#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 -0.62 0.01 1.61 1.04 -1.26 -5.17 113.70 109.31 1x40 s SER 2 Ca 0.00 1.20 -0.00 0.00 0.48 0.00 0.00 55.95 57.63 1x40 s SER 2 Cb 0.00 1.21 -0.01 0.00 0.10 0.00 0.00 66.02 67.33 1x40 s SER 2 CO 0.00 -0.21 -0.01 -0.94 0.98 0.00 0.00 173.24 173.07 1x40 s SER 3 N 0.32 0.07 0.31 7.02 1.04 -1.26 -5.17 113.70 116.05 1x40 s SER 3 Ca -0.00 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1x40 s SER 3 Cb -0.04 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1x40 s SER 3 CO 0.01 -0.10 0.15 -0.83 0.98 0.00 0.00 173.24 173.45 1x40 s GLY 4 N -0.47 2.10 0.31 7.32 0.00 -1.26 -5.17 107.32 110.14 1x40 s GLY 4 Ca -0.05 -1.73 0.09 0.00 0.00 0.00 0.00 44.72 43.03 1x40 s GLY 4 CO -0.00 -1.62 0.03 -0.56 0.00 0.00 0.00 173.10 170.95 1x40 s SER 5 N -3.40 4.42 -0.07 1.64 0.01 -1.26 -5.14 113.70 109.90 1x40 s SER 5 Ca 0.35 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1x40 s SER 5 Cb 0.05 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1x40 s SER 5 CO 0.17 -0.15 -0.15 -0.55 0.41 0.00 0.00 173.24 172.97 1x40 s SER 6 N -3.72 2.11 0.00 2.44 0.15 -1.26 -5.13 113.70 108.28 1x40 s SER 6 Ca 0.34 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x40 s SER 6 Cb -0.03 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1x40 s SER 6 CO 0.20 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1x40 n GLY 7 N 3.76 -2.13 3.96 9.45 0.00 -1.26 -5.01 105.19 113.96 1x40 n GLY 7 Ca -0.22 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1x40 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x40 s MET 8 N 0.00 3.24 0.09 1.61 1.00 -1.26 -5.12 119.30 118.86 1x40 s MET 8 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 55.69 55.12 1x40 s MET 8 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 34.83 32.10 1x40 s MET 8 CO 0.00 0.02 -0.11 -1.54 0.00 0.00 0.00 175.02 173.39 1x40 s SER 9 N -4.13 1.48 -1.58 3.03 1.04 -1.26 -4.81 113.70 107.48 1x40 s SER 9 Ca 0.43 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 1x40 s SER 9 Cb -0.10 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.12 1x40 s SER 9 CO 0.34 -0.20 0.87 -0.24 0.98 0.00 0.00 173.24 175.00 1x40 n SER 10 N 0.82 -3.89 -2.12 7.02 2.88 -1.26 -4.87 113.62 112.20 1x40 n SER 10 Ca -0.18 -0.88 -0.26 0.00 -1.33 0.00 0.00 58.87 56.22 1x40 n SER 10 Cb 0.56 -3.44 0.03 0.00 -0.75 0.00 0.00 64.21 60.62 1x40 n SER 10 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x40 n VAL 11 N -4.55 2.73 -3.49 2.46 0.24 -1.26 -4.89 118.33 109.57 1x40 n VAL 11 Ca 0.02 -4.05 -0.36 0.00 -2.04 0.00 0.00 64.34 57.91 1x40 n VAL 11 Cb 0.53 -1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 31.69 1x40 n VAL 11 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x40 n SER 12 N -0.73 4.55 -0.07 -1.34 7.64 -1.26 -4.76 113.62 117.66 1x40 n SER 12 Ca 0.47 -3.22 -0.13 0.00 1.01 0.00 0.00 58.87 57.00 1x40 n SER 12 Cb 0.88 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1x40 n SER 12 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x40 n GLU 13 N 1.94 0.32 0.21 1.43 -0.58 -1.26 -4.60 120.64 118.11 1x40 n GLU 13 Ca 0.24 0.12 0.09 0.00 -0.42 0.00 0.00 57.16 57.18 1x40 n GLU 13 Cb 0.37 -1.12 0.38 0.00 -0.57 0.00 0.00 31.44 30.50 1x40 n GLU 13 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1x40 h VAL 14 N -0.33 0.55 -2.08 2.62 3.04 -2.03 -3.45 116.25 114.57 1x40 h VAL 14 Ca -0.35 -1.27 -0.64 0.00 -1.01 0.00 0.00 66.70 63.44 1x40 h VAL 14 Cb 1.38 1.88 0.08 0.00 -2.01 0.00 0.00 31.29 32.62 1x40 h VAL 14 CO -0.16 0.24 0.34 -3.20 -1.01 0.00 0.00 177.57 173.78 1x40 n ASN 15 N -3.33 1.62 -4.85 3.17 2.85 -1.26 -4.94 115.26 108.51 1x40 n ASN 15 Ca 0.01 1.14 -0.33 0.00 -0.11 0.00 0.00 54.58 55.29 1x40 n ASN 15 Cb 0.48 -1.26 -0.06 0.00 1.24 0.00 0.00 39.78 40.18 1x40 n ASN 15 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x40 s VAL 16 N -0.15 4.69 0.13 3.44 0.11 -1.26 -4.98 120.40 122.37 1x40 s VAL 16 Ca 0.72 0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 60.42 1x40 s VAL 16 Cb -0.81 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 30.33 1x40 s VAL 16 CO 0.52 -0.13 1.08 -0.62 -3.33 0.00 0.00 175.10 172.62 1x40 s ASP 17 N -2.20 7.29 0.64 3.54 2.15 -1.26 -2.46 116.67 124.36 1x40 s ASP 17 Ca 0.52 1.98 0.17 0.00 0.43 0.00 0.00 52.55 55.65 1x40 s ASP 17 Cb -0.11 -2.59 0.80 0.00 -0.30 0.00 0.00 42.92 40.72 1x40 s ASP 17 CO 0.18 -0.24 1.41 -0.29 -0.17 0.00 0.00 175.17 176.06 1x40 h ILE 18 N 4.04 0.05 -0.17 4.11 6.09 -0.66 0.91 117.51 131.88 1x40 h ILE 18 Ca -0.43 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 62.88 1x40 h ILE 18 Cb 1.21 0.24 0.01 0.00 0.47 0.00 0.00 36.82 38.75 1x40 h ILE 18 CO 0.74 0.00 -0.59 0.50 -3.07 0.00 0.00 178.15 175.74 1x40 h LYS 19 N 0.00 0.69 -0.02 2.19 3.64 -1.90 -2.97 116.57 118.20 1x40 h LYS 19 Ca 0.14 -0.52 -0.20 0.00 -1.27 0.00 0.00 60.65 58.80 1x40 h LYS 19 Cb 1.79 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1x40 h LYS 19 CO -0.00 1.14 -0.86 -0.44 -2.27 0.00 0.00 179.45 177.02 1x40 h ASP 20 N 0.38 0.43 0.08 4.20 3.32 0.45 -0.96 116.42 124.32 1x40 h ASP 20 Ca -0.03 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1x40 h ASP 20 Cb 1.21 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1x40 h ASP 20 CO 0.12 1.10 -0.09 0.15 -1.72 0.00 0.00 179.24 178.81 1x40 h PHE 21 N 0.20 0.02 0.00 4.55 3.57 -1.37 -2.43 116.94 121.48 1x40 h PHE 21 Ca -0.05 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.22 1x40 h PHE 21 Cb 1.47 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 1x40 h PHE 21 CO 0.05 0.11 -1.29 1.28 -2.23 0.00 0.00 178.31 176.23 1x40 n LEU 22 N -4.42 1.86 0.24 0.59 4.77 -1.12 -3.88 117.00 115.04 1x40 n LEU 22 Ca -0.03 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.53 1x40 n LEU 22 Cb 0.17 -0.95 0.59 0.00 -2.33 0.00 0.00 43.42 40.91 1x40 n LEU 22 CO 0.35 0.22 1.12 0.24 -1.33 0.00 0.00 177.39 178.00 1x40 h MET 23 N -1.00 0.00 0.22 3.23 2.86 -1.14 0.62 114.93 119.72 1x40 h MET 23 Ca -0.34 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.00 1x40 h MET 23 Cb 1.25 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.94 1x40 h MET 23 CO -0.21 0.00 -1.33 1.03 1.06 0.00 0.00 176.91 177.46 1x40 h SER 24 N 0.00 0.74 0.03 1.22 0.87 -1.58 -3.29 113.55 111.54 1x40 h SER 24 Ca 0.08 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1x40 h SER 24 Cb 1.25 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1x40 h SER 24 CO -0.00 1.64 -0.06 2.30 -0.53 0.00 0.00 176.83 180.18 1x40 n ILE 25 N -3.82 0.00 -2.85 2.23 -5.35 0.14 -4.93 119.36 104.78 1x40 n ILE 25 Ca -0.17 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 61.95 1x40 n ILE 25 Cb 1.03 0.60 0.03 0.00 -1.74 0.00 0.00 39.64 39.56 1x40 n ILE 25 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x40 n ASN 26 N 0.12 -3.88 -0.43 7.28 2.85 0.17 -4.94 115.26 116.43 1x40 n ASN 26 Ca 0.17 -0.20 0.07 0.00 -0.11 0.00 0.00 54.58 54.51 1x40 n ASN 26 Cb 0.38 -2.57 0.15 0.00 1.24 0.00 0.00 39.78 38.98 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x40 n LEU 27 N -2.35 2.19 0.29 1.20 7.99 -0.74 -4.75 117.00 120.83 1x40 n LEU 27 Ca -0.02 -3.15 0.19 0.00 -0.01 0.00 0.00 56.01 53.02 1x40 n LEU 27 Cb 0.54 -0.40 1.00 0.00 -0.11 0.00 0.00 43.42 44.45 1x40 n LEU 27 CO 0.27 0.93 1.09 1.05 -1.51 0.00 0.00 177.39 179.22 1x40 h GLU 28 N 0.48 0.00 0.00 3.23 -0.00 -1.91 -1.14 114.58 115.24 1x40 h GLU 28 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1x40 h GLU 28 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.86 1x40 h GLU 28 CO 0.01 0.00 0.03 -0.56 -0.00 0.00 0.00 179.01 178.49 1x40 h GLN 29 N 0.00 0.00 -0.61 1.06 3.07 -1.95 0.25 115.11 116.93 1x40 h GLN 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x40 h GLN 29 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 1x40 h GLN 29 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1x40 n TYR 30 N -2.74 1.32 -0.33 0.06 4.01 -0.43 -4.49 117.16 114.56 1x40 n TYR 30 Ca -0.02 -0.61 -0.00 0.00 -0.16 0.00 0.00 57.90 57.11 1x40 n TYR 30 Cb 0.08 -0.20 0.13 0.00 -0.31 0.00 0.00 39.34 39.04 1x40 n TYR 30 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 3.82 0.94 0.84 7.72 5.85 -0.66 -2.60 115.31 131.21 1x40 h LEU 31 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1x40 h LEU 31 Cb 1.34 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1x40 h LEU 31 CO 0.19 0.63 -0.40 0.25 -0.34 0.00 0.00 178.44 178.76 1x40 h LEU 32 N 1.09 -0.95 -0.79 2.25 7.12 -1.80 -0.10 115.31 122.12 1x40 h LEU 32 Ca 0.37 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.50 1x40 h LEU 32 Cb 0.07 0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 40.33 1x40 h LEU 32 CO -0.14 -0.63 -0.52 0.45 -0.13 0.00 0.00 178.44 177.47 1x40 h HIS 33 N -1.23 -1.61 0.22 1.25 3.86 -1.84 0.25 115.15 116.05 1x40 h HIS 33 Ca -0.12 0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1x40 h HIS 33 Cb 0.87 0.81 -0.01 0.00 1.06 0.00 0.00 27.41 30.14 1x40 h HIS 33 CO -0.00 -0.41 -0.20 0.74 0.86 0.00 0.00 177.93 178.91 1x40 h PHE 34 N -0.13 -0.53 -0.01 2.45 0.04 -1.47 -0.02 116.94 117.27 1x40 h PHE 34 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1x40 h PHE 34 Cb 0.51 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1x40 h PHE 34 CO -0.88 -0.30 -0.08 0.45 -0.60 0.00 0.00 178.31 176.90 1x40 h HIS 35 N -0.45 -0.22 -1.01 -0.55 3.86 0.37 0.66 115.15 117.80 1x40 h HIS 35 Ca -0.01 0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.46 1x40 h HIS 35 Cb 0.41 0.10 -0.12 0.00 1.06 0.00 0.00 27.41 28.86 1x40 h HIS 35 CO -0.14 -0.08 0.61 0.93 0.86 0.00 0.00 177.93 180.11 1x40 h GLU 36 N -0.09 0.55 0.00 2.45 4.39 -0.59 0.70 114.58 122.00 1x40 h GLU 36 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1x40 h GLU 36 Cb 0.10 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1x40 h GLU 36 CO -0.06 0.37 -0.03 1.03 -1.16 0.00 0.00 179.01 179.16 1x40 h SER 37 N 0.57 0.00 0.00 1.42 0.87 0.00 -3.45 113.55 112.96 1x40 h SER 37 Ca 0.63 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1x40 h SER 37 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x40 h SER 37 CO -0.44 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.50 1x40 n GLY 38 N -1.34 1.76 3.17 5.77 0.00 0.24 -5.07 105.19 109.72 1x40 n GLY 38 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.50 -0.07 1.61 0.08 0.07 -4.92 117.98 116.25 1x40 s PHE 39 Ca 0.00 -2.14 0.01 0.00 0.12 0.00 0.00 56.93 54.92 1x40 s PHE 39 Cb 0.00 -3.24 -0.25 0.00 -0.57 0.00 0.00 43.02 38.95 1x40 s PHE 39 CO 0.00 -0.96 0.56 1.79 -0.10 0.00 0.00 175.22 176.51 1x40 h THR 40 N 6.27 0.80 -4.45 0.64 1.35 -1.88 -3.30 112.91 112.34 1x40 h THR 40 Ca -0.17 -2.55 -0.38 0.00 -0.55 0.00 0.00 66.41 62.76 1x40 h THR 40 Cb 1.06 2.53 -0.08 0.00 -1.73 0.00 0.00 68.15 69.93 1x40 h THR 40 CO 0.75 0.74 -0.29 0.35 -0.25 0.00 0.00 175.52 176.82 1x40 n THR 41 N -3.33 0.00 0.08 6.82 -2.24 -1.26 -0.01 114.28 114.35 1x40 n THR 41 Ca -0.24 -1.46 -0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1x40 n THR 41 Cb 1.05 0.38 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.26 1.50 -0.86 2.28 2.07 -1.80 -3.31 116.25 117.39 1x40 h VAL 42 Ca -0.23 -3.12 0.12 0.00 0.82 0.00 0.00 66.70 64.28 1x40 h VAL 42 Cb 0.76 2.88 -0.08 0.00 -1.52 0.00 0.00 31.29 33.33 1x40 h VAL 42 CO 0.38 0.90 0.49 0.50 0.02 0.00 0.00 177.57 179.85 1x40 h LYS 43 N 0.05 0.73 0.00 1.57 1.63 -1.97 0.40 116.57 118.98 1x40 h LYS 43 Ca -0.12 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1x40 h LYS 43 Cb 1.92 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 1x40 h LYS 43 CO 0.18 0.49 0.00 -0.25 -3.45 0.00 0.00 179.45 176.41 1x40 n ASP 44 N -4.77 0.00 -0.80 4.20 9.92 -1.25 -0.44 116.55 123.41 1x40 n ASP 44 Ca 0.16 0.44 0.12 0.00 -0.53 0.00 0.00 54.79 54.98 1x40 n ASP 44 Cb 0.35 -0.45 0.30 0.00 -0.64 0.00 0.00 41.12 40.68 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x40 h ALA 46 N 4.37 1.70 0.00 0.00 0.00 -0.81 -2.52 119.26 121.99 1x40 h ALA 46 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1x40 h ALA 46 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1x40 h ALA 46 CO 0.00 0.21 -1.64 0.00 0.00 0.00 0.00 179.25 177.82 1x40 n ALA 47 N -2.50 2.52 -1.64 0.00 0.00 -1.26 -4.96 120.51 112.67 1x40 n ALA 47 Ca -0.02 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 1x40 n ALA 47 Cb 0.23 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 18.88 1x40 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x40 n ILE 48 N -2.50 3.59 -4.34 0.00 5.41 -0.95 -5.02 119.36 115.55 1x40 n ILE 48 Ca -0.05 -0.50 -0.21 0.00 1.00 0.00 0.00 62.75 62.98 1x40 n ILE 48 Cb 0.64 -1.25 -0.11 0.00 -0.71 0.00 0.00 39.64 38.21 1x40 n ILE 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1x40 s ASN 49 N -1.12 2.70 0.44 4.38 3.04 -1.26 -5.01 114.94 118.10 1x40 s ASN 49 Ca 0.74 -0.89 0.21 0.00 0.04 0.00 0.00 52.86 52.96 1x40 s ASN 49 Cb -0.43 -0.16 1.18 0.00 -1.54 0.00 0.00 41.25 40.30 1x40 s ASN 49 CO 0.49 -0.05 1.82 0.44 -3.04 0.00 0.00 177.10 176.75 1x40 h ASP 50 N 3.11 0.34 0.63 -4.21 5.19 -1.98 0.60 116.42 120.09 1x40 h ASP 50 Ca -0.41 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 55.95 1x40 h ASP 50 Cb 1.21 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1x40 h ASP 50 CO 0.53 0.10 -0.46 -1.28 -3.12 0.00 0.00 179.24 175.01 1x40 h SER 51 N 0.32 0.00 -0.17 6.45 0.87 -2.00 -3.14 113.55 115.87 1x40 h SER 51 Ca 0.52 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.00 1x40 h SER 51 Cb 1.47 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1x40 h SER 51 CO -0.19 0.46 -0.21 0.25 -0.53 0.00 0.00 176.83 176.61 1x40 h LEU 52 N 0.00 0.48 -0.59 2.23 5.85 -0.20 -2.84 115.31 120.24 1x40 h LEU 52 Ca -0.00 -0.50 0.12 0.00 0.84 0.00 0.00 57.88 58.34 1x40 h LEU 52 Cb 0.90 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1x40 h LEU 52 CO 0.06 0.88 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.93 1x40 h LEU 53 N 0.10 -0.34 -0.04 2.25 -0.00 -1.40 0.81 115.31 116.69 1x40 h LEU 53 Ca 0.02 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1x40 h LEU 53 Cb 0.76 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1x40 h LEU 53 CO 0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 178.44 178.36 1x40 n GLN 54 N -5.31 0.02 0.02 1.13 10.64 -1.22 -2.46 117.38 120.21 1x40 n GLN 54 Ca 0.08 0.20 -0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1x40 n GLN 54 Cb 0.33 -1.53 -0.09 0.00 -0.86 0.00 0.00 30.24 28.10 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 -1.56 0.62 0.19 2.61 4.81 0.26 -3.96 118.16 121.14 1x40 n LYS 55 Ca 0.04 0.21 0.08 0.00 -0.87 0.00 0.00 58.31 57.77 1x40 n LYS 55 Cb 0.22 -1.79 0.11 0.00 0.02 0.00 0.00 35.03 33.59 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 0.00 0.38 0.00 3.15 3.07 -0.60 -3.47 117.51 120.04 1x40 h ILE 56 Ca -0.18 -1.53 0.00 0.00 1.55 0.00 0.00 64.86 64.70 1x40 h ILE 56 Cb 1.61 2.19 0.00 0.00 -0.27 0.00 0.00 36.82 40.34 1x40 h ILE 56 CO 0.04 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 1x40 n GLY 57 N 1.15 2.75 3.13 0.16 0.00 -1.18 -4.84 105.19 106.36 1x40 n GLY 57 Ca 0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.09 -4.76 119.36 118.47 1x40 n ILE 58 Ca 0.00 -0.17 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 1x40 n ILE 58 Cb 0.00 -0.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.60 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 10.39 -0.41 -3.19 4.38 0.87 -1.88 -3.36 113.55 120.36 1x40 h SER 59 Ca -0.01 -0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 59.92 1x40 h SER 59 Cb 1.11 0.10 0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1x40 h SER 59 CO 1.32 0.05 0.68 -2.16 -0.53 0.00 0.00 176.83 176.19 1x40 s PRO 60 N -3.61 4.36 -0.00 2.24 0.04 -1.26 -4.95 135.00 131.82 1x40 s PRO 60 Ca -0.10 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 1x40 s PRO 60 Cb 0.01 -3.23 -0.19 0.00 0.04 0.00 0.00 34.50 31.13 1x40 s PRO 60 CO 0.35 -0.34 1.23 1.15 0.04 0.00 0.00 177.00 179.44 1x40 h THR 61 N 4.05 1.41 -0.70 1.26 2.02 -2.01 -3.27 112.91 115.67 1x40 h THR 61 Ca -0.43 -1.44 0.18 0.00 0.77 0.00 0.00 66.41 65.49 1x40 h THR 61 Cb 1.21 2.21 -0.13 0.00 -1.74 0.00 0.00 68.15 69.70 1x40 h THR 61 CO 0.82 0.40 -0.02 0.61 0.37 0.00 0.00 175.52 177.70 1x40 n GLY 62 N 0.44 -0.99 0.27 2.16 0.00 -1.26 0.23 105.19 106.04 1x40 n GLY 62 Ca -0.08 0.69 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 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 0.88 -0.45 1.61 -0.00 -1.98 -2.80 115.15 112.41 1x40 h HIS 63 Ca 0.40 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.81 1x40 h HIS 63 Cb 0.80 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.88 1x40 h HIS 63 CO -0.39 0.64 0.15 0.00 -0.00 0.00 0.00 177.93 178.33 1x40 h ARG 64 N 0.86 0.31 -0.83 2.45 3.08 0.29 0.12 114.38 120.65 1x40 h ARG 64 Ca 0.22 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.35 1x40 h ARG 64 Cb 0.06 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 1x40 h ARG 64 CO -0.03 0.20 0.48 0.00 -1.07 0.00 0.00 179.97 179.55 1x40 h ARG 65 N 0.32 0.78 -0.19 0.04 2.47 -1.13 -0.06 114.38 116.61 1x40 h ARG 65 Ca 0.21 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.79 1x40 h ARG 65 Cb 0.22 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1x40 h ARG 65 CO -0.22 0.52 -0.26 -0.09 0.56 0.00 0.00 179.97 180.48 1x40 h ARG 66 N 0.81 0.50 0.53 0.04 2.43 -1.14 -2.28 114.38 115.28 1x40 h ARG 66 Ca 0.40 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1x40 h ARG 66 Cb 0.36 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1x40 h ARG 66 CO -0.25 0.88 -0.34 0.82 -1.51 0.00 0.00 179.97 179.58 1x40 h ILE 67 N 0.16 0.00 -0.61 1.20 2.04 -0.17 -2.85 117.51 117.27 1x40 h ILE 67 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.00 1x40 h ILE 67 Cb 0.82 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 1x40 h ILE 67 CO 0.06 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.24 1x40 h LEU 68 N -0.82 -0.07 -0.65 1.44 3.38 -1.14 -1.56 115.31 115.89 1x40 h LEU 68 Ca -0.07 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1x40 h LEU 68 Cb 0.66 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1x40 h LEU 68 CO 0.06 -0.03 -0.45 0.50 0.09 0.00 0.00 178.44 178.62 1x40 h LYS 69 N 0.22 -0.08 0.11 1.13 3.64 -1.27 -1.11 116.57 119.22 1x40 h LYS 69 Ca 0.32 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1x40 h LYS 69 Cb 0.50 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1x40 h LYS 69 CO -0.44 -0.05 -0.06 1.96 -2.27 0.00 0.00 179.45 178.59 1x40 h GLN 70 N -0.08 -0.16 -0.85 1.90 1.08 -1.22 -2.61 115.11 113.17 1x40 h GLN 70 Ca 0.11 0.01 0.33 0.00 -1.45 0.00 0.00 58.65 57.65 1x40 h GLN 70 Cb 0.35 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.66 1x40 h GLN 70 CO -0.65 -0.11 0.38 1.28 -0.95 0.00 0.00 178.83 178.78 1x40 n LEU 71 N -5.17 0.23 0.19 1.46 4.77 -0.50 0.17 117.00 118.15 1x40 n LEU 71 Ca -0.08 1.41 -0.12 0.00 -0.03 0.00 0.00 56.01 57.19 1x40 n LEU 71 Cb 0.10 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1x40 n LEU 71 CO 0.34 -1.56 0.40 1.56 -1.33 0.00 0.00 177.39 176.80 1x40 h GLN 72 N 0.00 -0.51 -0.26 3.23 1.08 -0.95 -1.82 115.11 115.88 1x40 h GLN 72 Ca 0.68 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.98 1x40 h GLN 72 Cb 1.76 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 29.23 1x40 h GLN 72 CO -0.68 -0.21 -0.34 0.82 -0.95 0.00 0.00 178.83 177.47 1x40 h ILE 73 N -0.98 0.24 0.37 2.54 2.04 -0.17 -2.28 117.51 119.26 1x40 h ILE 73 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1x40 h ILE 73 Cb 0.54 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x40 h ILE 73 CO 0.09 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.31 1x40 h ILE 74 N -0.34 0.00 -0.71 -0.67 2.04 -1.01 -2.73 117.51 114.08 1x40 h ILE 74 Ca 0.13 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.14 1x40 h ILE 74 Cb 0.55 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.50 1x40 h ILE 74 CO -0.45 0.00 -0.14 0.18 0.00 0.00 0.00 178.15 177.75 1x40 n LEU 75 N -4.41 -0.22 -0.24 1.44 4.77 -0.68 0.17 117.00 117.82 1x40 n LEU 75 Ca -0.08 1.23 0.04 0.00 -0.03 0.00 0.00 56.01 57.16 1x40 n LEU 75 Cb 0.31 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 41.15 1x40 n LEU 75 CO 0.18 -1.19 0.81 -1.28 -1.33 0.00 0.00 177.39 174.59 1x40 h SER 76 N 0.00 -0.37 -0.41 -1.43 0.87 -1.09 0.12 113.55 111.24 1x40 h SER 76 Ca 0.36 0.19 0.08 0.00 -1.23 0.00 0.00 61.79 61.19 1x40 h SER 76 Cb 0.60 0.34 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 1x40 h SER 76 CO -0.72 -0.17 -0.06 0.11 -0.53 0.00 0.00 176.83 175.45 1x40 h LYS 77 N 0.09 0.04 -4.74 2.24 1.79 0.17 -3.22 116.57 112.93 1x40 h LYS 77 Ca 0.39 -0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.28 1x40 h LYS 77 Cb 0.66 -0.01 0.05 0.00 -1.58 0.00 0.00 32.23 31.36 1x40 h LYS 77 CO -0.65 0.03 1.87 -1.33 -1.08 0.00 0.00 179.45 178.29 1x40 n MET 78 N -5.27 1.18 -2.62 3.15 2.81 0.03 -4.91 117.12 111.49 1x40 n MET 78 Ca 0.03 -1.77 -0.40 0.00 -1.81 0.00 0.00 57.70 53.75 1x40 n MET 78 Cb 0.22 -2.99 -0.05 0.00 -0.71 0.00 0.00 33.22 29.69 1x40 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1x40 s GLN 79 N 5.72 4.70 -0.36 0.03 -0.44 -1.22 -4.91 119.66 123.17 1x40 s GLN 79 Ca 0.62 1.61 -0.06 0.00 -2.50 0.00 0.00 55.36 55.04 1x40 s GLN 79 Cb 0.12 -3.15 -0.17 0.00 -1.64 0.00 0.00 33.01 28.16 1x40 s GLN 79 CO 0.17 0.32 2.81 -0.40 0.50 0.00 0.00 175.29 178.70 1x40 n ASP 80 N 1.18 4.84 -4.80 6.67 5.68 -1.26 -4.91 116.55 123.95 1x40 n ASP 80 Ca -0.01 -2.31 -0.33 0.00 -0.50 0.00 0.00 54.79 51.64 1x40 n ASP 80 Cb 0.46 -1.16 -0.02 0.00 -1.14 0.00 0.00 41.12 39.26 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1x40 s ILE 81 N 1.84 3.81 0.80 2.12 -5.25 -1.26 -5.03 121.20 118.22 1x40 s ILE 81 Ca 0.53 1.02 -0.11 0.00 -0.99 0.00 0.00 60.65 61.10 1x40 s ILE 81 Cb 0.22 -3.43 0.07 0.00 2.95 0.00 0.00 42.46 42.26 1x40 s ILE 81 CO -0.01 -0.35 1.09 -2.16 -1.79 0.00 0.00 174.94 171.72 1x40 s PRO 82 N -3.57 2.06 -0.50 0.37 0.04 -1.26 -4.95 135.00 127.19 1x40 s PRO 82 Ca 0.66 1.10 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1x40 s PRO 82 Cb -0.16 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x40 s PRO 82 CO 0.27 -1.76 1.36 0.42 0.04 0.00 0.00 177.00 177.32 1x40 s ILE 83 N -2.91 3.90 -0.07 0.56 -1.09 -1.26 -4.88 121.20 115.45 1x40 s ILE 83 Ca 0.62 0.85 -0.26 0.00 -2.23 0.00 0.00 60.65 59.63 1x40 s ILE 83 Cb -0.17 -4.40 -0.24 0.00 -1.58 0.00 0.00 42.46 36.07 1x40 s ILE 83 CO 0.56 -1.02 1.00 1.88 -1.23 0.00 0.00 174.94 176.13 1x40 h TYR 84 N 10.59 0.16 -3.84 3.97 -1.99 -2.06 -3.47 116.97 120.35 1x40 h TYR 84 Ca -0.26 -0.09 -0.37 0.00 2.00 0.00 0.00 58.73 60.01 1x40 h TYR 84 Cb 1.09 -0.02 -0.20 0.00 2.00 0.00 0.00 36.73 39.60 1x40 h TYR 84 CO 1.00 0.90 -0.76 0.00 -0.00 0.00 0.00 178.16 179.30 1x40 s ALA 85 N -3.06 1.12 -0.84 3.88 0.00 -1.26 -5.10 121.76 116.50 1x40 s ALA 85 Ca -0.17 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.59 1x40 s ALA 85 Cb 0.00 -0.04 0.21 0.00 0.00 0.00 0.00 23.12 23.29 1x40 s ALA 85 CO 0.72 0.08 0.80 0.45 0.00 0.00 0.00 175.76 177.81 1x40 s SER 86 N -2.02 6.77 0.00 0.00 0.15 -1.26 -5.03 113.70 112.31 1x40 s SER 86 Ca 0.01 -2.66 0.00 0.00 0.70 0.00 0.00 55.95 53.99 1x40 s SER 86 Cb -0.07 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1x40 s SER 86 CO 0.02 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1x40 n GLY 87 N 4.06 0.48 3.58 9.45 0.00 -1.26 -4.96 105.19 116.54 1x40 n GLY 87 Ca 0.15 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 1.22 3.09 0.05 1.61 0.04 -1.26 -4.91 135.00 134.83 1x40 s PRO 88 Ca 0.00 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 1x40 s PRO 88 Cb 0.00 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.20 1x40 s PRO 88 CO 0.00 -2.16 1.29 1.03 0.04 0.00 0.00 177.00 177.20 1x40 h SER 89 N 13.38 -0.75 -3.25 6.66 0.87 -2.00 -3.44 113.55 125.02 1x40 h SER 89 Ca -0.30 0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.15 1x40 h SER 89 Cb 1.16 0.25 -0.29 0.00 -0.44 0.00 0.00 62.40 63.08 1x40 h SER 89 CO 1.11 -0.34 -0.44 -0.94 -0.53 0.00 0.00 176.83 175.69 1x40 s SER 90 N -3.40 -0.26 0.00 6.23 1.04 -1.26 -5.12 113.70 110.94 1x40 s SER 90 Ca -0.09 0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1x40 s SER 90 Cb 0.02 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1x40 s SER 90 CO 0.31 -0.18 0.21 0.61 0.98 0.00 0.00 173.24 175.18