#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x40 s SER 2 N 0.00 5.34 -0.19 1.61 0.15 -1.26 -5.11 113.70 114.23 1x40 s SER 2 Ca 0.00 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 1x40 s SER 2 Cb 0.00 -1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 1x40 s SER 2 CO 0.00 -0.00 0.09 -0.55 1.20 0.00 0.00 173.24 173.98 1x40 s SER 3 N -3.61 5.91 0.00 5.45 0.15 -1.26 -5.01 113.70 115.34 1x40 s SER 3 Ca 0.32 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1x40 s SER 3 Cb -0.08 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1x40 s SER 3 CO 0.23 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1x40 n GLY 4 N 3.49 -1.94 3.12 9.45 0.00 -1.26 -5.14 105.19 112.91 1x40 n GLY 4 Ca -0.16 1.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.55 1x40 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x40 s SER 5 N 0.00 4.07 -0.47 1.61 0.15 -1.26 -4.99 113.70 112.80 1x40 s SER 5 Ca 0.00 -1.07 0.03 0.00 0.70 0.00 0.00 55.95 55.62 1x40 s SER 5 Cb 0.00 -1.56 0.44 0.00 -1.71 0.00 0.00 66.02 63.19 1x40 s SER 5 CO 0.00 -0.13 1.51 -1.20 1.20 0.00 0.00 173.24 174.62 1x40 n SER 6 N 4.54 5.97 -3.78 5.45 7.64 -1.26 -4.90 113.62 127.29 1x40 n SER 6 Ca -0.16 -3.77 -0.30 0.00 1.01 0.00 0.00 58.87 55.65 1x40 n SER 6 Cb 0.45 -0.61 -0.14 0.00 -1.01 0.00 0.00 64.21 62.90 1x40 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x40 s GLY 7 N -2.85 1.59 -0.67 0.23 0.00 -1.26 -4.97 107.32 99.39 1x40 s GLY 7 Ca 0.55 -2.36 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1x40 s GLY 7 CO -0.04 1.44 1.99 1.03 0.00 0.00 0.00 173.10 177.51 1x40 n MET 8 N 4.01 2.75 -3.66 2.90 2.81 -1.26 -4.88 117.12 119.80 1x40 n MET 8 Ca 0.04 -3.38 -0.07 0.00 -1.81 0.00 0.00 57.70 52.48 1x40 n MET 8 Cb 0.38 -2.29 -0.08 0.00 -0.71 0.00 0.00 33.22 30.52 1x40 n MET 8 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1x40 s SER 9 N -1.83 -0.83 -0.83 7.83 1.04 -1.26 -5.11 113.70 112.71 1x40 s SER 9 Ca 0.62 1.35 -0.23 0.00 0.48 0.00 0.00 55.95 58.17 1x40 s SER 9 Cb 0.49 1.37 0.06 0.00 0.10 0.00 0.00 66.02 68.05 1x40 s SER 9 CO -0.07 -0.23 1.22 -0.55 0.98 0.00 0.00 173.24 174.60 1x40 s SER 10 N 1.83 6.34 -0.21 7.02 0.15 -1.26 -4.93 113.70 122.64 1x40 s SER 10 Ca -0.09 -1.14 -0.28 0.00 0.70 0.00 0.00 55.95 55.14 1x40 s SER 10 Cb -0.07 -2.50 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1x40 s SER 10 CO -0.18 -1.51 0.96 0.54 1.20 0.00 0.00 173.24 174.25 1x40 s VAL 11 N 4.56 0.00 0.89 4.45 0.11 -1.26 -4.91 120.40 124.25 1x40 s VAL 11 Ca 0.34 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 1x40 s VAL 11 Cb -0.08 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.90 1x40 s VAL 11 CO 0.03 0.00 1.10 -0.55 -3.33 0.00 0.00 175.10 172.35 1x40 s SER 12 N -0.44 3.59 0.02 3.54 0.15 -1.26 -5.08 113.70 114.21 1x40 s SER 12 Ca -0.01 1.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.91 1x40 s SER 12 Cb -0.03 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 1x40 s SER 12 CO -0.01 -2.54 0.10 -1.61 1.20 0.00 0.00 173.24 170.39 1x40 s GLU 13 N -5.04 0.51 0.11 5.44 2.02 -1.26 -5.01 118.70 115.46 1x40 s GLU 13 Ca 0.63 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1x40 s GLU 13 Cb -0.17 0.20 0.41 0.00 0.10 0.00 0.00 34.13 34.67 1x40 s GLU 13 CO 0.56 -0.12 1.24 1.55 0.02 0.00 0.00 175.26 178.50 1x40 n VAL 14 N 1.21 1.65 -2.19 2.63 3.14 -1.26 -4.68 118.33 118.82 1x40 n VAL 14 Ca -0.22 0.57 -0.38 0.00 -2.96 0.00 0.00 64.34 61.35 1x40 n VAL 14 Cb 0.57 -1.56 -0.01 0.00 -1.06 0.00 0.00 33.84 31.78 1x40 n VAL 14 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1x40 s ASN 15 N -3.35 6.23 0.12 6.55 3.84 -1.26 -4.99 114.94 122.08 1x40 s ASN 15 Ca -0.01 2.42 0.09 0.00 0.21 0.00 0.00 52.86 55.57 1x40 s ASN 15 Cb 0.02 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 1x40 s ASN 15 CO 0.08 -0.88 -0.16 -0.69 -2.79 0.00 0.00 177.10 172.65 1x40 s VAL 16 N -1.43 2.95 0.38 -5.21 1.01 -1.26 -5.02 120.40 111.82 1x40 s VAL 16 Ca 0.61 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1x40 s VAL 16 Cb -0.32 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1x40 s VAL 16 CO 0.40 0.09 1.24 -0.62 0.00 0.00 0.00 175.10 176.21 1x40 s ASP 17 N -2.20 6.56 0.63 3.32 2.15 -1.26 -1.47 116.67 124.40 1x40 s ASP 17 Ca 0.19 2.53 0.26 0.00 0.43 0.00 0.00 52.55 55.96 1x40 s ASP 17 Cb -0.11 -2.63 1.38 0.00 -0.30 0.00 0.00 42.92 41.26 1x40 s ASP 17 CO 0.11 -0.67 1.79 -0.29 -0.17 0.00 0.00 175.17 175.94 1x40 h ILE 18 N 2.60 0.14 0.16 4.11 6.09 -0.81 -1.94 117.51 127.85 1x40 h ILE 18 Ca -0.49 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1x40 h ILE 18 Cb 1.24 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1x40 h ILE 18 CO 0.63 0.00 -0.08 0.50 -3.07 0.00 0.00 178.15 176.14 1x40 h LYS 19 N 0.00 -0.20 0.00 2.19 3.64 -1.90 -2.60 116.57 117.70 1x40 h LYS 19 Ca 0.11 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1x40 h LYS 19 Cb 1.13 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1x40 h LYS 19 CO -0.00 -0.13 0.29 0.22 -2.27 0.00 0.00 179.45 177.55 1x40 h ASP 20 N -0.41 0.00 0.13 4.20 3.58 -1.79 0.15 116.42 122.27 1x40 h ASP 20 Ca -0.02 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.14 1x40 h ASP 20 Cb 0.16 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.24 1x40 h ASP 20 CO 0.04 0.00 -1.20 0.15 -2.88 0.00 0.00 179.24 175.35 1x40 h PHE 21 N 0.00 0.96 0.01 0.28 3.57 -1.37 -3.09 116.94 117.31 1x40 h PHE 21 Ca 0.00 -0.61 -0.04 0.00 3.53 0.00 0.00 57.97 60.85 1x40 h PHE 21 Cb 0.58 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1x40 h PHE 21 CO 0.00 1.46 -0.15 -0.07 -2.23 0.00 0.00 178.31 177.31 1x40 h LEU 22 N 0.20 0.11 -1.62 0.59 3.38 -0.37 -3.28 115.31 114.33 1x40 h LEU 22 Ca -0.19 -0.86 0.21 0.00 0.09 0.00 0.00 57.88 57.14 1x40 h LEU 22 Cb 1.88 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.54 1x40 h LEU 22 CO 0.23 0.96 0.60 0.24 0.09 0.00 0.00 178.44 180.56 1x40 h MET 23 N -0.72 0.30 -0.15 1.13 2.86 -1.31 0.37 114.93 117.41 1x40 h MET 23 Ca -0.02 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1x40 h MET 23 Cb 0.99 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1x40 h MET 23 CO 0.03 0.20 0.11 0.77 1.06 0.00 0.00 176.91 179.08 1x40 h SER 24 N 0.31 0.00 -0.18 1.22 0.02 -1.59 -1.38 113.55 111.95 1x40 h SER 24 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1x40 h SER 24 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1x40 h SER 24 CO -0.14 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 177.85 1x40 n ILE 25 N -4.43 0.92 -3.10 3.27 -5.35 0.10 -5.00 119.36 105.78 1x40 n ILE 25 Ca 0.01 -0.96 -0.14 0.00 -0.27 0.00 0.00 62.75 61.39 1x40 n ILE 25 Cb 0.24 0.55 0.07 0.00 -1.74 0.00 0.00 39.64 38.75 1x40 n ILE 25 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x40 n ASN 26 N 0.09 -3.94 -0.04 7.28 4.13 0.28 -4.94 115.26 118.11 1x40 n ASN 26 Ca 0.06 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.77 1x40 n ASN 26 Cb 0.33 -4.45 0.01 0.00 -1.54 0.00 0.00 39.78 34.13 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -3.32 0.75 -0.51 3.41 7.99 -0.44 -4.83 117.00 120.05 1x40 n LEU 27 Ca -0.15 -0.86 0.43 0.00 -0.01 0.00 0.00 56.01 55.41 1x40 n LEU 27 Cb 0.62 -0.02 0.75 0.00 -0.11 0.00 0.00 43.42 44.66 1x40 n LEU 27 CO 0.51 0.21 1.37 1.05 -1.51 0.00 0.00 177.39 179.02 1x40 h GLU 28 N 0.00 0.04 -0.86 3.23 4.11 -1.89 0.19 114.58 119.39 1x40 h GLU 28 Ca 0.00 -0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.68 1x40 h GLU 28 Cb 0.87 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1x40 h GLU 28 CO 0.00 0.03 1.10 -0.56 0.07 0.00 0.00 179.01 179.64 1x40 h GLN 29 N 0.04 0.00 -1.80 1.06 3.07 -1.95 0.55 115.11 116.08 1x40 h GLN 29 Ca 0.78 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.81 1x40 h GLN 29 Cb 2.94 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 30.19 1x40 h GLN 29 CO -0.12 0.00 0.51 0.66 0.09 0.00 0.00 178.83 179.97 1x40 n TYR 30 N -3.24 3.11 -0.04 0.06 4.01 0.68 -4.59 117.16 117.15 1x40 n TYR 30 Ca 0.19 -2.58 -0.21 0.00 -0.16 0.00 0.00 57.90 55.15 1x40 n TYR 30 Cb 1.36 -0.87 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 1x40 n TYR 30 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1x40 n LEU 31 N -0.54 2.71 0.02 7.72 7.94 0.19 -3.86 117.00 131.17 1x40 n LEU 31 Ca 0.50 0.11 -0.09 0.00 -1.11 0.00 0.00 56.01 55.42 1x40 n LEU 31 Cb 0.38 -1.04 0.06 0.00 0.53 0.00 0.00 43.42 43.35 1x40 n LEU 31 CO 0.47 0.86 0.48 0.25 -1.11 0.00 0.00 177.39 178.33 1x40 h LEU 32 N -0.01 0.57 0.10 -1.96 7.12 -1.81 -2.62 115.31 116.69 1x40 h LEU 32 Ca -0.48 -0.31 -0.01 0.00 0.13 0.00 0.00 57.88 57.22 1x40 h LEU 32 Cb 1.96 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.92 1x40 h LEU 32 CO 0.01 1.01 -0.05 0.45 -0.13 0.00 0.00 178.44 179.73 1x40 h HIS 33 N 0.39 -0.13 0.03 1.25 3.86 -1.88 -1.71 115.15 116.97 1x40 h HIS 33 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1x40 h HIS 33 Cb 1.10 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1x40 h HIS 33 CO 0.04 -0.04 -0.02 0.74 0.86 0.00 0.00 177.93 179.51 1x40 h PHE 34 N -0.18 -0.04 0.03 2.45 -1.00 -1.66 -1.66 116.94 114.87 1x40 h PHE 34 Ca -0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1x40 h PHE 34 Cb 0.14 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1x40 h PHE 34 CO -0.06 -0.01 -0.11 0.45 -1.61 0.00 0.00 178.31 176.97 1x40 h HIS 35 N -0.06 -0.32 -1.14 -0.55 3.86 -1.39 0.12 115.15 115.67 1x40 h HIS 35 Ca -0.00 0.01 0.32 0.00 -1.16 0.00 0.00 60.37 59.53 1x40 h HIS 35 Cb 0.05 0.14 -0.09 0.00 1.06 0.00 0.00 27.41 28.57 1x40 h HIS 35 CO -0.07 -0.13 0.75 0.93 0.86 0.00 0.00 177.93 180.28 1x40 h GLU 36 N -0.16 0.24 -0.36 2.45 4.39 -1.34 0.59 114.58 120.38 1x40 h GLU 36 Ca -0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1x40 h GLU 36 Cb 0.16 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1x40 h GLU 36 CO -0.06 0.16 -0.23 0.77 -1.16 0.00 0.00 179.01 178.48 1x40 h SER 37 N 0.24 0.74 0.00 1.42 0.02 -0.27 -3.47 113.55 112.23 1x40 h SER 37 Ca 0.64 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1x40 h SER 37 Cb 1.90 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1x40 h SER 37 CO -0.25 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1x40 n GLY 38 N -0.24 1.84 2.97 -3.77 0.00 0.21 -5.09 105.19 101.11 1x40 n GLY 38 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x40 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x40 s PHE 39 N -1.84 3.43 -0.02 1.61 0.08 -0.12 -4.94 117.98 116.18 1x40 s PHE 39 Ca 0.00 -2.92 0.03 0.00 0.12 0.00 0.00 56.93 54.17 1x40 s PHE 39 Cb 0.00 -2.77 -0.25 0.00 -0.57 0.00 0.00 43.02 39.43 1x40 s PHE 39 CO 0.00 -0.90 0.76 1.79 -0.10 0.00 0.00 175.22 176.78 1x40 h THR 40 N 6.34 1.03 -4.60 0.64 1.35 -1.89 -3.30 112.91 112.49 1x40 h THR 40 Ca -0.05 -2.77 -0.46 0.00 -0.55 0.00 0.00 66.41 62.58 1x40 h THR 40 Cb 0.99 2.61 -0.10 0.00 -1.73 0.00 0.00 68.15 69.92 1x40 h THR 40 CO 0.55 0.73 -0.36 0.35 -0.25 0.00 0.00 175.52 176.53 1x40 n THR 41 N -3.30 0.00 0.08 6.82 -2.24 -1.26 -0.23 114.28 114.15 1x40 n THR 41 Ca -0.17 -1.83 -0.07 0.00 -2.27 0.00 0.00 64.05 59.71 1x40 n THR 41 Cb 1.03 0.54 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 1x40 n THR 41 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x40 h VAL 42 N 1.39 1.42 -0.84 2.28 2.07 -1.53 -3.17 116.25 117.88 1x40 h VAL 42 Ca -0.28 -2.23 0.03 0.00 0.82 0.00 0.00 66.70 65.04 1x40 h VAL 42 Cb 0.95 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 1x40 h VAL 42 CO 0.45 0.66 0.55 0.11 0.02 0.00 0.00 177.57 179.36 1x40 h LYS 43 N 0.17 1.04 0.00 1.57 1.57 -1.97 0.70 116.57 119.65 1x40 h LYS 43 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1x40 h LYS 43 Cb 1.29 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1x40 h LYS 43 CO 0.11 0.69 0.00 -0.25 -0.57 0.00 0.00 179.45 179.43 1x40 n ASP 44 N -4.44 0.00 -1.55 0.86 8.00 -1.20 -1.63 116.55 116.59 1x40 n ASP 44 Ca 0.11 -0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.61 1x40 n ASP 44 Cb 0.09 -0.17 0.35 0.00 -0.02 0.00 0.00 41.12 41.37 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x40 h ALA 46 N 3.88 0.88 -0.59 0.00 0.00 -1.42 -3.00 119.26 119.01 1x40 h ALA 46 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1x40 h ALA 46 Cb 1.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1x40 h ALA 46 CO 0.25 0.53 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1x40 n ALA 47 N -2.27 2.71 -2.43 0.00 0.00 -1.26 -4.97 120.51 112.28 1x40 n ALA 47 Ca 0.00 -1.49 -0.33 0.00 0.00 0.00 0.00 53.44 51.62 1x40 n ALA 47 Cb 0.58 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 1x40 n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x40 s ILE 48 N -1.53 4.94 0.03 0.00 1.01 -1.14 -5.09 121.20 119.43 1x40 s ILE 48 Ca 0.45 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.63 1x40 s ILE 48 Cb 0.27 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1x40 s ILE 48 CO 0.24 0.06 -0.03 0.20 0.00 0.00 0.00 174.94 175.41 1x40 s ASN 49 N -2.12 0.36 0.24 3.58 0.01 -1.26 -5.02 114.94 110.72 1x40 s ASN 49 Ca 0.43 -0.73 -0.10 0.00 -0.71 0.00 0.00 52.86 51.75 1x40 s ASN 49 Cb -0.13 0.14 0.34 0.00 0.41 0.00 0.00 41.25 42.02 1x40 s ASN 49 CO 0.20 -0.44 1.40 -0.67 -1.51 0.00 0.00 177.10 176.08 1x40 n ASP 50 N 0.92 -0.41 -0.35 -1.22 -0.08 -1.26 0.18 116.55 114.32 1x40 n ASP 50 Ca -0.19 1.55 0.15 0.00 -1.51 0.00 0.00 54.79 54.79 1x40 n ASP 50 Cb 0.58 -0.43 0.36 0.00 2.34 0.00 0.00 41.12 43.97 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x40 h SER 51 N 0.00 0.72 -0.19 1.67 0.02 -1.99 -0.23 113.55 113.55 1x40 h SER 51 Ca 0.39 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.41 1x40 h SER 51 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1x40 h SER 51 CO -0.91 0.17 -0.06 0.25 -1.14 0.00 0.00 176.83 175.14 1x40 h LEU 52 N 0.66 0.37 -0.57 5.07 5.85 0.15 -2.63 115.31 124.21 1x40 h LEU 52 Ca 0.62 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1x40 h LEU 52 Cb 1.08 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 1x40 h LEU 52 CO -0.44 0.67 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.17 1x40 h LEU 53 N 0.07 -0.43 -0.10 2.25 -0.00 -0.28 0.85 115.31 117.67 1x40 h LEU 53 Ca 0.05 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1x40 h LEU 53 Cb 0.52 0.32 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1x40 h LEU 53 CO 0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 178.44 178.30 1x40 n GLN 54 N -5.35 0.04 0.00 1.13 10.64 -0.89 -2.80 117.38 120.15 1x40 n GLN 54 Ca 0.07 0.23 -0.20 0.00 -1.83 0.00 0.00 57.00 55.27 1x40 n GLN 54 Cb 0.31 -1.56 -0.14 0.00 -0.86 0.00 0.00 30.24 27.98 1x40 n GLN 54 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1x40 n LYS 55 N -1.63 0.75 0.26 2.61 4.81 0.26 -4.04 118.16 121.17 1x40 n LYS 55 Ca 0.04 0.27 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 1x40 n LYS 55 Cb 0.22 -1.72 0.70 0.00 0.02 0.00 0.00 35.03 34.25 1x40 n LYS 55 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1x40 h ILE 56 N 0.06 0.77 0.00 3.15 3.07 -0.32 -3.46 117.51 120.79 1x40 h ILE 56 Ca -0.40 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 65.65 1x40 h ILE 56 Cb 2.03 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.79 1x40 h ILE 56 CO 0.09 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 177.89 1x40 n GLY 57 N -1.06 3.14 2.55 0.16 0.00 -1.21 -4.91 105.19 103.87 1x40 n GLY 57 Ca -0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1x40 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x40 n ILE 58 N 0.00 0.00 0.16 -0.61 5.41 -1.12 -4.80 119.36 118.40 1x40 n ILE 58 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1x40 n ILE 58 Cb 0.00 -0.37 -0.05 0.00 -0.71 0.00 0.00 39.64 38.51 1x40 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1x40 h SER 59 N 8.28 -0.41 -3.78 4.38 0.87 -1.88 -3.38 113.55 117.62 1x40 h SER 59 Ca -0.05 -0.07 -0.52 0.00 -1.23 0.00 0.00 61.79 59.93 1x40 h SER 59 Cb 1.00 0.11 0.04 0.00 -0.44 0.00 0.00 62.40 63.11 1x40 h SER 59 CO 0.97 0.05 0.58 -2.16 -0.53 0.00 0.00 176.83 175.74 1x40 s PRO 60 N -3.42 4.46 -0.07 2.24 0.04 -1.26 -4.97 135.00 132.01 1x40 s PRO 60 Ca -0.09 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 1x40 s PRO 60 Cb 0.01 -3.13 -0.27 0.00 0.04 0.00 0.00 34.50 31.15 1x40 s PRO 60 CO 0.30 -0.06 0.91 1.15 0.04 0.00 0.00 177.00 179.34 1x40 h THR 61 N 3.16 1.61 -0.82 1.26 2.02 -2.01 -3.32 112.91 114.80 1x40 h THR 61 Ca -0.48 -2.28 0.34 0.00 0.77 0.00 0.00 66.41 64.76 1x40 h THR 61 Cb 1.22 3.10 -0.15 0.00 -1.74 0.00 0.00 68.15 70.58 1x40 h THR 61 CO 0.68 0.62 0.42 0.61 0.37 0.00 0.00 175.52 178.22 1x40 n GLY 62 N 1.44 -0.64 0.26 2.16 0.00 -1.26 0.23 105.19 107.38 1x40 n GLY 62 Ca -0.11 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 1x40 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x40 h HIS 63 N 0.00 1.13 0.17 1.61 -0.00 -1.99 -2.92 115.15 113.15 1x40 h HIS 63 Ca 0.69 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1x40 h HIS 63 Cb 1.80 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.96 1x40 h HIS 63 CO -0.03 1.20 -0.34 0.00 -0.00 0.00 0.00 177.93 178.76 1x40 h ARG 64 N 0.74 -0.53 -0.71 2.45 3.08 0.29 0.11 114.38 119.82 1x40 h ARG 64 Ca 0.04 0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.31 1x40 h ARG 64 Cb 1.05 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1x40 h ARG 64 CO 0.11 -0.35 0.49 0.00 -1.07 0.00 0.00 179.97 179.15 1x40 h ARG 65 N -0.55 0.15 0.09 0.04 -0.00 -1.57 -1.30 114.38 111.25 1x40 h ARG 65 Ca -0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1x40 h ARG 65 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.45 1x40 h ARG 65 CO -0.13 0.10 -0.04 -0.09 0.00 0.00 0.00 179.97 179.81 1x40 h ARG 66 N 0.16 -0.12 -0.31 0.04 1.12 -1.06 -0.61 114.38 113.61 1x40 h ARG 66 Ca 0.34 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.23 1x40 h ARG 66 Cb 1.12 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.09 1x40 h ARG 66 CO -0.05 0.22 0.18 0.82 -3.11 0.00 0.00 179.97 178.02 1x40 h ILE 67 N -0.46 1.03 -0.10 1.20 2.04 0.23 -2.88 117.51 118.56 1x40 h ILE 67 Ca -0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1x40 h ILE 67 Cb 0.39 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1x40 h ILE 67 CO 0.02 0.07 0.06 -0.07 0.00 0.00 0.00 178.15 178.23 1x40 h LEU 68 N 0.37 0.13 -0.95 1.44 3.38 -1.30 -1.66 115.31 116.71 1x40 h LEU 68 Ca 0.12 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.18 1x40 h LEU 68 Cb 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.57 1x40 h LEU 68 CO -0.06 0.13 -0.43 0.50 0.09 0.00 0.00 178.44 178.68 1x40 h LYS 69 N 0.11 -0.02 -0.42 1.13 3.64 -0.89 0.23 116.57 120.35 1x40 h LYS 69 Ca 0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1x40 h LYS 69 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1x40 h LYS 69 CO -0.01 -0.02 -0.02 1.96 -2.27 0.00 0.00 179.45 179.10 1x40 h GLN 70 N -0.02 0.75 -1.04 1.90 1.08 -1.42 -2.91 115.11 113.44 1x40 h GLN 70 Ca 0.29 -0.25 0.28 0.00 -1.45 0.00 0.00 58.65 57.52 1x40 h GLN 70 Cb 0.56 -0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.81 1x40 h GLN 70 CO -0.94 0.84 0.65 -0.07 -0.95 0.00 0.00 178.83 178.35 1x40 h LEU 71 N 0.58 0.53 0.36 1.46 3.38 0.38 0.21 115.31 122.21 1x40 h LEU 71 Ca 0.12 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1x40 h LEU 71 Cb 0.51 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1x40 h LEU 71 CO 0.03 0.05 -0.17 1.56 0.09 0.00 0.00 178.44 179.99 1x40 h GLN 72 N 0.44 -0.47 -0.14 1.13 4.20 -0.95 0.30 115.11 119.62 1x40 h GLN 72 Ca 0.64 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.42 1x40 h GLN 72 Cb 1.49 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.35 1x40 h GLN 72 CO -0.40 -0.15 -0.08 0.82 -0.67 0.00 0.00 178.83 178.34 1x40 h ILE 73 N -0.86 0.74 0.82 2.54 2.04 -1.16 -0.82 117.51 120.81 1x40 h ILE 73 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1x40 h ILE 73 Cb 0.53 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1x40 h ILE 73 CO 0.08 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 178.24 1x40 h ILE 74 N -0.08 0.00 -0.52 -0.67 2.04 -0.71 -2.60 117.51 114.97 1x40 h ILE 74 Ca 0.08 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1x40 h ILE 74 Cb 0.20 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.20 1x40 h ILE 74 CO -0.19 0.00 -0.48 -0.07 0.00 0.00 0.00 178.15 177.41 1x40 h LEU 75 N -1.13 -1.67 -0.92 1.44 3.38 -0.88 0.17 115.31 115.70 1x40 h LEU 75 Ca -0.11 0.23 0.26 0.00 0.09 0.00 0.00 57.88 58.35 1x40 h LEU 75 Cb 0.84 0.70 -0.16 0.00 0.09 0.00 0.00 40.66 42.14 1x40 h LEU 75 CO 0.18 -0.29 0.18 -1.28 0.09 0.00 0.00 178.44 177.33 1x40 h SER 76 N -0.22 -0.15 -0.67 -0.43 0.87 -1.18 0.62 113.55 112.39 1x40 h SER 76 Ca 0.09 0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1x40 h SER 76 Cb 0.45 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1x40 h SER 76 CO -0.61 -0.25 0.24 0.11 -0.53 0.00 0.00 176.83 175.79 1x40 h LYS 77 N 0.11 1.03 -6.19 2.24 1.79 -0.33 -3.40 116.57 111.82 1x40 h LYS 77 Ca 0.59 -0.20 -0.55 0.00 -2.18 0.00 0.00 60.65 58.31 1x40 h LYS 77 Cb 1.25 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 1x40 h LYS 77 CO -0.76 0.87 1.29 -1.64 -1.08 0.00 0.00 179.45 178.14 1x40 s MET 78 N -5.48 3.11 0.19 3.15 -1.94 0.21 -4.98 119.30 113.58 1x40 s MET 78 Ca -0.13 1.15 0.04 0.00 -1.71 0.00 0.00 55.69 55.04 1x40 s MET 78 Cb 0.14 -4.25 -0.03 0.00 2.01 0.00 0.00 34.83 32.70 1x40 s MET 78 CO 0.82 -2.13 0.29 1.14 -0.01 0.00 0.00 175.02 175.13 1x40 s GLN 79 N 6.07 3.34 -0.41 2.03 -2.07 -1.26 -4.91 119.66 122.44 1x40 s GLN 79 Ca 0.75 -0.72 0.05 0.00 -1.82 0.00 0.00 55.36 53.62 1x40 s GLN 79 Cb -0.19 -2.87 0.56 0.00 -1.09 0.00 0.00 33.01 29.42 1x40 s GLN 79 CO 0.30 0.48 1.72 -3.47 -1.32 0.00 0.00 175.29 172.99 1x40 n ASP 80 N -0.87 3.96 -4.62 12.60 2.03 -1.26 -4.98 116.55 123.41 1x40 n ASP 80 Ca -0.08 -3.72 -0.30 0.00 0.52 0.00 0.00 54.79 51.21 1x40 n ASP 80 Cb 0.55 -0.75 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1x40 s ILE 81 N -3.62 3.62 0.56 5.18 -5.25 -1.26 -5.11 121.20 115.32 1x40 s ILE 81 Ca 0.53 -1.19 -0.19 0.00 -0.99 0.00 0.00 60.65 58.81 1x40 s ILE 81 Cb 0.45 -2.72 -0.05 0.00 2.95 0.00 0.00 42.46 43.09 1x40 s ILE 81 CO 0.04 0.09 1.13 -2.16 -1.79 0.00 0.00 174.94 172.25 1x40 s PRO 82 N -2.32 3.27 0.31 0.37 0.04 -1.26 -4.98 135.00 130.43 1x40 s PRO 82 Ca 0.24 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1x40 s PRO 82 Cb -0.11 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1x40 s PRO 82 CO 0.16 -0.91 1.43 0.42 0.04 0.00 0.00 177.00 178.14 1x40 s ILE 83 N -1.85 2.45 -0.68 0.56 1.01 -1.26 -4.97 121.20 116.46 1x40 s ILE 83 Ca 0.72 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.83 1x40 s ILE 83 Cb -0.23 -3.26 0.24 0.00 0.01 0.00 0.00 42.46 39.22 1x40 s ILE 83 CO 0.29 0.08 0.77 -1.22 0.00 0.00 0.00 174.94 174.86 1x40 n TYR 84 N 1.44 3.55 -3.57 3.97 4.01 -1.26 -5.03 117.16 120.27 1x40 n TYR 84 Ca 0.04 -4.08 -0.06 0.00 -0.16 0.00 0.00 57.90 53.63 1x40 n TYR 84 Cb 0.40 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x40 s ALA 85 N -2.39 -1.87 0.31 -0.72 0.00 -1.26 -5.17 121.76 110.66 1x40 s ALA 85 Ca 0.38 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 1x40 s ALA 85 Cb 0.12 0.35 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 1x40 s ALA 85 CO -0.02 -0.75 0.60 0.45 0.00 0.00 0.00 175.76 176.04 1x40 s SER 86 N -2.53 6.48 0.00 0.00 0.15 -1.26 -5.04 113.70 111.51 1x40 s SER 86 Ca 0.07 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1x40 s SER 86 Cb -0.01 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1x40 s SER 86 CO -0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x40 n GLY 87 N -0.93 1.07 3.69 9.45 0.00 -1.26 -5.14 105.19 112.07 1x40 n GLY 87 Ca -0.01 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1x40 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x40 s PRO 88 N -1.44 0.67 0.02 1.61 0.04 -1.26 -5.09 135.00 129.55 1x40 s PRO 88 Ca 0.00 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.37 1x40 s PRO 88 Cb 0.00 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.85 1x40 s PRO 88 CO 0.00 -2.59 0.65 -1.54 0.04 0.00 0.00 177.00 173.55 1x40 s SER 89 N -3.44 -0.62 -1.56 6.66 1.04 -1.26 -4.95 113.70 109.57 1x40 s SER 89 Ca 0.65 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 1x40 s SER 89 Cb -0.18 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1x40 s SER 89 CO 0.57 -0.73 0.47 -1.20 0.98 0.00 0.00 173.24 173.34 1x40 n SER 90 N 0.47 -1.14 0.00 7.02 7.64 -1.26 -5.21 113.62 121.14 1x40 n SER 90 Ca -0.18 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1x40 n SER 90 Cb 0.60 -2.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.19 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64