#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u72 n GLY 2 N 0.00 0.80 3.79 2.92 0.00 0.35 -5.02 105.19 108.03 1u72 n GLY 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1u72 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u72 s SER 3 N -1.00 6.42 -0.29 1.61 0.01 -1.26 -4.82 113.70 114.37 1u72 s SER 3 Ca 0.00 2.05 -0.06 0.00 1.31 0.00 0.00 55.95 59.25 1u72 s SER 3 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1u72 s SER 3 CO 0.00 -0.73 0.06 -0.22 0.41 0.00 0.00 173.24 172.75 1u72 s LEU 4 N -3.12 3.72 0.03 2.44 2.96 -1.26 0.80 118.68 124.25 1u72 s LEU 4 Ca 0.64 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1u72 s LEU 4 Cb -0.21 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1u72 s LEU 4 CO 0.26 -0.18 -0.06 0.20 -1.32 0.00 0.00 176.35 175.25 1u72 s ASN 5 N 1.47 0.65 0.15 3.68 0.01 -0.45 -3.60 114.94 116.85 1u72 s ASN 5 Ca 0.02 -0.44 0.06 0.00 -0.71 0.00 0.00 52.86 51.80 1u72 s ASN 5 Cb -0.17 0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.48 1u72 s ASN 5 CO 0.01 -0.17 0.01 0.00 -1.51 0.00 0.00 177.10 175.44 1u72 s ILE 7 N -1.59 -0.03 0.09 0.00 2.07 -0.90 -2.22 121.20 118.62 1u72 s ILE 7 Ca 0.27 0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 59.43 1u72 s ILE 7 Cb -0.10 -0.33 0.05 0.00 0.13 0.00 0.00 42.46 42.21 1u72 s ILE 7 CO 0.19 0.05 0.49 0.54 -1.91 0.00 0.00 174.94 174.30 1u72 s VAL 8 N 0.99 0.04 -0.14 4.00 0.11 -1.06 -4.54 120.40 119.80 1u72 s VAL 8 Ca -0.07 -0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1u72 s VAL 8 Cb -0.09 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1u72 s VAL 8 CO -0.06 -0.17 -0.10 0.00 -3.33 0.00 0.00 175.10 171.44 1u72 s ALA 9 N -3.11 1.59 0.05 1.54 0.00 -1.26 -0.49 121.76 120.08 1u72 s ALA 9 Ca -0.02 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1u72 s ALA 9 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1u72 s ALA 9 CO -0.07 -0.50 -0.22 0.14 0.00 0.00 0.00 175.76 175.11 1u72 s VAL 10 N 1.59 1.78 0.43 0.00 -7.23 -1.00 -4.61 120.40 111.37 1u72 s VAL 10 Ca 0.04 -1.28 -0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1u72 s VAL 10 Cb -0.13 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 1u72 s VAL 10 CO -0.09 0.21 0.65 -0.94 -0.31 0.00 0.00 175.10 174.62 1u72 s SER 11 N -1.27 5.98 0.54 4.85 1.04 -1.14 0.12 113.70 123.82 1u72 s SER 11 Ca 0.08 0.38 0.38 0.00 0.48 0.00 0.00 55.95 57.28 1u72 s SER 11 Cb -0.09 -1.71 1.57 0.00 0.10 0.00 0.00 66.02 65.89 1u72 s SER 11 CO 0.02 -0.59 1.77 -0.61 0.98 0.00 0.00 173.24 174.81 1u72 h GLN 12 N 0.47 0.01 -0.68 4.02 4.15 0.26 0.45 115.11 123.79 1u72 h GLN 12 Ca -0.47 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1u72 h GLN 12 Cb 1.24 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1u72 h GLN 12 CO 0.59 0.01 0.00 0.27 -1.93 0.00 0.00 178.83 177.76 1u72 n ASN 13 N -4.16 3.37 -3.48 -0.69 6.94 -1.26 -4.93 115.26 111.05 1u72 n ASN 13 Ca 0.28 -2.40 -0.19 0.00 -0.02 0.00 0.00 54.58 52.26 1u72 n ASN 13 Cb 1.35 -0.53 0.09 0.00 -2.36 0.00 0.00 39.78 38.33 1u72 n ASN 13 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1u72 n MET 14 N 0.46 -6.84 -4.66 -3.83 1.56 0.16 -5.00 117.12 98.96 1u72 n MET 14 Ca 0.16 0.84 -0.24 0.00 -0.27 0.00 0.00 57.70 58.18 1u72 n MET 14 Cb 0.69 -5.84 -0.16 0.00 2.15 0.00 0.00 33.22 30.05 1u72 n MET 14 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1u72 s GLY 15 N -4.14 0.80 -0.01 -5.12 0.00 -1.25 -3.23 107.32 94.37 1u72 s GLY 15 Ca 0.13 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.42 1u72 s GLY 15 CO 0.73 -0.15 0.29 0.29 0.00 0.00 0.00 173.10 174.26 1u72 n ILE 16 N 3.38 0.00 -3.68 0.90 -5.35 -0.45 -2.89 119.36 111.27 1u72 n ILE 16 Ca -0.20 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 1u72 n ILE 16 Cb 0.53 0.49 -0.06 0.00 -1.74 0.00 0.00 39.64 38.87 1u72 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1u72 s GLY 17 N -2.80 -0.21 -0.16 3.28 0.00 -1.11 -4.48 107.32 101.84 1u72 s GLY 17 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.63 1u72 s GLY 17 CO 0.42 -0.28 0.25 1.25 0.00 0.00 0.00 173.10 174.74 1u72 s LYS 18 N -3.40 0.16 -1.35 2.90 2.20 0.95 -0.71 119.74 120.49 1u72 s LYS 18 Ca 0.01 0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 56.07 1u72 s LYS 18 Cb 0.01 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1u72 s LYS 18 CO -0.09 -0.44 0.47 0.09 -0.36 0.00 0.00 175.35 175.02 1u72 n ASN 19 N 5.34 -1.52 0.00 1.43 3.02 -1.26 -1.62 115.26 120.65 1u72 n ASN 19 Ca -0.06 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1u72 n ASN 19 Cb 0.50 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 1u72 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u72 n GLY 20 N -1.99 2.24 0.45 7.41 0.00 -1.26 -5.01 105.19 107.02 1u72 n GLY 20 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1u72 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u72 n ASP 21 N 0.00 1.07 -4.85 1.61 -0.08 -0.64 -4.61 116.55 109.05 1u72 n ASP 21 Ca 0.00 -1.29 -0.32 0.00 -1.51 0.00 0.00 54.79 51.67 1u72 n ASP 21 Cb 0.00 0.13 -0.02 0.00 2.34 0.00 0.00 41.12 43.57 1u72 n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1u72 s LEU 22 N 0.00 3.53 0.54 -2.67 1.43 -1.26 -0.04 118.68 120.22 1u72 s LEU 22 Ca 0.03 1.54 0.33 0.00 -1.03 0.00 0.00 54.13 55.00 1u72 s LEU 22 Cb 0.00 -4.50 1.30 0.00 0.03 0.00 0.00 46.19 43.02 1u72 s LEU 22 CO 0.02 -0.67 1.96 -0.65 0.23 0.00 0.00 176.35 177.24 1u72 h PRO 23 N 0.62 0.00 -6.27 1.29 0.11 -1.84 -3.41 132.00 122.50 1u72 h PRO 23 Ca -0.46 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.07 1u72 h PRO 23 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1u72 h PRO 23 CO 0.61 0.00 -0.64 1.67 -0.21 0.00 0.00 178.00 179.44 1u72 s TRP 24 N -3.64 2.82 0.80 0.65 -2.14 -1.26 -4.77 118.94 111.41 1u72 s TRP 24 Ca 0.02 -0.16 -0.14 0.00 2.66 0.00 0.00 56.10 58.47 1u72 s TRP 24 Cb 0.09 -1.31 0.03 0.00 -3.10 0.00 0.00 33.47 29.17 1u72 s TRP 24 CO 0.55 0.56 0.84 -2.30 -2.66 0.00 0.00 176.95 173.94 1u72 n PRO 25 N -0.53 0.18 -2.34 3.25 -0.02 -1.26 -4.84 135.00 129.43 1u72 n PRO 25 Ca -0.08 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 1u72 n PRO 25 Cb 0.57 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1u72 n PRO 25 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1u72 s PRO 26 N -3.54 4.37 -0.39 0.52 0.05 -1.26 -4.97 135.00 129.78 1u72 s PRO 26 Ca 0.68 1.85 -0.11 0.00 0.05 0.00 0.00 61.00 63.47 1u72 s PRO 26 Cb -0.30 -3.39 0.04 0.00 0.05 0.00 0.00 34.50 30.89 1u72 s PRO 26 CO 0.56 -0.37 0.23 -0.51 0.05 0.00 0.00 177.00 176.95 1u72 s LEU 27 N 1.45 4.83 0.40 -3.56 1.43 -1.26 -4.97 118.68 116.99 1u72 s LEU 27 Ca 0.60 -1.07 0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1u72 s LEU 27 Cb -0.31 -2.03 1.18 0.00 0.03 0.00 0.00 46.19 45.06 1u72 s LEU 27 CO 0.28 -0.42 1.84 0.03 0.23 0.00 0.00 176.35 178.31 1u72 h ARG 28 N 8.46 0.00 0.00 1.70 3.08 -1.99 -2.17 114.38 123.45 1u72 h ARG 28 Ca -0.25 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 1u72 h ARG 28 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1u72 h ARG 28 CO 0.69 0.00 -1.25 -0.91 -1.07 0.00 0.00 179.97 177.43 1u72 h ASN 29 N 0.00 0.00 -0.07 7.04 2.35 -1.98 -1.94 115.58 120.97 1u72 h ASN 29 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1u72 h ASN 29 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1u72 h ASN 29 CO 0.00 0.59 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.27 1u72 h GLU 30 N 0.00 0.14 -0.61 0.81 4.22 -1.94 -2.19 114.58 115.01 1u72 h GLU 30 Ca -0.13 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.18 1u72 h GLU 30 Cb 1.57 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 1u72 h GLU 30 CO 0.05 0.46 0.11 0.74 -2.18 0.00 0.00 179.01 178.20 1u72 h PHE 31 N -0.19 1.04 -0.21 0.92 0.04 -1.48 -2.40 116.94 114.66 1u72 h PHE 31 Ca 0.02 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.72 1u72 h PHE 31 Cb 0.41 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 1u72 h PHE 31 CO 0.05 0.87 -0.20 0.00 -0.60 0.00 0.00 178.31 178.43 1u72 h ARG 32 N 0.93 -0.20 -0.21 1.51 3.08 -1.10 -1.11 114.38 117.28 1u72 h ARG 32 Ca 0.19 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1u72 h ARG 32 Cb 0.39 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1u72 h ARG 32 CO 0.01 -0.14 0.11 -0.92 -1.07 0.00 0.00 179.97 177.96 1u72 h TYR 33 N -0.21 0.29 -0.32 3.04 5.03 -1.40 -0.42 116.97 122.98 1u72 h TYR 33 Ca 0.13 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.50 1u72 h TYR 33 Cb 0.40 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.52 1u72 h TYR 33 CO -0.35 0.27 -0.18 0.35 -1.32 0.00 0.00 178.16 176.93 1u72 h PHE 34 N 0.23 -0.44 -0.36 -3.82 3.57 -1.17 0.18 116.94 115.13 1u72 h PHE 34 Ca 0.07 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1u72 h PHE 34 Cb 0.07 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1u72 h PHE 34 CO -0.04 -0.25 -0.17 0.37 -2.23 0.00 0.00 178.31 175.99 1u72 h GLN 35 N -0.13 0.66 -0.12 1.11 4.15 -1.02 -2.66 115.11 117.09 1u72 h GLN 35 Ca 0.16 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1u72 h GLN 35 Cb 0.39 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1u72 h GLN 35 CO -0.40 0.80 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.13 1u72 h ARG 36 N 0.59 0.27 -0.34 1.69 2.43 -0.46 -2.11 114.38 116.45 1u72 h ARG 36 Ca 0.10 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1u72 h ARG 36 Cb 0.62 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1u72 h ARG 36 CO 0.04 0.62 0.11 0.52 -1.51 0.00 0.00 179.97 179.75 1u72 h MET 37 N -0.09 0.52 0.06 0.20 2.86 -0.64 -1.99 114.93 115.85 1u72 h MET 37 Ca 0.03 -0.11 -0.24 0.00 -2.06 0.00 0.00 59.70 57.32 1u72 h MET 37 Cb 0.54 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1u72 h MET 37 CO 0.02 0.55 -1.10 1.79 1.06 0.00 0.00 176.91 179.23 1u72 h THR 38 N 0.39 1.60 0.06 2.22 1.35 -1.59 -3.35 112.91 113.58 1u72 h THR 38 Ca 0.11 -3.18 -0.28 0.00 -0.55 0.00 0.00 66.41 62.51 1u72 h THR 38 Cb 0.24 2.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1u72 h THR 38 CO -0.00 0.92 -1.43 0.74 -0.25 0.00 0.00 175.52 175.50 1u72 h THR 39 N 0.04 1.23 -2.98 6.82 2.02 -1.42 -3.42 112.91 115.21 1u72 h THR 39 Ca -0.07 -2.95 -0.54 0.00 0.77 0.00 0.00 66.41 63.62 1u72 h THR 39 Cb 1.84 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.95 1u72 h THR 39 CO 0.16 0.78 0.77 -0.89 0.37 0.00 0.00 175.52 176.71 1u72 s THR 40 N -2.64 3.74 -0.17 3.16 2.01 -0.75 -4.66 115.64 116.34 1u72 s THR 40 Ca -0.05 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.09 1u72 s THR 40 Cb 0.08 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1u72 s THR 40 CO 0.84 0.03 -0.08 -0.55 -0.69 0.00 0.00 174.62 174.16 1u72 s SER 41 N 1.60 4.28 0.00 3.53 0.15 -1.26 -4.91 113.70 117.09 1u72 s SER 41 Ca 0.62 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 57.21 1u72 s SER 41 Cb -0.31 -1.69 1.43 0.00 -1.71 0.00 0.00 66.02 63.73 1u72 s SER 41 CO 0.27 0.10 1.80 -1.54 1.20 0.00 0.00 173.24 175.06 1u72 n SER 42 N 3.99 0.00 -3.80 5.45 3.41 -1.26 -4.67 113.62 116.74 1u72 n SER 42 Ca -0.18 -0.76 -0.23 0.00 -0.26 0.00 0.00 58.87 57.44 1u72 n SER 42 Cb 0.52 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.30 1u72 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u72 s VAL 43 N -2.00 0.45 0.27 -3.33 1.01 -1.26 -5.13 120.40 110.41 1u72 s VAL 43 Ca 0.36 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 1u72 s VAL 43 Cb 0.16 -0.59 -0.12 0.00 0.00 0.00 0.00 36.38 35.84 1u72 s VAL 43 CO 0.28 0.27 1.58 1.21 0.00 0.00 0.00 175.10 178.43 1u72 n GLU 44 N 5.03 2.58 -0.49 2.72 4.07 -1.26 -2.05 120.64 131.23 1u72 n GLU 44 Ca -0.09 0.92 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 1u72 n GLU 44 Cb 0.50 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 1u72 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u72 n GLY 45 N 2.39 1.63 3.74 8.31 0.00 -1.26 -5.00 105.19 115.00 1u72 n GLY 45 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1u72 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u72 s LYS 46 N -0.08 2.69 0.26 1.61 1.02 -0.87 -4.79 119.74 119.56 1u72 s LYS 46 Ca 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 55.97 55.11 1u72 s LYS 46 Cb 0.00 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1u72 s LYS 46 CO 0.00 0.48 -0.12 -0.65 -0.92 0.00 0.00 175.35 174.14 1u72 s GLN 47 N -3.00 1.51 0.15 1.68 -0.21 0.72 -4.81 119.66 115.71 1u72 s GLN 47 Ca 0.29 -1.72 -0.07 0.00 0.02 0.00 0.00 55.36 53.88 1u72 s GLN 47 Cb -0.10 -1.29 -0.06 0.00 1.00 0.00 0.00 33.01 32.57 1u72 s GLN 47 CO 0.21 0.15 0.42 -0.80 -2.12 0.00 0.00 175.29 173.15 1u72 s ASN 48 N -3.42 6.56 -0.14 5.90 0.01 -1.26 -0.03 114.94 122.56 1u72 s ASN 48 Ca 0.27 0.72 -0.04 0.00 -0.71 0.00 0.00 52.86 53.10 1u72 s ASN 48 Cb 0.01 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 1u72 s ASN 48 CO 0.11 0.05 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.53 1u72 s LEU 49 N -2.51 3.49 -0.13 0.60 2.96 -0.85 -0.85 118.68 121.39 1u72 s LEU 49 Ca 0.41 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1u72 s LEU 49 Cb -0.12 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1u72 s LEU 49 CO 0.22 0.25 -0.15 0.68 -1.32 0.00 0.00 176.35 176.03 1u72 s VAL 50 N -0.09 2.84 -0.18 1.68 -7.23 -0.21 0.53 120.40 117.74 1u72 s VAL 50 Ca 0.04 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1u72 s VAL 50 Cb -0.13 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1u72 s VAL 50 CO 0.02 0.53 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.60 1u72 s ILE 51 N 0.45 2.98 -0.01 -0.62 1.01 0.55 -0.26 121.20 125.30 1u72 s ILE 51 Ca -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1u72 s ILE 51 Cb -0.16 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1u72 s ILE 51 CO 0.05 0.48 0.04 0.00 0.00 0.00 0.00 174.94 175.51 1u72 s MET 52 N 1.10 0.16 1.06 2.79 0.23 -0.82 -0.47 119.30 123.35 1u72 s MET 52 Ca 0.00 -0.14 -0.16 0.00 -1.03 0.00 0.00 55.69 54.36 1u72 s MET 52 Cb -0.15 0.07 0.22 0.00 -1.53 0.00 0.00 34.83 33.44 1u72 s MET 52 CO -0.03 -0.03 1.14 0.20 -2.03 0.00 0.00 175.02 174.28 1u72 s GLY 53 N -0.48 1.60 0.34 3.16 0.00 -0.50 -1.95 107.32 109.49 1u72 s GLY 53 Ca -0.05 -0.75 0.11 0.00 0.00 0.00 0.00 44.72 44.03 1u72 s GLY 53 CO -0.00 -0.02 1.76 1.70 0.00 0.00 0.00 173.10 176.55 1u72 h LYS 54 N -2.05 0.06 0.00 2.90 3.64 -1.84 -2.83 116.57 116.45 1u72 h LYS 54 Ca -0.49 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1u72 h LYS 54 Cb 1.31 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1u72 h LYS 54 CO 0.47 0.47 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.78 1u72 h LYS 55 N 0.05 0.00 -0.01 1.90 3.64 -1.92 -2.83 116.57 117.41 1u72 h LYS 55 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1u72 h LYS 55 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1u72 h LYS 55 CO 0.06 0.12 -0.14 1.15 -2.27 0.00 0.00 179.45 178.36 1u72 h THR 56 N 0.00 1.56 -0.89 1.00 2.02 -1.87 -2.98 112.91 111.75 1u72 h THR 56 Ca -0.00 -1.85 0.15 0.00 0.77 0.00 0.00 66.41 65.49 1u72 h THR 56 Cb 0.92 2.75 -0.10 0.00 -1.74 0.00 0.00 68.15 69.98 1u72 h THR 56 CO 0.01 0.50 0.48 -0.25 0.37 0.00 0.00 175.52 176.63 1u72 h TRP 57 N -0.59 0.84 0.00 3.16 2.91 -1.45 -0.65 115.95 120.16 1u72 h TRP 57 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1u72 h TRP 57 Cb 0.89 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1u72 h TRP 57 CO 0.18 0.20 0.00 1.19 -1.03 0.00 0.00 178.44 178.98 1u72 n PHE 58 N -4.84 0.34 1.02 2.65 3.01 -1.07 -2.69 117.46 115.87 1u72 n PHE 58 Ca 0.18 0.11 0.11 0.00 1.01 0.00 0.00 57.45 58.86 1u72 n PHE 58 Cb 0.46 -0.67 0.08 0.00 -0.01 0.00 0.00 39.48 39.34 1u72 n PHE 58 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1u72 n SER 59 N -1.79 0.88 -4.74 4.37 3.41 -0.26 -4.84 113.62 110.65 1u72 n SER 59 Ca 0.06 -0.72 -0.40 0.00 -0.26 0.00 0.00 58.87 57.54 1u72 n SER 59 Cb 0.32 0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 1u72 n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u72 s ILE 60 N -2.92 4.74 0.22 -1.33 1.01 -1.10 -4.95 121.20 116.87 1u72 s ILE 60 Ca 0.11 1.71 -0.32 0.00 0.00 0.00 0.00 60.65 62.15 1u72 s ILE 60 Cb 0.17 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.35 1u72 s ILE 60 CO 0.75 0.33 1.41 -2.65 0.00 0.00 0.00 174.94 174.77 1u72 n PRO 61 N 2.98 1.94 -0.33 2.79 -0.02 -1.26 -4.82 135.00 136.27 1u72 n PRO 61 Ca -0.01 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 1u72 n PRO 61 Cb 0.50 -2.35 0.13 0.00 -0.02 0.00 0.00 33.50 31.76 1u72 n PRO 61 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1u72 n GLU 62 N 2.22 -0.09 0.27 -0.52 2.13 -1.26 0.40 120.64 123.79 1u72 n GLU 62 Ca 0.13 1.44 0.10 0.00 0.66 0.00 0.00 57.16 59.49 1u72 n GLU 62 Cb 0.30 -2.15 0.72 0.00 0.27 0.00 0.00 31.44 30.59 1u72 n GLU 62 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1u72 h LYS 63 N 0.00 0.00 -0.71 5.31 5.09 -2.01 -2.32 116.57 121.93 1u72 h LYS 63 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.18 1u72 h LYS 63 Cb 0.67 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.00 1u72 h LYS 63 CO -0.95 0.02 0.00 0.09 -2.09 0.00 0.00 179.45 176.52 1u72 n ASN 64 N -4.26 3.90 -4.47 7.07 3.02 0.16 -4.94 115.26 115.74 1u72 n ASN 64 Ca -0.03 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.17 1u72 n ASN 64 Cb 0.11 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.68 1u72 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u72 s ARG 65 N -1.05 3.65 0.58 3.52 0.52 -0.87 -2.82 118.95 122.47 1u72 s ARG 65 Ca 0.48 -0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 55.03 1u72 s ARG 65 Cb 0.25 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 1u72 s ARG 65 CO 0.33 0.07 1.04 -1.25 0.02 0.00 0.00 175.30 175.51 1u72 s PRO 66 N 0.85 3.48 0.20 3.54 0.04 -1.25 -4.91 135.00 136.94 1u72 s PRO 66 Ca 0.01 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 61.82 1u72 s PRO 66 Cb -0.14 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1u72 s PRO 66 CO 0.02 -0.67 1.46 1.28 0.04 0.00 0.00 177.00 179.13 1u72 n LEU 67 N -2.01 2.98 -4.80 -3.56 4.77 -1.13 -4.91 117.00 108.35 1u72 n LEU 67 Ca 0.08 1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 56.81 1u72 n LEU 67 Cb 0.53 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1u72 n LEU 67 CO 0.48 -0.46 0.48 -1.59 -1.33 0.00 0.00 177.39 174.97 1u72 s LYS 68 N 0.15 4.36 0.00 3.23 -2.85 -1.26 -3.90 119.74 119.48 1u72 s LYS 68 Ca 0.73 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 1u72 s LYS 68 Cb -0.68 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.18 1u72 s LYS 68 CO 0.45 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.70 1u72 n GLY 69 N 0.80 0.87 3.43 0.59 0.00 -1.26 -4.94 105.19 104.67 1u72 n GLY 69 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1u72 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u72 s ARG 70 N -0.19 2.10 -0.30 1.61 0.52 -1.25 -4.48 118.95 116.96 1u72 s ARG 70 Ca 0.00 -0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 54.01 1u72 s ARG 70 Cb 0.00 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1u72 s ARG 70 CO 0.00 0.55 0.83 0.42 0.02 0.00 0.00 175.30 177.12 1u72 s ILE 71 N -0.86 4.76 -0.24 1.52 1.01 -0.03 -4.83 121.20 122.54 1u72 s ILE 71 Ca 0.13 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.88 1u72 s ILE 71 Cb -0.10 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1u72 s ILE 71 CO 0.04 -0.26 0.56 0.20 0.00 0.00 0.00 174.94 175.47 1u72 s ASN 72 N 1.59 6.53 -0.10 3.58 0.02 -1.26 -1.04 114.94 124.26 1u72 s ASN 72 Ca 0.34 0.64 0.04 0.00 -1.02 0.00 0.00 52.86 52.86 1u72 s ASN 72 Cb -0.14 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.83 1u72 s ASN 72 CO 0.12 -0.28 -0.22 -0.22 0.02 0.00 0.00 177.10 176.52 1u72 s LEU 73 N 2.13 2.04 0.15 0.60 0.20 0.64 -2.01 118.68 122.43 1u72 s LEU 73 Ca 0.24 -0.53 -0.00 0.00 0.69 0.00 0.00 54.13 54.52 1u72 s LEU 73 Cb -0.16 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.22 1u72 s LEU 73 CO 0.09 0.14 0.32 -0.69 -0.29 0.00 0.00 176.35 175.93 1u72 s VAL 74 N 0.41 5.27 -0.09 1.68 1.01 -0.83 -1.94 120.40 125.92 1u72 s VAL 74 Ca -0.18 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1u72 s VAL 74 Cb -0.18 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1u72 s VAL 74 CO 0.08 -0.05 -0.19 -0.76 0.00 0.00 0.00 175.10 174.18 1u72 s LEU 75 N -3.02 2.42 -0.30 3.92 1.43 -0.82 -1.73 118.68 120.58 1u72 s LEU 75 Ca 0.37 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 1u72 s LEU 75 Cb -0.12 -1.49 0.20 0.00 0.03 0.00 0.00 46.19 44.81 1u72 s LEU 75 CO 0.28 0.23 1.46 -0.55 0.23 0.00 0.00 176.35 177.99 1u72 s SER 76 N -0.03 -0.01 -0.00 2.29 0.15 -0.76 -2.41 113.70 112.93 1u72 s SER 76 Ca -0.05 0.02 0.22 0.00 0.70 0.00 0.00 55.95 56.84 1u72 s SER 76 Cb -0.14 0.02 -0.28 0.00 -1.71 0.00 0.00 66.02 63.91 1u72 s SER 76 CO 0.05 -0.01 0.61 0.54 1.20 0.00 0.00 173.24 175.63 1u72 n ARG 77 N 1.24 0.55 -0.06 5.44 1.74 -1.26 -4.13 116.66 120.17 1u72 n ARG 77 Ca -0.07 -0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 56.81 1u72 n ARG 77 Cb 0.58 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 1u72 n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u72 h GLU 78 N 0.00 0.00 -7.02 5.56 5.08 -1.97 -3.48 114.58 112.74 1u72 h GLU 78 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1u72 h GLU 78 Cb 0.92 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.30 1u72 h GLU 78 CO 0.00 0.46 0.62 1.28 -1.00 0.00 0.00 179.01 180.37 1u72 n LEU 79 N -4.70 5.44 -0.03 1.33 4.77 -1.26 -4.96 117.00 117.58 1u72 n LEU 79 Ca -0.05 1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.79 1u72 n LEU 79 Cb 0.22 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 39.59 1u72 n LEU 79 CO 0.15 -0.49 -0.83 0.29 -1.33 0.00 0.00 177.39 175.19 1u72 n LYS 80 N -0.82 0.70 -4.21 3.23 4.76 -1.26 -4.96 118.16 115.60 1u72 n LYS 80 Ca 0.09 0.23 -0.15 0.00 -2.87 0.00 0.00 58.31 55.61 1u72 n LYS 80 Cb 0.44 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.83 1u72 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1u72 s GLU 81 N -2.56 0.93 0.34 1.97 -1.05 -1.26 -5.09 118.70 111.99 1u72 s GLU 81 Ca -0.17 -1.25 -0.28 0.00 -0.15 0.00 0.00 54.97 53.11 1u72 s GLU 81 Cb 0.07 -0.61 -0.12 0.00 -0.44 0.00 0.00 34.13 33.03 1u72 s GLU 81 CO 0.77 0.09 1.29 -2.30 0.95 0.00 0.00 175.26 176.06 1u72 n PRO 82 N 0.34 2.11 -1.37 -4.83 -0.02 -1.26 -4.93 135.00 125.04 1u72 n PRO 82 Ca -0.14 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 1u72 n PRO 82 Cb 0.58 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1u72 n PRO 82 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1u72 n PRO 83 N 0.53 0.56 -1.63 0.52 -0.04 -1.26 -4.79 135.00 128.89 1u72 n PRO 83 Ca 0.05 0.25 -0.49 0.00 -0.04 0.00 0.00 63.50 63.27 1u72 n PRO 83 Cb 0.36 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 1u72 n PRO 83 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1u72 n GLN 84 N -2.30 1.69 0.00 0.54 7.27 -1.26 -1.55 117.38 121.77 1u72 n GLN 84 Ca 0.14 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.82 1u72 n GLN 84 Cb 0.49 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.82 1u72 n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u72 n GLY 85 N 3.01 3.28 3.83 1.69 0.00 -1.26 -4.90 105.19 110.82 1u72 n GLY 85 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1u72 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u72 s ALA 86 N -2.99 2.71 -0.15 4.61 0.00 -0.60 -3.92 121.76 121.43 1u72 s ALA 86 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.10 1u72 s ALA 86 Cb 0.00 -3.16 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 1u72 s ALA 86 CO 0.00 -1.19 0.00 0.72 0.00 0.00 0.00 175.76 175.29 1u72 n HIS 87 N -3.10 0.00 -3.97 0.00 -0.00 -0.85 -4.87 115.22 102.42 1u72 n HIS 87 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.71 1u72 n HIS 87 Cb 0.54 -0.68 -0.09 0.00 -0.00 0.00 0.00 29.99 29.76 1u72 n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1u72 s PHE 88 N -2.34 0.31 -0.01 4.41 0.08 -1.15 -5.02 117.98 114.27 1u72 s PHE 88 Ca -0.11 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.20 1u72 s PHE 88 Cb 0.05 -0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.28 1u72 s PHE 88 CO 0.53 -0.43 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.00 1u72 s LEU 89 N -2.68 1.87 0.05 -0.37 2.96 -1.26 -1.96 118.68 117.30 1u72 s LEU 89 Ca 0.03 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1u72 s LEU 89 Cb 0.04 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1u72 s LEU 89 CO -0.09 0.04 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.49 1u72 s SER 90 N 0.07 0.68 0.00 3.68 0.01 -0.71 -4.97 113.70 112.46 1u72 s SER 90 Ca -0.00 -0.78 0.24 0.00 1.31 0.00 0.00 55.95 56.72 1u72 s SER 90 Cb -0.04 0.11 0.36 0.00 0.21 0.00 0.00 66.02 66.66 1u72 s SER 90 CO -0.00 -0.40 1.32 -2.11 0.41 0.00 0.00 173.24 172.46 1u72 n ARG 91 N 0.73 1.21 -3.51 12.44 -4.01 -1.26 -1.83 116.66 120.44 1u72 n ARG 91 Ca -0.18 -0.90 -0.11 0.00 -1.04 0.00 0.00 57.85 55.62 1u72 n ARG 91 Cb 0.58 -1.48 -0.03 0.00 -3.04 0.00 0.00 32.46 28.49 1u72 n ARG 91 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1u72 s SER 92 N -2.41 -0.44 0.35 2.89 1.04 -1.26 -4.74 113.70 109.12 1u72 s SER 92 Ca 0.23 -0.13 0.16 0.00 0.48 0.00 0.00 55.95 56.69 1u72 s SER 92 Cb 0.19 0.56 0.58 0.00 0.10 0.00 0.00 66.02 67.45 1u72 s SER 92 CO 0.51 -0.93 1.70 0.25 0.98 0.00 0.00 173.24 175.75 1u72 h LEU 93 N 2.13 0.00 -0.25 2.42 5.85 -1.99 -2.31 115.31 121.17 1u72 h LEU 93 Ca -0.34 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.17 1u72 h LEU 93 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1u72 h LEU 93 CO 0.41 0.44 -0.86 0.44 -0.34 0.00 0.00 178.44 178.53 1u72 h ASP 94 N 0.00 0.55 -0.52 1.25 3.45 -1.99 -2.90 116.42 116.26 1u72 h ASP 94 Ca -0.00 -0.41 -0.12 0.00 0.43 0.00 0.00 57.03 56.93 1u72 h ASP 94 Cb 0.95 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.54 1u72 h ASP 94 CO 0.06 1.19 -0.14 0.44 -1.57 0.00 0.00 179.24 179.21 1u72 h ASP 95 N 0.27 1.03 -0.78 6.45 3.32 -1.94 -2.43 116.42 122.34 1u72 h ASP 95 Ca -0.06 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1u72 h ASP 95 Cb 1.47 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1u72 h ASP 95 CO 0.15 1.16 0.41 0.00 -1.72 0.00 0.00 179.24 179.23 1u72 h ALA 96 N 0.93 1.00 -0.16 3.45 0.00 -1.36 -2.57 119.26 120.56 1u72 h ALA 96 Ca 0.13 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1u72 h ALA 96 Cb 0.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1u72 h ALA 96 CO 0.05 0.54 -0.56 -0.07 0.00 0.00 0.00 179.25 179.21 1u72 h LEU 97 N 1.09 0.54 -0.73 0.00 3.38 -1.52 -3.18 115.31 114.89 1u72 h LEU 97 Ca 0.27 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1u72 h LEU 97 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1u72 h LEU 97 CO -0.04 0.99 0.29 0.11 0.09 0.00 0.00 178.44 179.88 1u72 h LYS 98 N 0.37 1.09 -0.23 1.13 1.57 -1.09 -2.64 116.57 116.77 1u72 h LYS 98 Ca 0.00 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1u72 h LYS 98 Cb 1.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1u72 h LYS 98 CO 0.10 0.90 0.32 1.25 -0.57 0.00 0.00 179.45 181.45 1u72 h LEU 99 N 1.05 0.00 -0.83 2.94 6.46 -1.45 0.67 115.31 124.15 1u72 h LEU 99 Ca 0.24 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1u72 h LEU 99 Cb 0.22 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1u72 h LEU 99 CO -0.02 0.00 -0.52 0.74 -0.62 0.00 0.00 178.44 178.02 1u72 h THR 100 N 0.00 1.23 0.00 1.05 2.02 -1.55 -2.08 112.91 113.58 1u72 h THR 100 Ca 0.11 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1u72 h THR 100 Cb 0.75 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1u72 h THR 100 CO -0.00 0.51 -0.36 -0.62 0.37 0.00 0.00 175.52 175.42 1u72 n GLU 101 N -3.71 0.12 -2.62 6.66 -0.58 0.23 -3.30 120.64 117.44 1u72 n GLU 101 Ca -0.01 0.05 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 1u72 n GLU 101 Cb 0.57 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1u72 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1u72 s GLN 102 N -3.06 4.37 0.54 3.49 -1.52 -0.78 -4.77 119.66 117.92 1u72 s GLN 102 Ca 0.10 1.48 0.28 0.00 -1.95 0.00 0.00 55.36 55.27 1u72 s GLN 102 Cb 0.16 -2.71 1.55 0.00 -0.22 0.00 0.00 33.01 31.79 1u72 s GLN 102 CO 0.65 0.05 2.12 -1.00 -0.25 0.00 0.00 175.29 176.86 1u72 h PRO 103 N 2.89 0.00 -0.00 2.91 0.13 -1.88 1.97 132.00 138.01 1u72 h PRO 103 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1u72 h PRO 103 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1u72 h PRO 103 CO 0.64 0.09 -0.45 1.05 -0.23 0.00 0.00 178.00 179.09 1u72 h GLU 104 N 0.00 -0.55 0.00 0.86 4.11 -1.90 -3.16 114.58 113.94 1u72 h GLU 104 Ca -0.00 0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.38 1u72 h GLU 104 Cb 0.24 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1u72 h GLU 104 CO 0.01 -0.37 -1.06 -0.07 0.07 0.00 0.00 179.01 177.59 1u72 h LEU 105 N -0.57 0.00 -1.15 3.06 3.38 -1.67 -3.40 115.31 114.96 1u72 h LEU 105 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u72 h LEU 105 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1u72 h LEU 105 CO -0.30 0.30 0.39 0.00 0.09 0.00 0.00 178.44 178.92 1u72 h ALA 106 N 1.70 1.33 0.00 1.53 0.00 0.32 -1.64 119.26 122.49 1u72 h ALA 106 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u72 h ALA 106 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1u72 h ALA 106 CO 0.03 -0.33 0.00 0.27 0.00 0.00 0.00 179.25 179.22 1u72 n ASN 107 N -2.37 0.74 -0.07 0.00 0.23 -1.26 -4.39 115.26 108.14 1u72 n ASN 107 Ca -0.01 -0.87 -0.08 0.00 -0.53 0.00 0.00 54.58 53.09 1u72 n ASN 107 Cb 0.42 0.25 -0.15 0.00 -2.08 0.00 0.00 39.78 38.22 1u72 n ASN 107 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1u72 n LYS 108 N -0.25 0.67 -3.80 -3.83 5.02 -0.63 -4.75 118.16 110.59 1u72 n LYS 108 Ca 0.00 0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 56.00 1u72 n LYS 108 Cb 0.00 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.33 1u72 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u72 s VAL 109 N -2.59 5.27 0.00 -0.18 1.01 -1.14 0.26 120.40 123.03 1u72 s VAL 109 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1u72 s VAL 109 Cb 0.07 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1u72 s VAL 109 CO 0.83 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 175.72 1u72 n ASP 110 N 3.45 0.00 -4.95 3.32 4.64 0.96 -3.81 116.55 120.16 1u72 n ASP 110 Ca -0.16 0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.01 1u72 n ASP 110 Cb 0.52 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.58 1u72 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1u72 s MET 111 N 0.00 3.44 -0.10 -0.67 -1.94 -1.26 0.13 119.30 118.91 1u72 s MET 111 Ca 0.00 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 1u72 s MET 111 Cb 0.00 -2.94 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 1u72 s MET 111 CO 0.00 0.48 -0.17 0.54 -0.01 0.00 0.00 175.02 175.86 1u72 s VAL 112 N -1.83 2.70 -0.18 -6.03 0.11 0.24 -2.02 120.40 113.39 1u72 s VAL 112 Ca 0.34 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1u72 s VAL 112 Cb -0.10 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1u72 s VAL 112 CO 0.29 0.55 -0.13 0.26 -3.33 0.00 0.00 175.10 172.74 1u72 s TRP 113 N 0.06 2.83 -0.32 1.54 0.52 0.19 -1.33 118.94 122.42 1u72 s TRP 113 Ca -0.07 -1.11 -0.17 0.00 0.02 0.00 0.00 56.10 54.77 1u72 s TRP 113 Cb -0.15 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.20 1u72 s TRP 113 CO 0.05 -0.55 0.46 0.42 0.02 0.00 0.00 176.95 177.36 1u72 s ILE 114 N 1.07 5.08 -0.97 2.03 1.01 -0.36 -0.33 121.20 128.72 1u72 s ILE 114 Ca -0.00 0.43 0.10 0.00 0.00 0.00 0.00 60.65 61.17 1u72 s ILE 114 Cb -0.15 -3.87 0.19 0.00 0.01 0.00 0.00 42.46 38.65 1u72 s ILE 114 CO -0.03 -0.08 1.06 1.33 0.00 0.00 0.00 174.94 177.22 1u72 n VAL 115 N 5.30 0.61 0.00 2.92 0.24 0.38 -2.11 118.33 125.67 1u72 n VAL 115 Ca -0.06 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1u72 n VAL 115 Cb 0.49 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1u72 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u72 n GLY 116 N 0.45 -2.36 0.00 7.63 0.00 -1.25 -4.89 105.19 104.78 1u72 n GLY 116 Ca 0.08 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1u72 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u72 n GLY 117 N -0.33 0.59 0.37 -0.02 0.00 -1.26 -1.41 105.19 103.13 1u72 n GLY 117 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 1u72 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u72 h SER 118 N 0.00 -1.32 -0.85 1.61 0.02 -1.96 0.25 113.55 111.30 1u72 h SER 118 Ca 0.00 0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1u72 h SER 118 Cb 0.00 0.64 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1u72 h SER 118 CO 0.00 -0.31 0.41 0.77 -1.14 0.00 0.00 176.83 176.56 1u72 h SER 119 N -0.15 1.11 0.23 3.07 4.64 -1.98 0.10 113.55 120.58 1u72 h SER 119 Ca 0.24 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1u72 h SER 119 Cb 0.56 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1u72 h SER 119 CO -0.74 0.94 -0.68 0.58 -0.87 0.00 0.00 176.83 176.06 1u72 h VAL 120 N 1.21 1.37 -0.10 0.95 2.07 -1.78 -2.98 116.25 116.99 1u72 h VAL 120 Ca 0.29 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1u72 h VAL 120 Cb 0.12 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1u72 h VAL 120 CO -0.04 0.62 -0.21 1.88 0.02 0.00 0.00 177.57 179.85 1u72 h TYR 121 N 0.29 0.40 -0.88 1.57 0.99 0.41 -3.10 116.97 116.64 1u72 h TYR 121 Ca -0.02 -0.15 0.17 0.00 2.00 0.00 0.00 58.73 60.73 1u72 h TYR 121 Cb 1.23 -0.07 -0.10 0.00 1.00 0.00 0.00 36.73 38.79 1u72 h TYR 121 CO 0.04 0.82 0.46 -0.22 -0.00 0.00 0.00 178.16 179.25 1u72 h LYS 122 N -0.14 0.59 0.14 4.88 3.64 -0.87 0.99 116.57 125.81 1u72 h LYS 122 Ca 0.00 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1u72 h LYS 122 Cb 0.80 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1u72 h LYS 122 CO 0.05 0.39 -0.90 1.49 -2.27 0.00 0.00 179.45 178.20 1u72 h GLU 123 N 0.61 0.37 -0.41 1.90 4.57 -1.61 -3.18 114.58 116.83 1u72 h GLU 123 Ca 0.50 -0.58 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1u72 h GLU 123 Cb 0.77 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1u72 h GLU 123 CO -0.39 1.26 0.23 0.00 -1.18 0.00 0.00 179.01 178.93 1u72 h ALA 124 N 0.13 0.53 -0.54 2.92 0.00 -1.40 -1.83 119.26 119.08 1u72 h ALA 124 Ca -0.15 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1u72 h ALA 124 Cb 1.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1u72 h ALA 124 CO 0.17 0.05 0.45 1.98 0.00 0.00 0.00 179.25 181.90 1u72 h MET 125 N 0.54 0.00 -0.04 0.00 -1.53 -0.92 0.60 114.93 113.57 1u72 h MET 125 Ca 0.15 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.41 1u72 h MET 125 Cb 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1u72 h MET 125 CO -0.02 0.00 0.00 0.09 0.14 0.00 0.00 176.91 177.12 1u72 n ASN 126 N -4.08 2.22 -4.72 1.39 3.02 -0.90 -5.00 115.26 107.18 1u72 n ASN 126 Ca 0.10 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.62 1u72 n ASN 126 Cb 0.67 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 1u72 n ASN 126 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1u72 n HIS 127 N 0.78 2.72 -1.64 3.10 -0.00 0.20 -4.93 115.22 115.46 1u72 n HIS 127 Ca 0.08 0.16 -0.40 0.00 0.46 0.00 0.00 57.72 58.02 1u72 n HIS 127 Cb 0.36 -2.62 0.02 0.00 -0.12 0.00 0.00 29.99 27.62 1u72 n HIS 127 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1u72 n PRO 128 N 3.13 1.45 0.00 1.57 -0.04 -1.26 -4.80 135.00 135.05 1u72 n PRO 128 Ca 0.13 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1u72 n PRO 128 Cb 0.35 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1u72 n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u72 n GLY 129 N 1.08 -0.21 3.74 0.55 0.00 -1.26 -5.01 105.19 104.07 1u72 n GLY 129 Ca 0.09 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1u72 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1u72 s HIS 130 N -0.62 3.60 0.10 1.61 5.65 -1.26 -3.26 115.29 121.10 1u72 s HIS 130 Ca 0.00 1.14 -0.17 0.00 0.25 0.00 0.00 55.06 56.28 1u72 s HIS 130 Cb 0.00 -2.67 0.04 0.00 -1.18 0.00 0.00 32.58 28.77 1u72 s HIS 130 CO 0.00 0.21 0.42 -1.17 -0.65 0.00 0.00 174.74 173.55 1u72 s LEU 131 N 0.38 0.32 0.01 8.88 2.96 -0.55 -4.67 118.68 126.01 1u72 s LEU 131 Ca 0.32 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1u72 s LEU 131 Cb -0.17 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.37 1u72 s LEU 131 CO 0.16 -0.79 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.80 1u72 s LYS 132 N -3.32 0.40 -0.20 1.98 1.02 -1.24 0.16 119.74 118.55 1u72 s LYS 132 Ca -0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.72 1u72 s LYS 132 Cb 0.01 -0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.00 1u72 s LYS 132 CO -0.09 0.09 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.76 1u72 s LEU 133 N -0.40 2.52 -0.46 3.17 1.02 -0.74 -1.54 118.68 122.25 1u72 s LEU 133 Ca -0.01 -0.83 -0.16 0.00 0.02 0.00 0.00 54.13 53.15 1u72 s LEU 133 Cb -0.03 -1.51 0.06 0.00 0.02 0.00 0.00 46.19 44.72 1u72 s LEU 133 CO -0.00 -0.05 0.42 -0.36 0.02 0.00 0.00 176.35 176.38 1u72 s PHE 134 N 1.25 3.20 -0.19 0.29 0.40 -0.94 -0.22 117.98 121.78 1u72 s PHE 134 Ca 0.01 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.55 1u72 s PHE 134 Cb -0.15 -3.11 -0.02 0.00 0.51 0.00 0.00 43.02 40.24 1u72 s PHE 134 CO -0.10 -0.80 -0.02 0.08 0.70 0.00 0.00 175.22 175.08 1u72 s VAL 135 N 1.87 3.85 -0.21 -0.44 1.01 0.12 -2.57 120.40 124.02 1u72 s VAL 135 Ca 0.07 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1u72 s VAL 135 Cb -0.22 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1u72 s VAL 135 CO 0.09 0.45 0.51 -0.89 0.00 0.00 0.00 175.10 175.25 1u72 s THR 136 N 0.82 5.11 -0.50 3.92 2.01 0.36 -1.26 115.64 126.10 1u72 s THR 136 Ca -0.00 0.91 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 1u72 s THR 136 Cb -0.14 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.61 1u72 s THR 136 CO 0.02 0.16 0.54 -0.13 -0.69 0.00 0.00 174.62 174.52 1u72 s ARG 137 N 1.75 3.06 -0.18 4.92 1.81 0.38 -2.37 118.95 128.31 1u72 s ARG 137 Ca 0.23 -1.13 -0.26 0.00 -1.72 0.00 0.00 55.73 52.86 1u72 s ARG 137 Cb -0.15 -4.13 -0.01 0.00 -0.45 0.00 0.00 34.95 30.21 1u72 s ARG 137 CO 0.09 -1.17 0.86 0.42 -0.68 0.00 0.00 175.30 174.82 1u72 s ILE 138 N 2.21 4.85 0.00 1.52 -1.09 0.33 -1.32 121.20 127.69 1u72 s ILE 138 Ca 0.10 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 1u72 s ILE 138 Cb -0.22 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1u72 s ILE 138 CO 0.09 -0.01 1.05 0.23 -1.23 0.00 0.00 174.94 175.07 1u72 n MET 139 N 5.46 0.97 -4.08 2.79 2.81 0.03 -1.42 117.12 123.68 1u72 n MET 139 Ca 0.06 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 1u72 n MET 139 Cb 0.48 -1.01 -0.03 0.00 -0.71 0.00 0.00 33.22 31.95 1u72 n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1u72 s GLN 140 N 0.03 1.99 -0.10 0.03 -2.07 -1.26 -4.82 119.66 113.45 1u72 s GLN 140 Ca 0.00 -1.79 -0.10 0.00 -1.82 0.00 0.00 55.36 51.65 1u72 s GLN 140 Cb 0.00 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1u72 s GLN 140 CO 0.00 -0.83 0.22 -0.51 -1.32 0.00 0.00 175.29 172.85 1u72 s ASP 141 N -3.25 6.49 -0.03 12.60 1.01 -1.26 -0.76 116.67 131.47 1u72 s ASP 141 Ca 0.30 0.58 0.01 0.00 0.71 0.00 0.00 52.55 54.15 1u72 s ASP 141 Cb -0.01 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.81 1u72 s ASP 141 CO 0.21 0.33 -0.03 -0.36 0.21 0.00 0.00 175.17 175.53 1u72 s PHE 142 N -0.75 0.52 0.13 4.23 0.08 -1.26 -5.02 117.98 115.92 1u72 s PHE 142 Ca 0.17 -0.10 -0.31 0.00 0.12 0.00 0.00 56.93 56.80 1u72 s PHE 142 Cb -0.13 -0.47 -0.10 0.00 -0.57 0.00 0.00 43.02 41.75 1u72 s PHE 142 CO 0.06 -0.12 1.70 -2.00 -0.10 0.00 0.00 175.22 174.76 1u72 s GLU 143 N 0.65 4.17 0.32 0.44 2.12 -1.26 -4.88 118.70 120.26 1u72 s GLU 143 Ca -0.08 2.47 0.03 0.00 0.36 0.00 0.00 54.97 57.76 1u72 s GLU 143 Cb -0.11 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1u72 s GLU 143 CO -0.00 -0.74 0.16 -1.12 -0.54 0.00 0.00 175.26 173.01 1u72 s SER 144 N 2.01 1.74 0.00 -1.70 0.01 -1.26 -4.74 113.70 109.76 1u72 s SER 144 Ca 0.75 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1u72 s SER 144 Cb -0.44 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1u72 s SER 144 CO 0.33 -0.89 0.01 -0.90 0.41 0.00 0.00 173.24 172.21 1u72 n ASP 145 N -0.99 0.02 -3.85 2.44 5.75 0.11 -4.96 116.55 115.07 1u72 n ASP 145 Ca 0.00 -0.26 -0.14 0.00 -0.01 0.00 0.00 54.79 54.38 1u72 n ASP 145 Cb 0.65 0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 41.01 1u72 n ASP 145 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u72 s THR 146 N -0.42 0.06 0.26 2.12 -4.23 -1.19 -4.99 115.64 107.25 1u72 s THR 146 Ca 0.00 0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1u72 s THR 146 Cb 0.00 -0.10 -0.05 0.00 1.34 0.00 0.00 72.50 73.69 1u72 s THR 146 CO 0.00 0.05 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.61 1u72 s PHE 147 N 0.34 2.08 -0.06 3.99 0.40 -1.26 -1.34 117.98 122.12 1u72 s PHE 147 Ca -0.03 -0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 55.64 1u72 s PHE 147 Cb -0.05 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1u72 s PHE 147 CO -0.01 0.55 0.59 0.12 0.70 0.00 0.00 175.22 177.17 1u72 s PHE 148 N -2.71 3.59 0.97 0.36 5.36 -1.20 -4.54 117.98 119.81 1u72 s PHE 148 Ca 0.28 1.11 -0.11 0.00 -0.96 0.00 0.00 56.93 57.25 1u72 s PHE 148 Cb -0.02 -2.65 0.18 0.00 -0.34 0.00 0.00 43.02 40.18 1u72 s PHE 148 CO 0.12 0.20 1.10 -2.14 -1.46 0.00 0.00 175.22 173.05 1u72 s PRO 149 N 0.41 0.60 0.52 10.12 0.02 -1.26 -4.96 135.00 140.44 1u72 s PRO 149 Ca 0.31 1.26 -0.18 0.00 0.02 0.00 0.00 61.00 62.41 1u72 s PRO 149 Cb -0.17 -1.70 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1u72 s PRO 149 CO 0.15 -2.82 1.03 -1.83 -0.33 0.00 0.00 177.00 173.20 1u72 s GLU 150 N -4.64 3.69 -0.15 5.54 -1.05 -1.26 -4.99 118.70 115.82 1u72 s GLU 150 Ca 0.66 1.24 -0.18 0.00 -0.15 0.00 0.00 54.97 56.54 1u72 s GLU 150 Cb -0.22 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 1u72 s GLU 150 CO 0.60 -0.51 0.50 0.42 0.95 0.00 0.00 175.26 177.21 1u72 s ILE 151 N -2.23 5.15 -0.56 1.83 1.01 -1.26 -4.99 121.20 120.14 1u72 s ILE 151 Ca 0.65 0.96 -0.23 0.00 0.00 0.00 0.00 60.65 62.03 1u72 s ILE 151 Cb -0.15 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.54 1u72 s ILE 151 CO 0.27 0.26 0.89 -0.62 0.00 0.00 0.00 174.94 175.74 1u72 s ASP 152 N 0.87 6.29 0.21 3.58 3.68 -1.26 -4.85 116.67 125.19 1u72 s ASP 152 Ca 0.25 -0.56 0.23 0.00 2.13 0.00 0.00 52.55 54.60 1u72 s ASP 152 Cb -0.15 -2.41 0.92 0.00 -1.45 0.00 0.00 42.92 39.83 1u72 s ASP 152 CO 0.10 -1.21 1.70 0.18 0.13 0.00 0.00 175.17 176.07 1u72 n LEU 153 N 7.29 0.59 0.13 -1.34 4.77 -1.26 -0.29 117.00 126.90 1u72 n LEU 153 Ca -0.01 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1u72 n LEU 153 Cb 0.47 -0.53 0.24 0.00 -2.33 0.00 0.00 43.42 41.27 1u72 n LEU 153 CO 0.62 -0.45 0.66 -0.33 -1.33 0.00 0.00 177.39 176.56 1u72 h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.04 -3.35 114.58 116.81 1u72 h GLU 154 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 1u72 h GLU 154 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1u72 h GLU 154 CO 0.00 0.00 -1.74 1.63 -1.16 0.00 0.00 179.01 177.74 1u72 n LYS 155 N -2.55 0.31 -3.45 2.33 5.02 -0.96 -4.99 118.16 113.88 1u72 n LYS 155 Ca 0.04 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 1u72 n LYS 155 Cb 0.48 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1u72 n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1u72 s TYR 156 N -2.25 3.22 -0.04 2.13 1.51 0.60 -4.68 117.35 117.83 1u72 s TYR 156 Ca -0.18 -0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1u72 s TYR 156 Cb 0.05 -2.61 -0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1u72 s TYR 156 CO 0.28 -0.44 0.39 0.15 -1.11 0.00 0.00 175.55 174.83 1u72 s LYS 157 N 1.89 3.99 -0.12 -0.62 -0.14 -1.04 -4.30 119.74 119.39 1u72 s LYS 157 Ca 0.09 0.36 -0.26 0.00 -1.36 0.00 0.00 55.97 54.80 1u72 s LYS 157 Cb -0.17 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.69 1u72 s LYS 157 CO 0.11 0.57 0.85 -1.17 -0.76 0.00 0.00 175.35 174.95 1u72 s LEU 158 N -0.67 4.23 0.32 3.17 2.96 -1.26 -0.09 118.68 127.35 1u72 s LEU 158 Ca 0.23 1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 55.16 1u72 s LEU 158 Cb -0.16 -3.29 -0.10 0.00 0.50 0.00 0.00 46.19 43.15 1u72 s LEU 158 CO 0.11 -0.34 0.93 -0.76 -1.32 0.00 0.00 176.35 174.98 1u72 s LEU 159 N 1.76 4.32 0.49 -0.68 1.43 -0.79 -4.93 118.68 120.28 1u72 s LEU 159 Ca 0.41 1.81 0.32 0.00 -1.03 0.00 0.00 54.13 55.64 1u72 s LEU 159 Cb -0.17 -4.02 1.39 0.00 0.03 0.00 0.00 46.19 43.42 1u72 s LEU 159 CO 0.16 -0.08 1.95 -0.65 0.23 0.00 0.00 176.35 177.97 1u72 h PRO 160 N 3.12 0.00 -1.82 1.29 0.11 -1.97 -3.44 132.00 129.29 1u72 h PRO 160 Ca -0.47 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.91 1u72 h PRO 160 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1u72 h PRO 160 CO 0.65 0.00 0.69 -1.83 -0.21 0.00 0.00 178.00 177.30 1u72 s GLU 161 N -3.64 0.73 -0.29 1.05 -1.05 -1.26 -5.08 118.70 109.17 1u72 s GLU 161 Ca 0.01 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.27 1u72 s GLU 161 Cb 0.09 0.25 0.12 0.00 -0.44 0.00 0.00 34.13 34.15 1u72 s GLU 161 CO 0.48 -0.33 0.84 -0.47 0.95 0.00 0.00 175.26 176.73 1u72 s TYR 162 N -2.77 -0.83 -0.07 4.83 5.04 -1.26 -5.04 117.35 117.24 1u72 s TYR 162 Ca 0.14 1.61 -0.34 0.00 -2.44 0.00 0.00 57.07 56.03 1u72 s TYR 162 Cb 0.02 0.50 -0.12 0.00 0.35 0.00 0.00 41.96 42.71 1u72 s TYR 162 CO -0.01 -0.41 1.85 -0.35 -1.34 0.00 0.00 175.55 175.28 1u72 n PRO 163 N 4.18 2.14 -0.52 4.97 -0.04 -1.26 -2.64 135.00 141.84 1u72 n PRO 163 Ca -0.18 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1u72 n PRO 163 Cb 0.57 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1u72 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u72 n GLY 164 N 4.30 0.71 2.92 0.55 0.00 -1.26 -5.07 105.19 107.34 1u72 n GLY 164 Ca 0.22 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1u72 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u72 s VAL 165 N -2.00 1.30 0.20 1.61 1.01 -1.08 -5.10 120.40 116.35 1u72 s VAL 165 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 60.79 1u72 s VAL 165 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 36.38 34.75 1u72 s VAL 165 CO 0.00 0.06 1.57 0.18 0.00 0.00 0.00 175.10 176.91 1u72 n LEU 166 N 4.79 3.43 -0.52 3.92 4.32 -1.26 -4.68 117.00 127.00 1u72 n LEU 166 Ca -0.12 1.10 0.11 0.00 -0.02 0.00 0.00 56.01 57.08 1u72 n LEU 166 Cb 0.46 -1.48 0.07 0.00 -1.62 0.00 0.00 43.42 40.86 1u72 n LEU 166 CO 0.17 -0.18 0.40 -1.20 -1.22 0.00 0.00 177.39 175.37 1u72 n SER 167 N 3.10 1.99 -4.68 -1.43 7.64 -1.26 -4.43 113.62 114.54 1u72 n SER 167 Ca 0.15 -1.49 -0.28 0.00 1.01 0.00 0.00 58.87 58.26 1u72 n SER 167 Cb 0.31 0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 63.80 1u72 n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1u72 s ASP 168 N -2.42 4.92 0.07 6.43 1.47 -1.26 -4.94 116.67 120.93 1u72 s ASP 168 Ca 0.21 -0.30 -0.35 0.00 1.18 0.00 0.00 52.55 53.29 1u72 s ASP 168 Cb 0.19 -1.11 -0.14 0.00 -0.34 0.00 0.00 42.92 41.51 1u72 s ASP 168 CO 0.53 0.12 1.58 0.52 0.68 0.00 0.00 175.17 178.60 1u72 n VAL 169 N 0.10 0.12 -3.86 2.11 0.31 -1.26 -4.82 118.33 111.04 1u72 n VAL 169 Ca -0.10 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.00 1u72 n VAL 169 Cb 0.54 -1.39 -0.02 0.00 -0.91 0.00 0.00 33.84 32.06 1u72 n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1u72 s GLN 170 N 1.55 3.25 -0.21 5.55 -1.52 0.28 -4.93 119.66 123.64 1u72 s GLN 170 Ca 0.84 -0.89 -0.09 0.00 -1.95 0.00 0.00 55.36 53.27 1u72 s GLN 170 Cb -0.78 -2.81 0.08 0.00 -0.22 0.00 0.00 33.01 29.29 1u72 s GLN 170 CO 0.45 0.32 0.46 -2.00 -0.25 0.00 0.00 175.29 174.27 1u72 s GLU 171 N -4.01 0.40 -0.05 2.91 2.12 -1.26 -0.65 118.70 118.16 1u72 s GLU 171 Ca 0.37 1.02 -0.04 0.00 0.36 0.00 0.00 54.97 56.68 1u72 s GLU 171 Cb -0.09 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1u72 s GLU 171 CO 0.29 -0.21 0.13 -2.00 -0.54 0.00 0.00 175.26 172.93 1u72 s GLU 172 N 2.19 0.12 -1.96 4.30 2.12 0.26 -4.77 118.70 120.95 1u72 s GLU 172 Ca -0.05 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1u72 s GLU 172 Cb -0.10 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1u72 s GLU 172 CO -0.14 -0.08 0.00 1.63 -0.54 0.00 0.00 175.26 176.13 1u72 n LYS 173 N 3.50 -1.41 -0.92 4.30 5.02 -1.26 -0.69 118.16 126.69 1u72 n LYS 173 Ca -0.18 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1u72 n LYS 173 Cb 0.56 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1u72 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u72 n GLY 174 N -0.70 0.50 3.20 0.72 0.00 -1.26 -5.02 105.19 102.63 1u72 n GLY 174 Ca -0.21 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1u72 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u72 s ILE 175 N -2.00 2.81 0.16 -0.61 1.01 0.13 -5.09 121.20 117.60 1u72 s ILE 175 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 1u72 s ILE 175 Cb 0.00 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 1u72 s ILE 175 CO 0.00 0.29 0.56 -0.54 0.00 0.00 0.00 174.94 175.25 1u72 s LYS 176 N 1.34 3.97 0.15 2.79 1.02 -1.26 0.89 119.74 128.65 1u72 s LYS 176 Ca 0.02 0.48 -0.23 0.00 0.02 0.00 0.00 55.97 56.26 1u72 s LYS 176 Cb -0.16 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1u72 s LYS 176 CO -0.06 0.45 0.65 1.52 -0.92 0.00 0.00 175.35 177.00 1u72 s TYR 177 N -1.51 -0.48 0.05 3.18 -0.85 0.18 -0.79 117.35 117.12 1u72 s TYR 177 Ca 0.39 0.25 0.01 0.00 -0.52 0.00 0.00 57.07 57.20 1u72 s TYR 177 Cb -0.15 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 1u72 s TYR 177 CO 0.19 -0.86 -0.06 -1.59 -1.52 0.00 0.00 175.55 171.72 1u72 s LYS 178 N -3.69 0.52 -0.17 -3.49 -2.85 -0.44 1.00 119.74 110.62 1u72 s LYS 178 Ca 0.03 -0.84 -0.09 0.00 -1.00 0.00 0.00 55.97 54.07 1u72 s LYS 178 Cb -0.02 -0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.57 1u72 s LYS 178 CO -0.10 0.00 0.14 -0.06 0.10 0.00 0.00 175.35 175.43 1u72 s PHE 179 N -1.93 3.49 0.05 1.78 0.40 -1.26 0.14 117.98 120.65 1u72 s PHE 179 Ca -0.07 0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 56.68 1u72 s PHE 179 Cb -0.06 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1u72 s PHE 179 CO -0.02 0.46 -0.04 -1.21 0.70 0.00 0.00 175.22 175.12 1u72 s GLU 180 N -0.18 0.62 -0.07 0.44 2.02 -0.39 -4.84 118.70 116.30 1u72 s GLU 180 Ca 0.11 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 1u72 s GLU 180 Cb -0.11 0.13 0.03 0.00 0.10 0.00 0.00 34.13 34.27 1u72 s GLU 180 CO 0.01 -0.09 0.01 0.08 0.02 0.00 0.00 175.26 175.28 1u72 s VAL 181 N -3.63 0.33 0.08 2.63 1.01 -1.26 -0.71 120.40 118.86 1u72 s VAL 181 Ca 0.06 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1u72 s VAL 181 Cb 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1u72 s VAL 181 CO -0.08 0.25 0.05 -0.31 0.00 0.00 0.00 175.10 175.00 1u72 s TYR 182 N 1.93 3.11 0.05 5.22 1.51 0.70 -1.88 117.35 127.99 1u72 s TYR 182 Ca 0.04 0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1u72 s TYR 182 Cb -0.12 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1u72 s TYR 182 CO -0.05 0.51 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.75 1u72 s GLU 183 N -2.36 0.92 0.11 -0.62 2.12 0.88 -1.78 118.70 117.96 1u72 s GLU 183 Ca 0.28 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1u72 s GLU 183 Cb -0.12 -0.94 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 1u72 s GLU 183 CO 0.21 0.23 -0.01 0.21 -0.54 0.00 0.00 175.26 175.36 1u72 s LYS 184 N -1.34 0.84 -0.30 4.30 2.20 0.12 -2.49 119.74 123.08 1u72 s LYS 184 Ca 0.01 -1.37 -0.17 0.00 -0.36 0.00 0.00 55.97 54.08 1u72 s LYS 184 Cb -0.09 0.04 0.18 0.00 -1.51 0.00 0.00 37.83 36.46 1u72 s LYS 184 CO 0.02 -0.14 1.21 1.21 -0.36 0.00 0.00 175.35 177.29 1u72 s ASN 185 N -3.03 -0.15 0.00 1.43 3.04 -1.26 -1.48 114.94 113.49 1u72 s ASN 185 Ca 0.16 0.12 0.00 0.00 0.04 0.00 0.00 52.86 53.18 1u72 s ASN 185 Cb 0.07 1.14 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 1u72 s ASN 185 CO -0.03 -0.03 0.00 -0.90 -3.04 0.00 0.00 177.10 173.10