N 3.07 4.14 0.41 3.44 0.00 -1.26 -4.82 105.19 110.17 1x2n n GLY 7 Ca -0.18 -2.21 -0.16 0.00 0.00 0.00 0.00 46.02 43.48 1x2n n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x2n h LYS 8 N 6.43 -0.98 -1.24 1.61 6.56 -2.06 -3.45 116.57 123.45 1x2n h LYS 8 Ca 0.31 0.07 0.09 0.00 -1.06 0.00 0.00 60.65 60.06 1x2n h LYS 8 Cb 0.77 0.22 -0.21 0.00 -0.57 0.00 0.00 32.23 32.44 1x2n h LYS 8 CO 1.34 -0.64 -0.21 1.21 -2.06 0.00 0.00 179.45 179.08 1x2n s ASN 9 N -4.39 -1.29 0.10 0.86 2.47 -1.26 -5.17 114.94 106.27 1x2n s ASN 9 Ca -0.16 1.04 0.05 0.00 0.42 0.00 0.00 52.86 54.22 1x2n s ASN 9 Cb 0.02 2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 41.96 1x2n s ASN 9 CO 0.48 -0.24 -0.14 -0.54 -3.72 0.00 0.00 177.10 172.94 1x2n s LYS 10 N 2.87 0.93 0.01 0.43 3.01 -1.26 -5.16 119.74 120.57 1x2n s LYS 10 Ca 0.13 -1.12 0.00 0.00 -1.01 0.00 0.00 55.97 53.97 1x2n s LYS 10 Cb -0.14 -0.86 -0.01 0.00 -1.01 0.00 0.00 37.83 35.81 1x2n s LYS 10 CO -0.20 0.17 -0.02 -0.98 0.51 0.00 0.00 175.35 174.83 1x2n s ARG 11 N -2.30 0.22 0.00 1.68 1.70 -1.26 -5.14 118.95 113.85 1x2n s ARG 11 Ca 0.04 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 1x2n s ARG 11 Cb -0.07 -0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 1x2n s ARG 11 CO 0.02 -0.00 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 1x2n n GLY 12 N 2.35 3.83 3.11 3.88 0.00 -1.26 -5.16 105.19 111.94 1x2n n GLY 12 Ca -0.18 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1x2n n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2n s VAL 13 N -2.00 1.00 0.16 1.61 0.11 -1.26 -5.16 120.40 114.87 1x2n s VAL 13 Ca 0.00 -0.81 0.10 0.00 -2.93 0.00 0.00 61.98 58.34 1x2n s VAL 13 Cb 0.00 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1x2n s VAL 13 CO 0.00 0.08 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.86 1x2n s LEU 14 N -0.83 2.39 0.79 2.54 1.43 -1.26 -5.14 118.68 118.60 1x2n s LEU 14 Ca 0.02 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1x2n s LEU 14 Cb -0.07 -1.09 0.07 0.00 0.03 0.00 0.00 46.19 45.13 1x2n s LEU 14 CO 0.01 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1x2n s PRO 15 N -2.45 2.12 0.12 1.29 0.04 -1.26 -4.87 135.00 129.99 1x2n s PRO 15 Ca 0.16 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 1x2n s PRO 15 Cb -0.08 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1x2n s PRO 15 CO 0.08 -1.73 1.65 -0.22 0.04 0.00 0.00 177.00 176.83 1x2n h LYS 16 N -1.19 0.52 -0.89 4.56 3.64 -2.00 -1.88 116.57 119.32 1x2n h LYS 16 Ca -0.44 -0.10 0.19 0.00 -1.27 0.00 0.00 60.65 59.02 1x2n h LYS 16 Cb 1.24 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 1x2n h LYS 16 CO 0.52 0.52 0.44 1.25 -2.27 0.00 0.00 179.45 179.91 1x2n h HIS 17 N 0.40 0.75 -0.05 1.91 2.76 -1.98 0.46 115.15 119.41 1x2n h HIS 17 Ca 0.11 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1x2n h HIS 17 Cb 0.21 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1x2n h HIS 17 CO 0.00 0.08 -0.07 0.00 -1.30 0.00 0.00 177.93 176.64 1x2n h ALA 18 N 1.64 0.07 -0.03 5.26 0.00 -1.76 -3.15 119.26 121.29 1x2n h ALA 18 Ca 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1x2n h ALA 18 Cb 0.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x2n h ALA 18 CO -0.44 -0.10 -0.04 1.79 0.00 0.00 0.00 179.25 180.46 1x2n h THR 19 N -0.35 1.05 0.63 0.00 1.35 -0.46 -2.99 112.91 112.14 1x2n h THR 19 Ca 0.00 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 1x2n h THR 19 Cb 0.62 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1x2n h THR 19 CO 0.02 0.06 -0.45 0.78 -0.25 0.00 0.00 175.52 175.68 1x2n h ASN 20 N 0.05 -1.16 0.13 5.36 2.35 -0.08 0.42 115.58 122.65 1x2n h ASN 20 Ca 0.01 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1x2n h ASN 20 Cb 0.10 0.35 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1x2n h ASN 20 CO 0.01 -0.66 -0.53 0.58 -1.65 0.00 0.00 177.43 175.18 1x2n h VAL 21 N -1.03 0.00 -0.74 2.81 2.07 -1.55 0.18 116.25 117.99 1x2n h VAL 21 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1x2n h VAL 21 Cb 0.85 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1x2n h VAL 21 CO 0.05 0.00 0.34 0.24 0.02 0.00 0.00 177.57 178.21 1x2n h MET 22 N -0.76 0.51 0.49 1.57 2.86 -1.52 -1.74 114.93 116.33 1x2n h MET 22 Ca -0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1x2n h MET 22 Cb 0.76 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1x2n h MET 22 CO -0.28 0.34 -0.38 0.00 1.06 0.00 0.00 176.91 177.65 1x2n h ARG 23 N 0.53 -0.80 -0.42 1.72 3.08 0.63 -0.13 114.38 118.98 1x2n h ARG 23 Ca 0.39 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.56 1x2n h ARG 23 Cb 0.52 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 1x2n h ARG 23 CO -0.34 -0.53 -0.44 1.03 -1.07 0.00 0.00 179.97 178.61 1x2n h SER 24 N -0.83 -1.48 -0.16 7.04 0.87 -0.69 -0.68 113.55 117.61 1x2n h SER 24 Ca -0.06 0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1x2n h SER 24 Cb 0.69 0.65 -0.07 0.00 -0.44 0.00 0.00 62.40 63.23 1x2n h SER 24 CO 0.01 -0.37 -0.39 -0.25 -0.53 0.00 0.00 176.83 175.30 1x2n h TRP 25 N -0.33 -1.10 -0.60 2.24 7.01 -1.25 0.03 115.95 121.95 1x2n h TRP 25 Ca 0.13 0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.30 1x2n h TRP 25 Cb 0.58 0.51 -0.12 0.00 -2.10 0.00 0.00 29.16 28.04 1x2n h TRP 25 CO -0.64 -0.45 -0.16 1.25 -2.79 0.00 0.00 178.44 175.64 1x2n h LEU 26 N -0.44 -0.60 -0.48 0.65 5.85 -0.16 0.18 115.31 120.31 1x2n h LEU 26 Ca 0.09 0.18 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1x2n h LEU 26 Cb 0.60 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1x2n h LEU 26 CO -0.41 -0.21 0.28 -0.26 -0.34 0.00 0.00 178.44 177.50 1x2n h PHE 27 N -0.01 0.52 -0.42 1.25 0.04 -0.27 0.91 116.94 118.95 1x2n h PHE 27 Ca 0.29 0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.13 1x2n h PHE 27 Cb 0.45 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1x2n h PHE 27 CO -0.51 0.29 0.28 1.96 -0.60 0.00 0.00 178.31 179.74 1x2n h GLN 28 N 0.55 0.33 -0.17 1.51 4.20 0.88 -1.98 115.11 120.43 1x2n h GLN 28 Ca 0.20 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 1x2n h GLN 28 Cb 0.04 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.67 1x2n h GLN 28 CO -0.10 0.22 -0.46 0.72 -0.67 0.00 0.00 178.83 178.54 1x2n n HIS 29 N -4.48 0.58 -0.31 2.96 8.25 -0.35 -4.81 115.22 117.07 1x2n n HIS 29 Ca 0.05 -1.63 0.17 0.00 -0.26 0.00 0.00 57.72 56.05 1x2n n HIS 29 Cb 0.24 -0.32 0.36 0.00 1.12 0.00 0.00 29.99 31.39 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 1.16 0.28 -0.58 1.59 6.09 0.16 0.25 117.51 126.45 1x2n h ILE 30 Ca 0.09 -0.08 0.06 0.00 -1.37 0.00 0.00 64.86 63.57 1x2n h ILE 30 Cb 1.18 0.04 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 1x2n h ILE 30 CO 0.18 0.04 0.28 1.23 -3.07 0.00 0.00 178.15 176.82 1x2n h GLY 31 N 0.22 0.82 -6.64 8.18 0.00 -1.85 -3.34 103.07 100.46 1x2n h GLY 31 Ca 0.62 -0.19 -0.60 0.00 0.00 0.00 0.00 47.33 47.17 1x2n h GLY 31 CO -0.66 0.10 -0.83 -1.58 0.00 0.00 0.00 176.54 173.56 1x2n s HIS 32 N -6.11 1.81 -1.13 5.60 5.65 0.80 -5.05 115.29 116.85 1x2n s HIS 32 Ca -0.13 -2.54 -0.23 0.00 0.25 0.00 0.00 55.06 52.41 1x2n s HIS 32 Cb 0.15 -1.50 -0.10 0.00 -1.18 0.00 0.00 32.58 29.95 1x2n s HIS 32 CO 0.74 -0.75 1.93 -0.35 -0.65 0.00 0.00 174.74 175.66 1x2n n PRO 33 N 2.80 1.58 -3.68 2.88 -0.04 -0.78 -4.84 135.00 132.92 1x2n n PRO 33 Ca 0.23 -2.39 -0.28 0.00 -0.04 0.00 0.00 63.50 61.03 1x2n n PRO 33 Cb 0.42 -3.63 -0.16 0.00 -0.04 0.00 0.00 33.50 30.09 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 0.82 0.26 0.54 1.51 -1.26 -5.01 117.35 124.52 1x2n s TYR 34 Ca 0.67 -0.84 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 1x2n s TYR 34 Cb 0.01 -1.02 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 1x2n s TYR 34 CO 0.14 -0.65 1.26 -1.25 -1.11 0.00 0.00 175.55 173.94 1x2n s PRO 35 N 1.93 4.43 0.27 -1.71 0.04 -1.26 -5.02 135.00 133.67 1x2n s PRO 35 Ca 0.02 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1x2n s PRO 35 Cb -0.17 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1x2n s PRO 35 CO -0.14 -0.13 0.72 0.95 0.04 0.00 0.00 177.00 178.44 1x2n s THR 36 N -0.56 4.63 0.32 1.26 -4.23 -1.26 -4.85 115.64 110.95 1x2n s THR 36 Ca 0.52 1.11 0.21 0.00 -1.18 0.00 0.00 61.69 62.34 1x2n s THR 36 Cb -0.37 -3.74 0.33 0.00 1.34 0.00 0.00 72.50 70.07 1x2n s THR 36 CO 0.44 0.02 1.25 -0.62 -0.54 0.00 0.00 174.62 175.17 1x2n n GLU 37 N 0.22 -0.04 -0.04 3.99 1.02 -1.26 0.13 120.64 124.66 1x2n n GLU 37 Ca 0.00 1.05 -0.14 0.00 -0.02 0.00 0.00 57.16 58.05 1x2n n GLU 37 Cb 0.52 -1.97 -0.12 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.07 -0.80 1.62 3.32 -2.00 -3.20 116.42 115.43 1x2n h ASP 38 Ca 0.69 -0.79 0.19 0.00 0.02 0.00 0.00 57.03 57.14 1x2n h ASP 38 Cb 2.00 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 41.40 1x2n h ASP 38 CO -0.50 0.85 0.14 -0.33 -1.72 0.00 0.00 179.24 177.68 1x2n h GLU 39 N -0.70 0.19 -0.56 3.56 4.39 0.79 0.58 114.58 122.82 1x2n h GLU 39 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1x2n h GLU 39 Cb 0.86 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1x2n h GLU 39 CO 0.02 0.12 0.32 0.87 -1.16 0.00 0.00 179.01 179.18 1x2n h LYS 40 N 0.19 0.75 0.19 2.33 1.57 -1.38 0.24 116.57 120.46 1x2n h LYS 40 Ca 0.47 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1x2n h LYS 40 Cb 0.87 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1x2n h LYS 40 CO -0.62 0.54 -0.09 0.87 -0.57 0.00 0.00 179.45 179.58 1x2n h LYS 41 N 0.77 -0.24 0.46 3.15 1.57 -0.04 -2.72 116.57 119.51 1x2n h LYS 41 Ca 0.20 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1x2n h LYS 41 Cb -0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1x2n h LYS 41 CO -0.04 0.08 -0.34 1.96 -0.57 0.00 0.00 179.45 180.54 1x2n h GLN 42 N -0.98 -0.76 -0.45 3.15 1.08 -0.45 -2.96 115.11 113.75 1x2n h GLN 42 Ca -0.03 0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1x2n h GLN 42 Cb 0.43 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 27.94 1x2n h GLN 42 CO 0.04 -0.50 -0.25 0.82 -0.95 0.00 0.00 178.83 177.99 1x2n h ILE 43 N -0.78 0.32 -1.17 2.54 2.04 -0.68 0.56 117.51 120.33 1x2n h ILE 43 Ca -0.05 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.26 1x2n h ILE 43 Cb 0.67 0.32 -0.16 0.00 -0.74 0.00 0.00 36.82 36.90 1x2n h ILE 43 CO 0.01 0.00 0.69 0.00 0.00 0.00 0.00 178.15 178.85 1x2n n ALA 44 N -2.97 1.18 0.12 1.87 0.00 -1.03 -0.16 120.51 119.52 1x2n n ALA 44 Ca 0.03 0.95 -0.06 0.00 0.00 0.00 0.00 53.44 54.36 1x2n n ALA 44 Cb 0.32 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1x2n n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2n h ALA 45 N 1.80 -0.49 -1.08 0.00 0.00 -0.86 1.77 119.26 120.40 1x2n h ALA 45 Ca 0.86 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.98 1x2n h ALA 45 Cb 2.50 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 20.34 1x2n h ALA 45 CO -0.63 -0.46 0.70 1.96 0.00 0.00 0.00 179.25 180.82 1x2n h GLN 46 N -0.78 0.32 0.00 0.00 4.20 -0.82 0.60 115.11 118.63 1x2n h GLN 46 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1x2n h GLN 46 Cb 0.28 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1x2n h GLN 46 CO 0.06 0.21 -0.99 0.25 -0.67 0.00 0.00 178.83 177.69 1x2n n THR 47 N -4.62 0.02 -3.15 -0.54 -2.24 0.77 -4.81 114.28 99.72 1x2n n THR 47 Ca 0.27 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.76 1x2n n THR 47 Cb 0.97 0.69 0.05 0.00 -2.10 0.00 0.00 70.33 69.94 1x2n n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x2n n ASN 48 N -1.62 -6.10 -4.63 3.42 3.02 0.52 -4.63 115.26 105.24 1x2n n ASN 48 Ca 0.03 -0.34 -0.23 0.00 -0.03 0.00 0.00 54.58 54.01 1x2n n ASN 48 Cb 0.36 -4.86 -0.08 0.00 -0.61 0.00 0.00 39.78 34.60 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x2n s LEU 49 N -6.66 3.08 0.16 3.41 1.43 0.34 -4.96 118.68 115.47 1x2n s LEU 49 Ca 0.37 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 1x2n s LEU 49 Cb -0.16 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 1x2n s LEU 49 CO 0.46 -0.06 0.65 0.42 0.23 0.00 0.00 176.35 178.05 1x2n s THR 50 N -2.39 4.64 0.38 5.49 -4.23 -1.26 -4.42 115.64 113.86 1x2n s THR 50 Ca 0.32 1.23 0.31 0.00 -1.18 0.00 0.00 61.69 62.37 1x2n s THR 50 Cb -0.05 -3.88 0.47 0.00 1.34 0.00 0.00 72.50 70.38 1x2n s THR 50 CO 0.19 0.35 1.25 0.18 -0.54 0.00 0.00 174.62 176.05 1x2n n LEU 51 N 1.12 0.11 -0.02 4.79 7.99 -1.26 0.19 117.00 129.93 1x2n n LEU 51 Ca -0.05 1.00 -0.13 0.00 -0.01 0.00 0.00 56.01 56.82 1x2n n LEU 51 Cb 0.51 -0.49 -0.09 0.00 -0.11 0.00 0.00 43.42 43.23 1x2n n LEU 51 CO 0.43 -1.06 0.66 0.25 -1.51 0.00 0.00 177.39 176.16 1x2n h LEU 52 N 0.00 0.05 0.94 2.23 6.46 -1.96 -2.63 115.31 120.40 1x2n h LEU 52 Ca 0.72 -0.43 -0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1x2n h LEU 52 Cb 2.54 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 42.46 1x2n h LEU 52 CO -0.25 0.48 -0.47 1.56 -0.62 0.00 0.00 178.44 179.14 1x2n h GLN 53 N -0.37 -1.23 -1.05 1.25 1.08 0.18 -0.52 115.11 114.45 1x2n h GLN 53 Ca 0.01 0.08 0.31 0.00 -1.45 0.00 0.00 58.65 57.60 1x2n h GLN 53 Cb 0.46 0.28 -0.13 0.00 -0.05 0.00 0.00 27.48 28.04 1x2n h GLN 53 CO 0.00 -0.82 0.63 0.28 -0.95 0.00 0.00 178.83 177.98 1x2n h VAL 54 N -1.28 0.37 0.44 -0.54 2.07 -1.47 -0.83 116.25 115.02 1x2n h VAL 54 Ca -0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1x2n h VAL 54 Cb 0.99 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1x2n h VAL 54 CO 0.20 0.07 -0.21 0.78 0.02 0.00 0.00 177.57 178.42 1x2n h ASN 55 N 0.36 -0.50 -0.58 0.57 2.35 -1.14 -2.88 115.58 113.76 1x2n h ASN 55 Ca 0.70 -0.09 0.11 0.00 -0.55 0.00 0.00 56.30 56.47 1x2n h ASN 55 Cb 1.66 0.13 -0.11 0.00 0.05 0.00 0.00 38.32 40.05 1x2n h ASN 55 CO -0.49 -0.10 -0.28 0.78 -1.65 0.00 0.00 177.43 175.69 1x2n h ASN 56 N -1.01 -0.98 -0.52 5.81 -0.26 0.21 0.24 115.58 119.07 1x2n h ASN 56 Ca -0.06 0.21 0.11 0.00 -0.56 0.00 0.00 56.30 56.00 1x2n h ASN 56 Cb 0.56 0.51 -0.09 0.00 -1.06 0.00 0.00 38.32 38.24 1x2n h ASN 56 CO 0.10 -0.28 -0.07 -0.25 -1.06 0.00 0.00 177.43 175.87 1x2n h TRP 57 N -0.13 -0.16 0.58 1.19 7.01 -1.28 -1.26 115.95 121.91 1x2n h TRP 57 Ca 0.25 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 1x2n h TRP 57 Cb 0.53 0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1x2n h TRP 57 CO -0.59 -0.18 -0.28 0.74 -2.79 0.00 0.00 178.44 175.34 1x2n h PHE 58 N 0.05 -0.72 -0.96 2.65 0.04 -0.80 0.19 116.94 117.38 1x2n h PHE 58 Ca 0.26 -0.02 0.31 0.00 2.80 0.00 0.00 57.97 61.33 1x2n h PHE 58 Cb 0.40 0.24 -0.16 0.00 2.20 0.00 0.00 35.95 38.63 1x2n h PHE 58 CO -0.39 -0.39 0.33 0.82 -0.60 0.00 0.00 178.31 178.09 1x2n h ILE 59 N -0.96 0.15 0.02 -0.55 2.04 -0.22 0.11 117.51 118.10 1x2n h ILE 59 Ca -0.08 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1x2n h ILE 59 Cb 0.65 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1x2n h ILE 59 CO 0.13 0.02 -0.33 -1.13 0.00 0.00 0.00 178.15 176.84 1x2n h ASN 60 N 0.12 0.26 -0.78 1.72 -1.24 -1.11 -3.33 115.58 111.22 1x2n h ASN 60 Ca 0.68 -0.84 0.11 0.00 0.71 0.00 0.00 56.30 56.97 1x2n h ASN 60 Cb 1.57 -0.08 -0.13 0.00 0.73 0.00 0.00 38.32 40.41 1x2n h ASN 60 CO -0.75 1.06 -0.44 0.00 -1.29 0.00 0.00 177.43 176.02 1x2n h ALA 61 N 0.20 -0.18 -1.03 1.57 0.00 0.19 0.62 119.26 120.63 1x2n h ALA 61 Ca -0.05 0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.29 1x2n h ALA 61 Cb 1.13 1.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.85 1x2n h ALA 61 CO 0.06 -0.77 0.65 0.00 0.00 0.00 0.00 179.25 179.19 1x2n h ARG 62 N -0.11 0.45 0.00 0.00 3.08 -1.42 0.81 114.38 117.20 1x2n h ARG 62 Ca 0.24 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1x2n h ARG 62 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1x2n h ARG 62 CO -0.83 0.30 -0.22 0.00 -1.07 0.00 0.00 179.97 178.15 1x2n h ARG 63 N 0.47 0.00 0.05 0.04 2.47 0.12 0.03 114.38 117.56 1x2n h ARG 63 Ca 0.61 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1x2n h ARG 63 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1x2n h ARG 63 CO -0.35 0.22 -0.02 0.00 0.56 0.00 0.00 179.97 180.38 1x2n h ARG 64 N 0.00 -0.06 -0.17 0.04 3.08 0.11 -2.17 114.38 115.21 1x2n h ARG 64 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1x2n h ARG 64 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1x2n h ARG 64 CO 0.03 0.40 -0.00 -0.84 -1.07 0.00 0.00 179.97 178.48 1x2n h ILE 65 N -0.97 1.12 0.00 2.04 3.07 -1.30 -2.93 117.51 118.53 1x2n h ILE 65 Ca -0.01 -0.45 -0.00 0.00 1.55 0.00 0.00 64.86 65.95 1x2n h ILE 65 Cb 0.49 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1x2n h ILE 65 CO 0.01 0.15 -0.00 -0.07 -1.05 0.00 0.00 178.15 177.19 1x2n h LEU 66 N 0.25 -0.01 -8.40 0.16 3.38 -1.09 -3.40 115.31 106.20 1x2n h LEU 66 Ca 0.06 -0.63 -0.50 0.00 0.09 0.00 0.00 57.88 56.90 1x2n h LEU 66 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1x2n h LEU 66 CO 0.00 0.63 1.21 -1.58 0.09 0.00 0.00 178.44 178.79 1x2n s GLN 67 N -3.67 2.86 0.09 1.13 0.74 -0.81 -4.93 119.66 115.07 1x2n s GLN 67 Ca -0.17 0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.28 1x2n s GLN 67 Cb 0.00 -4.43 0.01 0.00 1.10 0.00 0.00 33.01 29.69 1x2n s GLN 67 CO 0.67 -2.56 0.25 0.45 -0.55 0.00 0.00 175.29 173.55 1x2n s SER 68 N 6.45 0.01 0.00 6.67 0.15 -1.26 -4.84 113.70 120.87 1x2n s SER 68 Ca 0.55 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x2n s SER 68 Cb -0.10 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1x2n s SER 68 CO 0.15 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1x2n n GLY 69 N 0.01 0.66 3.63 9.45 0.00 -1.26 -5.08 105.19 112.60 1x2n n GLY 69 Ca -0.16 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1x2n n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2n s PRO 70 N 0.00 3.76 0.18 1.61 0.04 -1.26 -4.98 135.00 134.35 1x2n s PRO 70 Ca 0.00 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1x2n s PRO 70 Cb 0.00 -4.04 -0.08 0.00 0.04 0.00 0.00 34.50 30.42 1x2n s PRO 70 CO 0.00 -1.33 1.23 -1.54 0.04 0.00 0.00 177.00 175.40 1x2n s SER 71 N 4.32 7.04 -0.09 6.66 1.04 -1.26 -4.91 113.70 126.49 1x2n s SER 71 Ca 0.71 2.26 -0.04 0.00 0.48 0.00 0.00 55.95 59.36 1x2n s SER 71 Cb -0.24 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.14 1x2n s SER 71 CO 0.29 -0.42 3.08 -1.20 0.98 0.00 0.00 173.24 175.97 1x2n n SER 72 N 2.67 5.54 0.00 7.02 7.64 -1.26 -5.30 113.62 129.93 1x2n n SER 72 Ca 0.05 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1x2n n SER 72 Cb 0.44 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1x2n n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64