#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yho n GLY 2 N 0.00 0.37 3.47 7.63 0.00 -1.23 -5.04 105.19 110.40 1yho n GLY 2 Ca 0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1yho n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yho s SER 3 N -3.00 5.37 -0.20 1.61 0.01 -1.24 -5.03 113.70 111.22 1yho s SER 3 Ca 0.00 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1yho s SER 3 Cb 0.00 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.29 1yho s SER 3 CO 0.00 -0.06 -0.17 -0.76 0.41 0.00 0.00 173.24 172.66 1yho s LEU 4 N 1.64 2.50 -0.11 2.44 1.02 -1.26 -0.49 118.68 124.43 1yho s LEU 4 Ca 0.06 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.40 1yho s LEU 4 Cb -0.16 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.56 1yho s LEU 4 CO 0.05 -0.05 -0.21 0.20 0.02 0.00 0.00 176.35 176.37 1yho s ASN 5 N 1.25 2.81 -0.19 2.29 0.01 -0.44 -2.19 114.94 118.48 1yho s ASN 5 Ca 0.01 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1yho s ASN 5 Cb -0.15 -1.29 0.03 0.00 0.41 0.00 0.00 41.25 40.25 1yho s ASN 5 CO -0.11 0.10 -0.18 0.00 -1.51 0.00 0.00 177.10 175.40 1yho s ILE 7 N 1.28 2.12 0.03 0.00 2.07 -0.82 0.97 121.20 126.86 1yho s ILE 7 Ca 0.03 -1.13 -0.01 0.00 -1.41 0.00 0.00 60.65 58.12 1yho s ILE 7 Cb -0.14 -2.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.43 1yho s ILE 7 CO -0.12 0.37 -0.01 0.68 -1.91 0.00 0.00 174.94 173.96 1yho s VAL 8 N 1.24 0.14 0.08 4.00 -7.23 0.50 -4.54 120.40 114.60 1yho s VAL 8 Ca 0.01 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1yho s VAL 8 Cb -0.15 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1yho s VAL 8 CO -0.10 -0.65 0.28 0.00 -0.31 0.00 0.00 175.10 174.31 1yho s ALA 9 N -2.31 3.91 -0.05 1.32 0.00 -1.26 -1.89 121.76 121.48 1yho s ALA 9 Ca -0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1yho s ALA 9 Cb -0.04 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1yho s ALA 9 CO -0.04 0.75 0.16 0.14 0.00 0.00 0.00 175.76 176.77 1yho s VAL 10 N -1.54 0.02 0.79 0.00 -7.23 0.19 -4.67 120.40 107.95 1yho s VAL 10 Ca 0.36 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 1yho s VAL 10 Cb -0.13 -0.29 0.06 0.00 0.56 0.00 0.00 36.38 36.59 1yho s VAL 10 CO 0.25 -0.10 1.14 -0.94 -0.31 0.00 0.00 175.10 175.14 1yho s SER 11 N -0.28 4.70 0.64 4.85 1.04 0.21 -1.15 113.70 123.70 1yho s SER 11 Ca -0.04 0.99 0.38 0.00 0.48 0.00 0.00 55.95 57.76 1yho s SER 11 Cb -0.03 -1.62 2.15 0.00 0.10 0.00 0.00 66.02 66.62 1yho s SER 11 CO 0.01 -1.80 2.30 -0.61 0.98 0.00 0.00 173.24 174.12 1yho h GLN 12 N -0.98 0.00 -0.79 4.02 4.15 -1.16 0.03 115.11 120.38 1yho h GLN 12 Ca -0.46 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.82 1yho h GLN 12 Cb 1.30 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.90 1yho h GLN 12 CO 0.64 0.00 0.18 -1.71 -1.93 0.00 0.00 178.83 176.01 1yho n ASN 13 N -3.39 4.34 -2.32 -0.69 5.15 -1.26 -4.87 115.26 112.20 1yho n ASN 13 Ca -0.03 -2.92 -0.20 0.00 -0.60 0.00 0.00 54.58 50.84 1yho n ASN 13 Cb 0.10 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 1yho n ASN 13 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1yho n MET 14 N 0.04 -2.18 -3.88 1.20 2.81 -0.00 -4.89 117.12 110.22 1yho n MET 14 Ca 0.31 0.91 -0.30 0.00 -1.81 0.00 0.00 57.70 56.81 1yho n MET 14 Cb 1.15 -5.52 -0.04 0.00 -0.71 0.00 0.00 33.22 28.10 1yho n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1yho s GLY 15 N -2.26 2.05 -0.08 3.03 0.00 -1.24 -0.40 107.32 108.42 1yho s GLY 15 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1yho s GLY 15 CO 0.07 -0.83 -0.07 0.29 0.00 0.00 0.00 173.10 172.56 1yho n ILE 16 N -0.01 0.47 0.00 0.90 -5.35 -1.14 0.63 119.36 114.86 1yho n ILE 16 Ca -0.05 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1yho n ILE 16 Cb 0.52 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 1yho n ILE 16 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yho n GLY 17 N 3.07 0.88 3.05 3.28 0.00 -1.26 -4.30 105.19 109.91 1yho n GLY 17 Ca -0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1yho n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yho s LYS 18 N -2.00 1.68 -1.52 1.61 2.20 0.15 -3.85 119.74 118.02 1yho s LYS 18 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1yho s LYS 18 Cb 0.00 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 1yho s LYS 18 CO 0.00 0.09 0.00 -1.71 -0.36 0.00 0.00 175.35 173.37 1yho n ASN 19 N 3.61 -5.07 -0.28 1.43 4.05 -1.26 -1.82 115.26 115.91 1yho n ASN 19 Ca -0.21 0.03 -0.03 0.00 0.45 0.00 0.00 54.58 54.82 1yho n ASN 19 Cb 0.52 -4.15 -0.01 0.00 1.23 0.00 0.00 39.78 37.37 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1yho n GLY 20 N -1.00 0.57 3.07 8.20 0.00 -1.26 -5.03 105.19 109.73 1yho n GLY 20 Ca -0.20 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1yho n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yho s ASP 21 N -2.94 0.83 0.46 1.61 -1.08 -0.76 -5.00 116.67 109.79 1yho s ASP 21 Ca 0.00 -0.62 -0.24 0.00 -0.52 0.00 0.00 52.55 51.18 1yho s ASP 21 Cb 0.00 0.05 -0.07 0.00 -1.46 0.00 0.00 42.92 41.44 1yho s ASP 21 CO 0.00 -0.26 1.25 -0.76 0.52 0.00 0.00 175.17 175.92 1yho s LEU 22 N -1.80 4.03 0.30 -1.34 1.43 -1.26 0.32 118.68 120.37 1yho s LEU 22 Ca -0.07 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.55 1yho s LEU 22 Cb -0.08 -4.15 0.55 0.00 0.03 0.00 0.00 46.19 42.54 1yho s LEU 22 CO -0.01 -1.05 1.90 -0.65 0.23 0.00 0.00 176.35 176.77 1yho h PRO 23 N 2.09 0.98 -6.01 1.29 0.11 -1.89 -3.42 132.00 125.15 1yho h PRO 23 Ca -0.50 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 64.94 1yho h PRO 23 Cb 1.26 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1yho h PRO 23 CO 0.60 0.65 -0.24 1.67 -0.21 0.00 0.00 178.00 180.47 1yho s TRP 24 N -5.90 3.68 0.94 0.65 -2.14 -1.26 -4.90 118.94 110.01 1yho s TRP 24 Ca -0.11 0.90 -0.14 0.00 2.66 0.00 0.00 56.10 59.40 1yho s TRP 24 Cb 0.20 -2.22 0.22 0.00 -3.10 0.00 0.00 33.47 28.57 1yho s TRP 24 CO 0.80 0.62 0.51 -2.30 -2.66 0.00 0.00 176.95 173.91 1yho n PRO 25 N 1.56 -2.83 -1.68 3.25 -0.02 -1.26 -4.80 135.00 129.22 1yho n PRO 25 Ca -0.13 -0.85 -0.50 0.00 -2.02 0.00 0.00 63.50 60.01 1yho n PRO 25 Cb 0.53 -1.27 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 1yho n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yho n PRO 26 N -3.31 1.92 -4.01 0.52 -0.02 -1.26 -4.96 135.00 123.87 1yho n PRO 26 Ca 0.08 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 1yho n PRO 26 Cb 0.35 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 1yho n PRO 26 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1yho s LEU 27 N 3.12 2.80 0.10 2.45 2.96 -1.26 -4.99 118.68 123.86 1yho s LEU 27 Ca 0.90 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1yho s LEU 27 Cb -0.77 -1.61 -0.16 0.00 0.50 0.00 0.00 46.19 44.14 1yho s LEU 27 CO 0.51 -0.07 1.28 -0.09 -1.32 0.00 0.00 176.35 176.66 1yho h ARG 28 N 7.99 0.73 -0.43 1.98 2.43 -1.97 -2.19 114.38 122.92 1yho h ARG 28 Ca -0.38 -0.66 -0.09 0.00 -0.81 0.00 0.00 59.98 58.04 1yho h ARG 28 Cb 1.12 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1yho h ARG 28 CO 0.59 1.26 -0.07 -0.91 -1.51 0.00 0.00 179.97 179.33 1yho h ASN 29 N 0.47 0.81 -0.43 -3.80 4.21 -1.97 0.38 115.58 115.24 1yho h ASN 29 Ca -0.08 -0.35 -0.07 0.00 1.21 0.00 0.00 56.30 57.02 1yho h ASN 29 Cb 1.50 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.47 1yho h ASN 29 CO 0.17 0.96 -0.01 -0.08 -1.29 0.00 0.00 177.43 177.19 1yho h GLU 30 N 0.64 0.77 -0.08 0.81 4.81 -1.98 0.22 114.58 119.77 1yho h GLU 30 Ca 0.11 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1yho h GLU 30 Cb 0.59 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1yho h GLU 30 CO 0.04 0.84 -0.01 0.74 -0.73 0.00 0.00 179.01 179.89 1yho h PHE 31 N 0.61 0.16 -0.60 0.92 -1.00 -1.33 -0.60 116.94 115.10 1yho h PHE 31 Ca 0.12 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.81 1yho h PHE 31 Cb 0.50 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1yho h PHE 31 CO 0.04 0.45 0.13 -0.09 -1.61 0.00 0.00 178.31 177.23 1yho h ARG 32 N -0.18 0.98 -0.17 1.51 9.65 -0.91 -2.10 114.38 123.17 1yho h ARG 32 Ca 0.02 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.58 1yho h ARG 32 Cb 0.39 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1yho h ARG 32 CO 0.01 0.90 -0.22 -0.92 2.80 0.00 0.00 179.97 182.54 1yho h TYR 33 N 0.88 0.32 -0.11 2.20 3.20 -0.53 -2.03 116.97 120.91 1yho h TYR 33 Ca 0.19 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1yho h TYR 33 Cb 0.38 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1yho h TYR 33 CO 0.03 0.50 -0.05 0.35 -1.64 0.00 0.00 178.16 177.35 1yho h PHE 34 N 0.27 0.25 -0.46 -3.82 3.04 -0.75 -2.20 116.94 113.28 1yho h PHE 34 Ca 0.05 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1yho h PHE 34 Cb 0.54 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1yho h PHE 34 CO 0.01 0.57 0.14 0.37 -2.02 0.00 0.00 178.31 177.38 1yho h GLN 35 N -0.13 0.67 -0.35 1.11 -0.00 -1.26 -2.36 115.11 112.78 1yho h GLN 35 Ca 0.02 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.51 1yho h GLN 35 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 1yho h GLN 35 CO 0.02 0.59 0.02 -0.09 0.00 0.00 0.00 178.83 179.37 1yho h ARG 36 N 0.66 0.61 -0.34 1.69 1.12 -1.30 0.25 114.38 117.07 1yho h ARG 36 Ca 0.15 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1yho h ARG 36 Cb 0.21 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 1yho h ARG 36 CO -0.01 0.71 0.22 0.52 -3.11 0.00 0.00 179.97 178.30 1yho h MET 37 N 0.43 0.44 -0.54 0.20 2.86 -1.09 0.17 114.93 117.40 1yho h MET 37 Ca 0.10 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1yho h MET 37 Cb 0.42 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1yho h MET 37 CO 0.01 0.30 -0.10 1.15 1.06 0.00 0.00 176.91 179.33 1yho h THR 38 N 0.45 1.27 -0.36 2.22 2.02 -1.37 -2.96 112.91 114.18 1yho h THR 38 Ca 0.12 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1yho h THR 38 Cb -0.05 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1yho h THR 38 CO -0.03 0.44 -0.13 0.74 0.37 0.00 0.00 175.52 176.92 1yho h THR 39 N 0.90 1.25 -0.47 3.16 2.02 -0.64 -3.37 112.91 115.75 1yho h THR 39 Ca 0.14 -1.13 -0.29 0.00 0.77 0.00 0.00 66.41 65.90 1yho h THR 39 Cb 0.67 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1yho h THR 39 CO 0.05 0.38 0.90 -0.89 0.37 0.00 0.00 175.52 176.33 1yho s THR 40 N -4.73 3.47 0.30 3.16 2.01 0.56 -4.93 115.64 115.48 1yho s THR 40 Ca -0.08 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1yho s THR 40 Cb 0.14 -4.39 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1yho s THR 40 CO 0.80 -0.88 0.65 -0.94 -0.69 0.00 0.00 174.62 173.56 1yho s SER 41 N 7.02 6.61 0.08 3.53 1.04 -1.26 -4.96 113.70 125.76 1yho s SER 41 Ca 0.70 1.03 0.04 0.00 0.48 0.00 0.00 55.95 58.20 1yho s SER 41 Cb -0.02 -2.27 -0.23 0.00 0.10 0.00 0.00 66.02 63.59 1yho s SER 41 CO 0.11 -0.20 1.12 0.77 0.98 0.00 0.00 173.24 176.03 1yho h SER 42 N 2.05 0.13 -3.28 7.02 4.64 -1.96 -3.44 113.55 118.71 1yho h SER 42 Ca -0.47 -0.15 -0.62 0.00 -0.47 0.00 0.00 61.79 60.08 1yho h SER 42 Cb 1.18 -0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 1yho h SER 42 CO 0.67 1.12 -0.58 0.68 -0.87 0.00 0.00 176.83 177.84 1yho s VAL 43 N -2.67 4.63 0.07 0.95 -7.23 -1.26 -5.09 120.40 109.80 1yho s VAL 43 Ca -0.02 -0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.86 1yho s VAL 43 Cb 0.09 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.89 1yho s VAL 43 CO 0.84 0.47 0.60 -1.61 -0.31 0.00 0.00 175.10 175.09 1yho s GLU 44 N 0.29 4.27 -0.06 4.82 8.01 -1.26 -3.88 118.70 130.90 1yho s GLU 44 Ca 0.02 0.80 0.00 0.00 0.01 0.00 0.00 54.97 55.80 1yho s GLU 44 Cb -0.13 -3.26 0.00 0.00 -4.31 0.00 0.00 34.13 26.44 1yho s GLU 44 CO 0.01 0.59 0.00 0.41 0.01 0.00 0.00 175.26 176.27 1yho n GLY 45 N 1.81 0.47 3.75 -1.39 0.00 -1.26 -5.04 105.19 103.54 1yho n GLY 45 Ca -0.09 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1yho n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yho s LYS 46 N -1.01 2.65 -0.09 1.61 -0.14 -1.25 -5.13 119.74 116.38 1yho s LYS 46 Ca 0.00 -1.20 0.02 0.00 -1.36 0.00 0.00 55.97 53.43 1yho s LYS 46 Cb 0.00 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1yho s LYS 46 CO 0.00 0.39 -0.17 -0.65 -0.76 0.00 0.00 175.35 174.16 1yho s GLN 47 N -3.74 2.99 -0.05 1.68 -0.21 -1.22 -5.06 119.66 114.05 1yho s GLN 47 Ca 0.32 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 1yho s GLN 47 Cb -0.07 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 1yho s GLN 47 CO 0.23 0.33 0.02 -0.80 -2.12 0.00 0.00 175.29 172.95 1yho s ASN 48 N 0.01 5.29 -0.22 5.90 0.01 -1.26 -3.58 114.94 121.09 1yho s ASN 48 Ca -0.06 0.10 -0.07 0.00 -0.71 0.00 0.00 52.86 52.12 1yho s ASN 48 Cb -0.15 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.02 1yho s ASN 48 CO 0.05 0.33 0.06 -0.22 -1.51 0.00 0.00 177.10 175.81 1yho s LEU 49 N -1.24 3.54 0.03 0.60 0.20 -0.93 -1.57 118.68 119.31 1yho s LEU 49 Ca 0.17 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.90 1yho s LEU 49 Cb -0.11 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1yho s LEU 49 CO 0.07 0.05 0.02 0.54 -0.29 0.00 0.00 176.35 176.73 1yho s VAL 50 N 1.14 4.24 -0.11 1.68 0.11 0.50 -0.91 120.40 127.05 1yho s VAL 50 Ca 0.04 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1yho s VAL 50 Cb -0.14 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.74 1yho s VAL 50 CO 0.03 0.29 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.35 1yho s ILE 51 N -1.19 3.34 0.08 7.04 1.01 0.12 -0.75 121.20 130.86 1yho s ILE 51 Ca 0.22 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1yho s ILE 51 Cb -0.12 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1yho s ILE 51 CO 0.14 0.54 -0.06 -0.32 0.00 0.00 0.00 174.94 175.24 1yho s MET 52 N -0.07 0.76 0.54 2.79 1.75 0.21 -2.25 119.30 123.04 1yho s MET 52 Ca -0.01 -1.23 0.03 0.00 -1.25 0.00 0.00 55.69 53.22 1yho s MET 52 Cb -0.14 -0.18 0.04 0.00 2.84 0.00 0.00 34.83 37.39 1yho s MET 52 CO 0.03 -0.02 0.75 0.20 -0.65 0.00 0.00 175.02 175.34 1yho s GLY 53 N -2.79 1.84 0.09 2.11 0.00 -1.19 -1.98 107.32 105.40 1yho s GLY 53 Ca 0.08 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 1yho s GLY 53 CO -0.04 -1.15 1.57 1.70 0.00 0.00 0.00 173.10 175.18 1yho h LYS 54 N 0.14 0.41 -0.08 2.90 3.64 -1.96 -0.94 116.57 120.69 1yho h LYS 54 Ca -0.41 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1yho h LYS 54 Cb 1.29 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1yho h LYS 54 CO 0.50 0.53 0.04 0.87 -2.27 0.00 0.00 179.45 179.12 1yho h LYS 55 N 0.23 0.11 -0.36 1.90 1.57 -1.95 -2.19 116.57 115.88 1yho h LYS 55 Ca 0.08 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1yho h LYS 55 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1yho h LYS 55 CO 0.00 0.17 0.20 1.15 -0.57 0.00 0.00 179.45 180.41 1yho h THR 56 N 0.02 1.03 -0.39 -0.16 2.02 -1.94 -0.81 112.91 112.68 1yho h THR 56 Ca 0.03 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1yho h THR 56 Cb 0.09 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1yho h THR 56 CO -0.00 0.08 -0.00 -0.25 0.37 0.00 0.00 175.52 175.71 1yho h TRP 57 N 0.41 -0.03 0.00 3.16 2.91 -1.03 0.11 115.95 121.48 1yho h TRP 57 Ca 0.14 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1yho h TRP 57 Cb 0.02 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1yho h TRP 57 CO -0.08 -0.08 0.00 0.74 -1.03 0.00 0.00 178.44 177.99 1yho h PHE 58 N 0.10 0.00 0.00 2.65 0.04 -1.08 -2.55 116.94 116.10 1yho h PHE 58 Ca 0.19 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 1yho h PHE 58 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1yho h PHE 58 CO -0.26 0.00 -0.62 0.77 -0.60 0.00 0.00 178.31 177.60 1yho h SER 59 N 0.00 0.00 -3.49 2.17 0.02 0.65 -3.45 113.55 109.45 1yho h SER 59 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1yho h SER 59 Cb 0.44 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.02 1yho h SER 59 CO 0.00 0.62 0.66 -0.63 -1.14 0.00 0.00 176.83 176.33 1yho s ILE 60 N -2.95 3.04 0.69 3.27 1.01 -0.55 -5.01 121.20 120.71 1yho s ILE 60 Ca 0.03 0.90 -0.11 0.00 0.00 0.00 0.00 60.65 61.47 1yho s ILE 60 Cb 0.08 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1yho s ILE 60 CO 0.76 0.15 1.06 -2.16 0.00 0.00 0.00 174.94 174.75 1yho s PRO 61 N -0.53 2.98 0.43 2.79 0.04 -1.26 -4.88 135.00 134.58 1yho s PRO 61 Ca 0.55 0.94 0.23 0.00 0.04 0.00 0.00 61.00 62.76 1yho s PRO 61 Cb -0.38 -2.00 0.95 0.00 0.04 0.00 0.00 34.50 33.12 1yho s PRO 61 CO 0.42 -1.07 1.85 1.49 0.04 0.00 0.00 177.00 179.73 1yho h GLU 62 N -0.69 0.00 -0.75 4.56 4.81 -1.95 -0.77 114.58 119.79 1yho h GLU 62 Ca -0.44 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1yho h GLU 62 Cb 1.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1yho h GLU 62 CO 0.57 0.26 0.50 -0.22 -0.73 0.00 0.00 179.01 179.39 1yho h LYS 63 N 0.00 0.41 0.00 1.92 3.64 -2.00 -2.88 116.57 117.65 1yho h LYS 63 Ca -0.00 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.10 1yho h LYS 63 Cb 0.70 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1yho h LYS 63 CO 0.03 0.27 -1.96 0.09 -2.27 0.00 0.00 179.45 175.62 1yho n ASN 64 N -4.48 1.84 -4.79 4.20 3.02 -1.13 -4.98 115.26 108.93 1yho n ASN 64 Ca 0.14 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 1yho n ASN 64 Cb 0.52 0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 40.22 1yho n ASN 64 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yho s ARG 65 N -2.34 4.43 0.28 3.52 3.52 -0.31 -2.76 118.95 125.29 1yho s ARG 65 Ca -0.11 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.23 1yho s ARG 65 Cb 0.05 -3.11 -0.09 0.00 -1.56 0.00 0.00 34.95 30.23 1yho s ARG 65 CO 0.53 0.51 1.16 -1.25 -0.81 0.00 0.00 175.30 175.43 1yho s PRO 66 N -1.45 4.56 0.84 5.12 0.04 -1.26 -4.56 135.00 138.28 1yho s PRO 66 Ca 0.38 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 1yho s PRO 66 Cb -0.20 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.26 1yho s PRO 66 CO 0.24 0.08 1.10 -0.51 0.04 0.00 0.00 177.00 177.95 1yho s LEU 67 N -1.33 2.72 0.12 -3.56 1.02 -1.11 -5.07 118.68 111.47 1yho s LEU 67 Ca 0.47 1.77 -0.01 0.00 0.02 0.00 0.00 54.13 56.37 1yho s LEU 67 Cb -0.34 -4.32 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 1yho s LEU 67 CO 0.43 -2.41 0.05 -0.54 0.02 0.00 0.00 176.35 173.89 1yho s LYS 68 N -4.87 0.89 0.00 1.70 1.02 -1.26 -4.88 119.74 112.35 1yho s LYS 68 Ca 0.63 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1yho s LYS 68 Cb -0.18 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1yho s LYS 68 CO 0.57 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1yho n GLY 69 N -0.07 2.77 3.17 -3.33 0.00 -1.26 -4.99 105.19 101.48 1yho n GLY 69 Ca -0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1yho n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yho s ARG 70 N 0.00 0.92 -0.02 1.61 1.81 -1.26 -4.74 118.95 117.27 1yho s ARG 70 Ca 0.00 -0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 52.83 1yho s ARG 70 Cb 0.00 -0.95 -0.05 0.00 -0.45 0.00 0.00 34.95 33.50 1yho s ARG 70 CO 0.00 0.23 1.42 0.42 -0.68 0.00 0.00 175.30 176.68 1yho s ILE 71 N -1.05 3.74 -0.11 1.52 -1.09 -0.61 -4.90 121.20 118.69 1yho s ILE 71 Ca 0.01 1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 1yho s ILE 71 Cb -0.09 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1yho s ILE 71 CO 0.02 -0.02 0.45 0.20 -1.23 0.00 0.00 174.94 174.36 1yho s ASN 72 N 2.05 6.68 -0.09 3.58 0.01 -1.26 -0.37 114.94 125.53 1yho s ASN 72 Ca 0.64 0.80 0.01 0.00 -0.71 0.00 0.00 52.86 53.60 1yho s ASN 72 Cb -0.31 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.10 1yho s ASN 72 CO 0.26 0.05 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.59 1yho s LEU 73 N 0.39 1.37 -0.12 0.60 0.20 0.08 -0.47 118.68 120.72 1yho s LEU 73 Ca 0.25 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 54.74 1yho s LEU 73 Cb -0.15 -0.82 -0.03 0.00 -0.43 0.00 0.00 46.19 44.75 1yho s LEU 73 CO 0.10 -0.06 0.01 -0.69 -0.29 0.00 0.00 176.35 175.42 1yho s VAL 74 N 1.28 4.32 -0.28 1.68 1.01 -0.74 0.68 120.40 128.34 1yho s VAL 74 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1yho s VAL 74 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1yho s VAL 74 CO -0.03 0.56 0.06 -0.76 0.00 0.00 0.00 175.10 174.92 1yho s LEU 75 N -0.40 3.72 -0.25 3.92 1.43 -0.84 -1.21 118.68 125.05 1yho s LEU 75 Ca 0.08 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.28 1yho s LEU 75 Cb -0.12 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.31 1yho s LEU 75 CO 0.02 -0.17 0.66 -0.55 0.23 0.00 0.00 176.35 176.54 1yho s SER 76 N 1.49 -0.71 -0.14 2.29 0.15 -0.43 -4.17 113.70 112.19 1yho s SER 76 Ca 0.03 1.34 0.19 0.00 0.70 0.00 0.00 55.95 58.21 1yho s SER 76 Cb -0.17 1.34 -0.27 0.00 -1.71 0.00 0.00 66.02 65.21 1yho s SER 76 CO 0.02 -0.23 0.20 0.54 1.20 0.00 0.00 173.24 174.97 1yho n ARG 77 N 2.89 0.74 -0.07 5.44 1.74 -1.26 -4.16 116.66 121.98 1yho n ARG 77 Ca -0.15 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.78 1yho n ARG 77 Cb 0.56 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.58 1yho n ARG 77 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1yho h GLU 78 N 0.00 0.74 -6.26 5.56 4.81 -1.96 -3.43 114.58 114.04 1yho h GLU 78 Ca -0.35 -0.32 -0.57 0.00 -0.13 0.00 0.00 59.36 57.99 1yho h GLU 78 Cb 1.79 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.10 1yho h GLU 78 CO 0.02 0.93 -0.05 -0.51 -0.73 0.00 0.00 179.01 178.67 1yho s LEU 79 N -8.82 4.48 -0.20 1.64 1.43 -1.26 -4.98 118.68 110.95 1yho s LEU 79 Ca -0.09 1.21 0.14 0.00 -1.03 0.00 0.00 54.13 54.36 1yho s LEU 79 Cb 0.13 -2.99 -0.22 0.00 0.03 0.00 0.00 46.19 43.13 1yho s LEU 79 CO 0.84 0.23 0.01 1.17 0.23 0.00 0.00 176.35 178.82 1yho n LYS 80 N 1.47 0.80 -4.36 1.70 4.81 -1.26 -4.90 118.16 116.41 1yho n LYS 80 Ca -0.09 0.02 -0.35 0.00 -0.87 0.00 0.00 58.31 57.02 1yho n LYS 80 Cb 0.51 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.97 1yho n LYS 80 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1yho s GLU 81 N -2.47 3.09 0.37 1.64 2.56 -1.26 -5.09 118.70 117.53 1yho s GLU 81 Ca -0.14 -0.42 -0.28 0.00 0.00 0.00 0.00 54.97 54.13 1yho s GLU 81 Cb 0.06 -2.82 -0.10 0.00 2.00 0.00 0.00 34.13 33.27 1yho s GLU 81 CO 0.74 0.64 1.35 -1.25 -0.56 0.00 0.00 175.26 176.18 1yho s PRO 82 N -0.70 4.17 0.60 4.30 0.04 -1.26 -5.00 135.00 137.14 1yho s PRO 82 Ca 0.11 2.28 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 1yho s PRO 82 Cb -0.12 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 1yho s PRO 82 CO 0.02 -0.37 1.06 -1.25 0.04 0.00 0.00 177.00 176.50 1yho s PRO 83 N -2.01 3.29 0.33 0.56 0.04 -1.26 -4.98 135.00 130.97 1yho s PRO 83 Ca 0.52 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1yho s PRO 83 Cb -0.41 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 1yho s PRO 83 CO 0.54 -0.84 1.52 -1.14 0.04 0.00 0.00 177.00 177.13 1yho s GLN 84 N -4.08 4.13 0.00 4.56 0.74 -1.26 -2.41 119.66 121.34 1yho s GLN 84 Ca 0.64 2.54 0.00 0.00 0.05 0.00 0.00 55.36 58.59 1yho s GLN 84 Cb -0.16 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1yho s GLN 84 CO 0.37 -0.56 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 1yho n GLY 85 N 1.31 3.18 3.88 2.59 0.00 -1.26 -4.99 105.19 109.91 1yho n GLY 85 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1yho n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yho s ALA 86 N -2.92 3.38 -0.08 4.61 0.00 -1.01 -4.67 121.76 121.07 1yho s ALA 86 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1yho s ALA 86 Cb 0.00 -2.65 -0.25 0.00 0.00 0.00 0.00 23.12 20.22 1yho s ALA 86 CO 0.00 0.03 0.52 0.72 0.00 0.00 0.00 175.76 177.03 1yho n HIS 87 N -1.24 1.16 -3.55 0.00 8.25 0.38 -4.94 115.22 115.29 1yho n HIS 87 Ca 0.02 0.32 -0.15 0.00 -0.26 0.00 0.00 57.72 57.65 1yho n HIS 87 Cb 0.54 -1.18 -0.05 0.00 1.12 0.00 0.00 29.99 30.42 1yho n HIS 87 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yho s PHE 88 N -2.58 -0.48 -0.08 4.41 0.08 -1.00 -5.01 117.98 113.32 1yho s PHE 88 Ca -0.13 0.60 0.02 0.00 0.12 0.00 0.00 56.93 57.54 1yho s PHE 88 Cb 0.07 0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.91 1yho s PHE 88 CO 0.80 -0.65 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.95 1yho s LEU 89 N -1.84 1.73 0.17 -0.37 2.96 -1.26 -1.79 118.68 118.28 1yho s LEU 89 Ca -0.06 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1yho s LEU 89 Cb -0.01 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1yho s LEU 89 CO 0.00 0.05 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.51 1yho s SER 90 N 0.66 4.08 -0.05 3.68 0.01 -0.35 -4.96 113.70 116.77 1yho s SER 90 Ca -0.14 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.50 1yho s SER 90 Cb -0.16 -0.62 -0.26 0.00 0.21 0.00 0.00 66.02 65.19 1yho s SER 90 CO 0.04 0.12 0.63 0.03 0.41 0.00 0.00 173.24 174.46 1yho h ARG 91 N 3.07 0.19 -4.53 12.44 3.08 -1.88 -1.13 114.38 125.61 1yho h ARG 91 Ca -0.47 -0.32 -0.22 0.00 0.07 0.00 0.00 59.98 59.04 1yho h ARG 91 Cb 1.20 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.22 1yho h ARG 91 CO 0.52 0.98 -0.63 -1.12 -1.07 0.00 0.00 179.97 178.65 1yho s SER 92 N -6.75 0.27 0.26 7.04 0.01 -1.26 -4.23 113.70 109.04 1yho s SER 92 Ca -0.13 -1.31 -0.03 0.00 1.31 0.00 0.00 55.95 55.80 1yho s SER 92 Cb 0.07 0.33 0.33 0.00 0.21 0.00 0.00 66.02 66.96 1yho s SER 92 CO 0.82 -0.78 1.78 0.25 0.41 0.00 0.00 173.24 175.71 1yho h LEU 93 N 2.72 0.81 -0.72 2.44 5.85 -1.99 -2.39 115.31 122.03 1yho h LEU 93 Ca -0.36 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1yho h LEU 93 Cb 1.23 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1yho h LEU 93 CO 0.56 0.83 0.46 -0.78 -0.34 0.00 0.00 178.44 179.17 1yho h ASP 94 N 0.81 0.84 -0.16 1.25 1.82 -1.98 0.12 116.42 119.12 1yho h ASP 94 Ca 0.17 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1yho h ASP 94 Cb 0.38 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1yho h ASP 94 CO 0.01 0.63 0.03 0.44 -1.61 0.00 0.00 179.24 178.74 1yho h ASP 95 N 0.98 0.25 -0.26 2.28 3.32 -1.91 -0.91 116.42 120.17 1yho h ASP 95 Ca 0.26 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1yho h ASP 95 Cb -0.08 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1yho h ASP 95 CO -0.05 0.43 0.01 0.00 -1.72 0.00 0.00 179.24 177.92 1yho h ALA 96 N 0.83 1.36 -0.32 3.45 0.00 -1.20 -1.59 119.26 121.78 1yho h ALA 96 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1yho h ALA 96 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1yho h ALA 96 CO 0.00 0.45 -0.27 -0.07 0.00 0.00 0.00 179.25 179.36 1yho h LEU 97 N 0.53 0.79 -0.55 0.00 3.38 -0.58 -2.07 115.31 116.81 1yho h LEU 97 Ca 0.12 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1yho h LEU 97 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1yho h LEU 97 CO 0.01 1.08 0.12 0.50 0.09 0.00 0.00 178.44 180.24 1yho h LYS 98 N 0.51 0.89 -0.39 1.13 3.64 -0.89 0.34 116.57 121.81 1yho h LYS 98 Ca 0.06 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1yho h LYS 98 Cb 0.84 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1yho h LYS 98 CO 0.07 0.85 0.16 1.25 -2.27 0.00 0.00 179.45 179.50 1yho h LEU 99 N 0.79 0.53 -0.63 5.20 5.85 -1.27 0.63 115.31 126.41 1yho h LEU 99 Ca 0.17 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1yho h LEU 99 Cb 0.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1yho h LEU 99 CO 0.01 0.55 -0.66 0.74 -0.34 0.00 0.00 178.44 178.74 1yho h THR 100 N 0.48 1.44 -0.01 1.05 2.02 -1.24 -2.94 112.91 113.70 1yho h THR 100 Ca 0.13 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1yho h THR 100 Cb 0.18 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1yho h THR 100 CO -0.01 0.63 -0.21 1.21 0.37 0.00 0.00 175.52 177.51 1yho n GLU 101 N -3.79 0.82 -2.04 6.66 2.13 0.12 -4.16 120.64 120.38 1yho n GLU 101 Ca -0.02 -0.44 -0.36 0.00 0.66 0.00 0.00 57.16 57.00 1yho n GLU 101 Cb 0.65 -1.49 0.03 0.00 0.27 0.00 0.00 31.44 30.90 1yho n GLU 101 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1yho s GLN 102 N -2.48 3.06 0.42 5.31 0.74 0.22 -4.78 119.66 122.15 1yho s GLN 102 Ca 0.26 1.82 0.18 0.00 0.05 0.00 0.00 55.36 57.66 1yho s GLN 102 Cb 0.19 -1.97 0.92 0.00 1.10 0.00 0.00 33.01 33.25 1yho s GLN 102 CO 0.50 -1.13 1.89 -1.00 -0.55 0.00 0.00 175.29 175.00 1yho h PRO 103 N 1.01 0.00 -0.02 1.67 0.13 -1.89 0.84 132.00 133.74 1yho h PRO 103 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1yho h PRO 103 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1yho h PRO 103 CO 0.56 0.29 -0.74 1.49 -0.23 0.00 0.00 178.00 179.37 1yho h GLU 104 N 0.00 0.12 0.00 0.86 4.81 -1.91 -3.28 114.58 115.18 1yho h GLU 104 Ca -0.00 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 1yho h GLU 104 Cb 0.59 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1yho h GLU 104 CO 0.04 0.80 -2.05 1.28 -0.73 0.00 0.00 179.01 178.35 1yho n LEU 105 N -3.73 0.25 0.24 1.64 4.32 -1.04 -4.21 117.00 114.47 1yho n LEU 105 Ca -0.02 0.11 0.18 0.00 -0.02 0.00 0.00 56.01 56.26 1yho n LEU 105 Cb 0.71 0.28 0.86 0.00 -1.62 0.00 0.00 43.42 43.65 1yho n LEU 105 CO 0.45 0.31 1.15 0.00 -1.22 0.00 0.00 177.39 178.09 1yho h ALA 106 N 1.29 1.63 -0.00 -1.18 0.00 0.64 0.71 119.26 122.36 1yho h ALA 106 Ca -0.33 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1yho h ALA 106 Cb 1.83 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1yho h ALA 106 CO 0.03 -0.33 -0.55 -0.91 0.00 0.00 0.00 179.25 177.49 1yho h ASN 107 N 0.00 0.01 0.00 0.00 4.21 -1.73 -3.28 115.58 114.79 1yho h ASN 107 Ca 0.07 -0.01 -0.32 0.00 1.21 0.00 0.00 56.30 57.25 1yho h ASN 107 Cb 0.57 -0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.71 1yho h ASN 107 CO -0.00 0.56 -2.22 1.17 -1.29 0.00 0.00 177.43 175.65 1yho n LYS 108 N -3.88 1.03 -4.21 0.81 4.81 0.46 -4.98 118.16 112.21 1yho n LYS 108 Ca -0.01 0.01 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1yho n LYS 108 Cb 0.56 -1.45 -0.08 0.00 0.02 0.00 0.00 35.03 34.07 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1yho s VAL 109 N -2.43 4.03 0.00 3.15 1.01 0.22 -3.38 120.40 122.99 1yho s VAL 109 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1yho s VAL 109 Cb 0.06 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1yho s VAL 109 CO 0.69 0.23 0.00 -0.67 0.00 0.00 0.00 175.10 175.35 1yho n ASP 110 N 0.93 -0.00 -4.59 3.32 2.03 -1.23 -4.23 116.55 112.77 1yho n ASP 110 Ca -0.12 0.01 -0.26 0.00 0.52 0.00 0.00 54.79 54.93 1yho n ASP 110 Cb 0.52 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 1yho n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yho s MET 111 N -2.00 2.15 0.11 -0.67 -1.94 -1.26 -3.58 119.30 112.11 1yho s MET 111 Ca 0.00 -1.25 0.10 0.00 -1.71 0.00 0.00 55.69 52.84 1yho s MET 111 Cb 0.00 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 1yho s MET 111 CO 0.00 0.43 -0.26 0.08 -0.01 0.00 0.00 175.02 175.26 1yho s VAL 112 N -1.76 2.18 -0.08 -6.03 1.01 0.36 -2.19 120.40 113.89 1yho s VAL 112 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1yho s VAL 112 Cb -0.09 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1yho s VAL 112 CO 0.16 0.13 -0.07 0.26 0.00 0.00 0.00 175.10 175.58 1yho s TRP 113 N -1.02 1.20 -0.22 5.22 0.52 -0.09 -1.33 118.94 123.22 1yho s TRP 113 Ca 0.13 -0.49 -0.08 0.00 0.02 0.00 0.00 56.10 55.67 1yho s TRP 113 Cb -0.10 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.17 1yho s TRP 113 CO 0.05 -0.36 0.09 0.42 0.02 0.00 0.00 176.95 177.17 1yho s ILE 114 N 1.33 4.83 -0.29 2.03 -1.09 0.70 0.16 121.20 128.88 1yho s ILE 114 Ca -0.03 -0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.49 1yho s ILE 114 Cb -0.14 -3.22 0.47 0.00 -1.58 0.00 0.00 42.46 37.99 1yho s ILE 114 CO -0.03 0.39 1.17 1.33 -1.23 0.00 0.00 174.94 176.57 1yho n VAL 115 N 4.12 2.24 0.00 2.92 0.24 -0.95 -1.95 118.33 124.95 1yho n VAL 115 Ca -0.16 -3.95 0.00 0.00 -2.04 0.00 0.00 64.34 58.19 1yho n VAL 115 Cb 0.52 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1yho n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yho n GLY 116 N -0.68 0.53 0.00 7.63 0.00 -1.26 -4.81 105.19 106.61 1yho n GLY 116 Ca 0.36 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1yho n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yho n GLY 117 N 0.73 0.56 0.31 -0.02 0.00 -1.26 -3.15 105.19 102.36 1yho n GLY 117 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1yho n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1yho h SER 118 N 0.00 0.92 -0.58 1.61 0.02 -1.99 -2.31 113.55 111.23 1yho h SER 118 Ca 0.00 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1yho h SER 118 Cb 0.00 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 1yho h SER 118 CO 0.00 0.92 0.32 -1.28 -1.14 0.00 0.00 176.83 175.65 1yho h SER 119 N 0.91 0.47 -0.55 3.07 0.87 -1.99 0.18 113.55 116.51 1yho h SER 119 Ca 0.19 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1yho h SER 119 Cb 0.39 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1yho h SER 119 CO 0.01 0.32 -0.06 0.58 -0.53 0.00 0.00 176.83 177.15 1yho h VAL 120 N 0.61 1.27 -0.43 2.23 2.07 -1.81 -2.46 116.25 117.72 1yho h VAL 120 Ca 0.25 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1yho h VAL 120 Cb 0.13 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1yho h VAL 120 CO -0.15 0.43 -0.14 0.22 0.02 0.00 0.00 177.57 177.95 1yho h TYR 121 N 0.93 0.88 0.05 1.57 5.03 -0.83 -2.03 116.97 122.57 1yho h TYR 121 Ca 0.15 -0.17 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1yho h TYR 121 Cb 0.62 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1yho h TYR 121 CO 0.04 0.88 -0.02 -0.22 -1.32 0.00 0.00 178.16 177.52 1yho h LYS 122 N 0.72 -0.06 -0.22 1.82 3.64 -0.48 -0.68 116.57 121.30 1yho h LYS 122 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1yho h LYS 122 Cb 0.63 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1yho h LYS 122 CO 0.04 0.10 0.14 0.93 -2.27 0.00 0.00 179.45 178.40 1yho h GLU 123 N -0.21 0.29 -0.23 1.90 4.39 -1.40 -2.18 114.58 117.13 1yho h GLU 123 Ca -0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1yho h GLU 123 Cb 0.19 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1yho h GLU 123 CO 0.01 0.19 0.11 0.00 -1.16 0.00 0.00 179.01 178.16 1yho h ALA 124 N 1.09 1.76 0.00 3.43 0.00 -1.30 -0.60 119.26 123.63 1yho h ALA 124 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yho h ALA 124 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yho h ALA 124 CO -0.02 0.20 0.00 1.98 0.00 0.00 0.00 179.25 181.41 1yho h MET 125 N 0.32 0.00 -0.72 0.00 4.05 -0.46 -2.36 114.93 115.76 1yho h MET 125 Ca 0.08 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1yho h MET 125 Cb 0.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1yho h MET 125 CO -0.01 0.00 0.03 -1.71 0.23 0.00 0.00 176.91 175.45 1yho n ASN 126 N -2.31 4.33 -4.76 1.39 5.15 -0.23 -4.94 115.26 113.89 1yho n ASN 126 Ca 0.01 -2.69 -0.40 0.00 -0.60 0.00 0.00 54.58 50.90 1yho n ASN 126 Cb 0.20 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 38.75 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1yho s HIS 127 N -2.26 3.92 0.08 1.20 3.76 -0.89 -4.98 115.29 116.13 1yho s HIS 127 Ca 0.39 1.77 -0.10 0.00 -0.15 0.00 0.00 55.06 56.97 1yho s HIS 127 Cb 0.30 -2.90 -0.22 0.00 1.11 0.00 0.00 32.58 30.87 1yho s HIS 127 CO 0.11 0.44 1.19 -1.00 -0.85 0.00 0.00 174.74 174.63 1yho h PRO 128 N 4.46 0.51 -7.53 8.40 0.13 -1.92 -3.46 132.00 132.59 1yho h PRO 128 Ca -0.45 -0.64 -0.46 0.00 -0.87 0.00 0.00 66.00 63.57 1yho h PRO 128 Cb 1.20 0.20 0.13 0.00 0.13 0.00 0.00 31.00 32.67 1yho h PRO 128 CO 0.68 1.26 0.32 0.20 -0.23 0.00 0.00 178.00 180.23 1yho s GLY 129 N -4.45 1.59 0.37 1.56 0.00 -1.26 -4.97 107.32 100.17 1yho s GLY 129 Ca -0.07 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 1yho s GLY 129 CO 0.90 -0.03 1.43 0.30 0.00 0.00 0.00 173.10 175.70 1yho s HIS 130 N -3.35 2.69 -0.02 1.90 3.76 -1.26 -5.00 115.29 114.00 1yho s HIS 130 Ca 0.65 1.24 -0.07 0.00 -0.15 0.00 0.00 55.06 56.73 1yho s HIS 130 Cb -0.13 -3.92 0.01 0.00 1.11 0.00 0.00 32.58 29.64 1yho s HIS 130 CO 0.53 -2.69 0.16 -1.17 -0.85 0.00 0.00 174.74 170.71 1yho s LEU 131 N -2.10 1.45 -0.20 0.89 0.20 -1.26 -4.75 118.68 112.91 1yho s LEU 131 Ca 0.53 -0.00 -0.10 0.00 0.69 0.00 0.00 54.13 55.25 1yho s LEU 131 Cb -0.44 0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 45.94 1yho s LEU 131 CO 0.60 -0.27 0.12 -0.54 -0.29 0.00 0.00 176.35 175.97 1yho s LYS 132 N -0.88 4.12 -0.24 1.98 3.01 -0.93 -1.76 119.74 125.05 1yho s LYS 132 Ca -0.10 -0.26 0.00 0.00 -1.01 0.00 0.00 55.97 54.61 1yho s LYS 132 Cb -0.05 -3.40 0.06 0.00 -1.01 0.00 0.00 37.83 33.44 1yho s LYS 132 CO 0.01 0.25 -0.02 -0.51 0.51 0.00 0.00 175.35 175.59 1yho s LEU 133 N 0.49 2.40 -0.37 3.17 1.43 0.19 -0.14 118.68 125.86 1yho s LEU 133 Ca 0.07 -1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 51.80 1yho s LEU 133 Cb -0.12 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1yho s LEU 133 CO -0.00 -0.27 0.48 -0.36 0.23 0.00 0.00 176.35 176.43 1yho s PHE 134 N 1.47 3.17 -0.12 0.29 0.40 0.27 0.28 117.98 123.75 1yho s PHE 134 Ca -0.03 0.04 -0.00 0.00 -0.60 0.00 0.00 56.93 56.34 1yho s PHE 134 Cb -0.18 -2.90 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 1yho s PHE 134 CO -0.08 -0.57 -0.11 0.14 0.70 0.00 0.00 175.22 175.30 1yho s VAL 135 N 2.32 3.27 -0.30 -0.44 -7.23 -0.42 -0.37 120.40 117.23 1yho s VAL 135 Ca 0.17 -0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 1yho s VAL 135 Cb -0.16 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1yho s VAL 135 CO 0.13 0.54 0.12 -0.89 -0.31 0.00 0.00 175.10 174.69 1yho s THR 136 N 0.08 4.44 -0.22 5.32 2.01 -0.79 -1.32 115.64 125.16 1yho s THR 136 Ca -0.04 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 1yho s THR 136 Cb -0.14 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1yho s THR 136 CO 0.04 0.12 0.66 -0.60 -0.69 0.00 0.00 174.62 174.15 1yho s ARG 137 N 1.60 4.18 -0.35 4.92 3.52 -0.21 0.52 118.95 133.13 1yho s ARG 137 Ca 0.05 0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 56.17 1yho s ARG 137 Cb -0.17 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1yho s ARG 137 CO 0.05 -0.32 0.23 0.42 -0.81 0.00 0.00 175.30 174.87 1yho s ILE 138 N 2.19 5.02 -1.22 4.11 -1.09 -0.30 -0.16 121.20 129.74 1yho s ILE 138 Ca 0.29 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 58.07 1yho s ILE 138 Cb -0.16 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1yho s ILE 138 CO 0.10 -0.08 1.87 0.80 -1.23 0.00 0.00 174.94 176.39 1yho n MET 139 N 5.07 2.38 -3.65 2.79 1.56 -0.11 -0.89 117.12 124.28 1yho n MET 139 Ca -0.12 -2.78 -0.03 0.00 -0.27 0.00 0.00 57.70 54.49 1yho n MET 139 Cb 0.48 -3.53 -0.07 0.00 2.15 0.00 0.00 33.22 32.25 1yho n MET 139 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1yho s GLN 140 N 5.13 0.23 -0.00 2.12 2.00 -1.26 -4.42 119.66 123.46 1yho s GLN 140 Ca 0.60 0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 53.98 1yho s GLN 140 Cb 0.04 0.09 -0.03 0.00 0.80 0.00 0.00 33.01 33.90 1yho s GLN 140 CO 0.09 -0.04 1.03 -0.51 -0.50 0.00 0.00 175.29 175.36 1yho s ASP 141 N 0.60 7.30 0.07 6.67 1.11 -1.26 -4.10 116.67 127.06 1yho s ASP 141 Ca -0.01 1.71 -0.10 0.00 0.18 0.00 0.00 52.55 54.34 1yho s ASP 141 Cb -0.04 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1yho s ASP 141 CO -0.12 -0.33 0.21 -0.36 1.18 0.00 0.00 175.17 175.75 1yho s PHE 142 N 1.17 0.09 -0.10 4.23 0.08 -1.26 -5.11 117.98 117.08 1yho s PHE 142 Ca 0.53 -0.43 -0.27 0.00 0.12 0.00 0.00 56.93 56.88 1yho s PHE 142 Cb -0.22 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.18 1yho s PHE 142 CO 0.27 -0.51 0.87 -1.21 -0.10 0.00 0.00 175.22 174.54 1yho s GLU 143 N -3.34 4.40 -0.03 0.44 2.02 -1.26 -4.95 118.70 115.98 1yho s GLU 143 Ca 0.01 1.14 -0.04 0.00 0.02 0.00 0.00 54.97 56.10 1yho s GLU 143 Cb 0.02 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.74 1yho s GLU 143 CO -0.08 -0.19 0.11 -1.12 0.02 0.00 0.00 175.26 174.00 1yho s SER 144 N 1.04 -0.07 -0.17 -0.19 0.01 -1.26 -4.50 113.70 108.55 1yho s SER 144 Ca 0.43 0.11 0.11 0.00 1.31 0.00 0.00 55.95 57.92 1yho s SER 144 Cb -0.18 0.23 -0.23 0.00 0.21 0.00 0.00 66.02 66.05 1yho s SER 144 CO 0.18 -0.11 0.15 -0.90 0.41 0.00 0.00 173.24 172.96 1yho n ASP 145 N 2.65 0.77 -4.58 2.44 5.68 -1.25 -4.86 116.55 117.41 1yho n ASP 145 Ca -0.15 0.07 -0.40 0.00 -0.50 0.00 0.00 54.79 53.82 1yho n ASP 145 Cb 0.58 0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 40.80 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1yho s THR 146 N -2.52 5.18 0.05 2.12 2.01 -1.25 -5.07 115.64 116.15 1yho s THR 146 Ca -0.15 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1yho s THR 146 Cb 0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1yho s THR 146 CO 0.78 0.05 0.22 -0.36 -0.69 0.00 0.00 174.62 174.62 1yho s PHE 147 N 2.02 3.53 0.07 4.92 0.08 -1.26 -2.89 117.98 124.45 1yho s PHE 147 Ca 0.13 0.31 -0.21 0.00 0.12 0.00 0.00 56.93 57.28 1yho s PHE 147 Cb -0.16 -1.81 -0.07 0.00 -0.57 0.00 0.00 43.02 40.42 1yho s PHE 147 CO 0.11 0.59 0.61 0.12 -0.10 0.00 0.00 175.22 176.55 1yho s PHE 148 N -1.47 3.80 0.34 0.36 5.36 0.46 -4.97 117.98 121.86 1yho s PHE 148 Ca 0.33 1.32 -0.28 0.00 -0.96 0.00 0.00 56.93 57.35 1yho s PHE 148 Cb -0.13 -2.57 -0.10 0.00 -0.34 0.00 0.00 43.02 39.88 1yho s PHE 148 CO 0.25 0.52 1.24 -1.25 -1.46 0.00 0.00 175.22 174.53 1yho s PRO 149 N -0.92 4.31 -0.12 10.12 0.04 -1.26 -4.95 135.00 142.22 1yho s PRO 149 Ca 0.31 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1yho s PRO 149 Cb -0.20 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1yho s PRO 149 CO 0.20 -0.17 1.67 -1.21 0.04 0.00 0.00 177.00 177.53 1yho s GLU 150 N -1.87 3.98 -0.20 4.56 2.02 -1.26 -4.95 118.70 120.98 1yho s GLU 150 Ca 0.50 1.99 -0.29 0.00 0.02 0.00 0.00 54.97 57.19 1yho s GLU 150 Cb -0.37 -4.03 -0.00 0.00 0.10 0.00 0.00 34.13 29.84 1yho s GLU 150 CO 0.48 -1.08 1.17 0.42 0.02 0.00 0.00 175.26 176.27 1yho s ILE 151 N 4.69 4.44 0.13 -1.63 1.01 -1.26 -4.98 121.20 123.61 1yho s ILE 151 Ca 0.74 1.73 -0.31 0.00 0.00 0.00 0.00 60.65 62.81 1yho s ILE 151 Cb -0.30 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 37.93 1yho s ILE 151 CO 0.30 -0.18 1.69 -1.81 0.00 0.00 0.00 174.94 174.93 1yho s ASP 152 N 1.70 6.51 0.32 3.58 1.11 -1.26 -4.89 116.67 123.74 1yho s ASP 152 Ca 0.50 2.66 0.17 0.00 0.18 0.00 0.00 52.55 56.06 1yho s ASP 152 Cb -0.19 -2.58 0.35 0.00 1.07 0.00 0.00 42.92 41.57 1yho s ASP 152 CO 0.12 -0.91 1.57 0.25 1.18 0.00 0.00 175.17 177.38 1yho h LEU 153 N 7.78 0.00 -1.45 1.23 7.12 -1.94 0.45 115.31 128.49 1yho h LEU 153 Ca -0.44 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.52 1yho h LEU 153 Cb 1.21 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 1yho h LEU 153 CO 0.93 0.44 -0.26 -0.33 -0.13 0.00 0.00 178.44 179.10 1yho h GLU 154 N 0.00 0.03 0.00 1.25 5.08 -2.01 -3.24 114.58 115.68 1yho h GLU 154 Ca -0.00 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 1yho h GLU 154 Cb 1.17 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1yho h GLU 154 CO 0.06 0.28 -2.33 1.17 -1.00 0.00 0.00 179.01 177.19 1yho n LYS 155 N -4.22 0.62 -3.87 2.33 4.81 -1.19 -4.98 118.16 111.66 1yho n LYS 155 Ca -0.02 0.12 -0.31 0.00 -0.87 0.00 0.00 58.31 57.23 1yho n LYS 155 Cb 0.32 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1yho s TYR 156 N -2.47 3.51 -0.14 5.64 1.51 0.14 -1.91 117.35 123.64 1yho s TYR 156 Ca -0.30 0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1yho s TYR 156 Cb 0.08 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1yho s TYR 156 CO 0.56 0.57 -0.02 0.21 -1.11 0.00 0.00 175.55 175.76 1yho s LYS 157 N -2.48 3.54 -0.24 -0.62 2.20 0.18 -4.31 119.74 118.01 1yho s LYS 157 Ca 0.35 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 55.22 1yho s LYS 157 Cb -0.13 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1yho s LYS 157 CO 0.26 0.36 0.94 -1.17 -0.36 0.00 0.00 175.35 175.39 1yho s LEU 158 N 0.06 4.08 -0.60 5.43 0.20 -1.26 -2.16 118.68 124.43 1yho s LEU 158 Ca 0.01 1.20 -0.01 0.00 0.69 0.00 0.00 54.13 56.02 1yho s LEU 158 Cb -0.13 -3.37 0.15 0.00 -0.43 0.00 0.00 46.19 42.41 1yho s LEU 158 CO 0.02 -0.61 0.39 -0.76 -0.29 0.00 0.00 176.35 175.11 1yho s LEU 159 N 3.06 4.97 0.06 -0.68 1.02 0.46 -4.98 118.68 122.58 1yho s LEU 159 Ca 0.40 -2.93 -0.28 0.00 0.02 0.00 0.00 54.13 51.34 1yho s LEU 159 Cb -0.15 -1.79 -0.14 0.00 0.02 0.00 0.00 46.19 44.13 1yho s LEU 159 CO 0.07 -0.32 1.44 -0.65 0.02 0.00 0.00 176.35 176.91 1yho h PRO 160 N 6.84 -0.81 -5.02 1.29 0.11 -1.93 -2.22 132.00 130.27 1yho h PRO 160 Ca -0.03 0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.49 1yho h PRO 160 Cb 0.93 0.18 -0.24 0.00 0.11 0.00 0.00 31.00 31.99 1yho h PRO 160 CO 0.71 -0.54 -0.66 -1.21 -0.21 0.00 0.00 178.00 176.09 1yho s GLU 161 N -5.25 3.58 -0.02 1.05 2.02 -1.26 -4.54 118.70 114.28 1yho s GLU 161 Ca -0.14 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1yho s GLU 161 Cb 0.03 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 1yho s GLU 161 CO 0.47 -0.12 -0.21 -0.47 0.02 0.00 0.00 175.26 174.94 1yho s TYR 162 N 1.37 1.95 0.33 1.61 6.14 -1.26 -5.08 117.35 122.41 1yho s TYR 162 Ca 0.05 -0.39 -0.29 0.00 0.64 0.00 0.00 57.07 57.07 1yho s TYR 162 Cb -0.15 -1.26 -0.11 0.00 0.42 0.00 0.00 41.96 40.87 1yho s TYR 162 CO 0.01 -0.05 1.50 -1.25 0.64 0.00 0.00 175.55 176.40 1yho s PRO 163 N -0.45 4.16 0.00 4.97 0.04 -1.26 -2.48 135.00 139.98 1yho s PRO 163 Ca 0.07 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1yho s PRO 163 Cb -0.09 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1yho s PRO 163 CO -0.00 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1yho n GLY 164 N 1.32 2.99 3.58 0.56 0.00 -1.26 -5.02 105.19 107.37 1yho n GLY 164 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1yho n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yho s VAL 165 N -2.44 3.70 0.48 1.61 0.11 -1.03 -5.02 120.40 117.81 1yho s VAL 165 Ca 0.00 -0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 58.31 1yho s VAL 165 Cb 0.00 -2.52 -0.07 0.00 -1.53 0.00 0.00 36.38 32.26 1yho s VAL 165 CO 0.00 0.57 1.23 -0.76 -3.33 0.00 0.00 175.10 172.81 1yho s LEU 166 N -0.89 3.97 -0.08 2.54 1.43 -1.26 -4.54 118.68 119.85 1yho s LEU 166 Ca 0.13 2.45 0.11 0.00 -1.03 0.00 0.00 54.13 55.80 1yho s LEU 166 Cb -0.11 -4.24 -0.16 0.00 0.03 0.00 0.00 46.19 41.71 1yho s LEU 166 CO 0.02 -1.11 0.12 -0.24 0.23 0.00 0.00 176.35 175.37 1yho n SER 167 N -0.63 2.10 -4.75 2.29 2.88 -1.26 -4.65 113.62 109.60 1yho n SER 167 Ca 0.08 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.24 1yho n SER 167 Cb 0.47 1.05 0.03 0.00 -0.75 0.00 0.00 64.21 65.01 1yho n SER 167 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1yho s ASP 168 N -4.12 5.47 0.01 -3.46 -1.08 -1.26 -4.68 116.67 107.55 1yho s ASP 168 Ca -0.05 2.64 -0.30 0.00 -0.52 0.00 0.00 52.55 54.31 1yho s ASP 168 Cb 0.05 -2.63 -0.06 0.00 -1.46 0.00 0.00 42.92 38.82 1yho s ASP 168 CO 0.50 -1.42 1.51 -0.69 0.52 0.00 0.00 175.17 175.59 1yho s VAL 169 N -1.37 3.51 0.06 1.11 1.01 -1.26 -4.77 120.40 118.69 1yho s VAL 169 Ca 0.70 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 63.38 1yho s VAL 169 Cb -0.37 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1yho s VAL 169 CO 0.44 -0.02 0.52 -1.10 0.00 0.00 0.00 175.10 174.94 1yho s GLN 170 N 2.76 4.08 -0.09 2.72 1.11 -0.42 -4.89 119.66 124.92 1yho s GLN 170 Ca 0.68 0.60 0.01 0.00 0.01 0.00 0.00 55.36 56.66 1yho s GLN 170 Cb -0.34 -3.19 0.02 0.00 -1.01 0.00 0.00 33.01 28.49 1yho s GLN 170 CO 0.28 0.63 -0.10 -2.00 0.01 0.00 0.00 175.29 174.11 1yho s GLU 171 N -1.23 1.66 -0.05 2.91 -6.30 -1.26 -1.05 118.70 113.39 1yho s GLU 171 Ca 0.29 -0.35 -0.02 0.00 -2.50 0.00 0.00 54.97 52.39 1yho s GLU 171 Cb -0.18 -1.55 0.04 0.00 0.00 0.00 0.00 34.13 32.44 1yho s GLU 171 CO 0.17 -0.14 0.09 -2.00 0.02 0.00 0.00 175.26 173.41 1yho s GLU 172 N 1.23 0.01 -1.66 4.30 -6.30 -0.29 -4.84 118.70 111.15 1yho s GLU 172 Ca -0.04 0.34 -0.02 0.00 -2.50 0.00 0.00 54.97 52.76 1yho s GLU 172 Cb -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 34.13 33.72 1yho s GLU 172 CO -0.03 -0.22 0.18 1.63 0.02 0.00 0.00 175.26 176.84 1yho n LYS 173 N 4.55 -2.66 -1.02 4.30 5.02 -1.26 -0.92 118.16 126.16 1yho n LYS 173 Ca -0.20 0.94 -0.01 0.00 -2.02 0.00 0.00 58.31 57.02 1yho n LYS 173 Cb 0.50 -5.66 -0.00 0.00 -0.02 0.00 0.00 35.03 29.85 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yho n GLY 174 N -1.14 0.47 3.19 0.72 0.00 -1.26 -5.02 105.19 102.15 1yho n GLY 174 Ca -0.20 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1yho n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yho s ILE 175 N -2.01 2.86 -0.09 -0.61 1.01 -0.10 -5.10 121.20 117.15 1yho s ILE 175 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 1yho s ILE 175 Cb 0.00 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1yho s ILE 175 CO 0.00 0.17 0.22 -0.54 0.00 0.00 0.00 174.94 174.79 1yho s LYS 176 N 1.31 3.59 0.04 2.79 1.02 -1.26 -1.14 119.74 126.10 1yho s LYS 176 Ca -0.00 0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.82 1yho s LYS 176 Cb -0.17 -3.21 0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1yho s LYS 176 CO -0.04 0.74 0.43 1.52 -0.92 0.00 0.00 175.35 177.08 1yho s TYR 177 N -1.00 -0.30 0.17 3.18 1.13 -0.21 -0.93 117.35 119.38 1yho s TYR 177 Ca 0.17 0.30 0.10 0.00 -1.41 0.00 0.00 57.07 56.23 1yho s TYR 177 Cb -0.13 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.92 1yho s TYR 177 CO 0.06 -0.58 -0.19 0.15 -2.51 0.00 0.00 175.55 172.49 1yho s LYS 178 N -2.37 1.71 -0.23 -3.49 1.02 0.77 -1.30 119.74 115.85 1yho s LYS 178 Ca -0.06 -1.38 -0.09 0.00 0.02 0.00 0.00 55.97 54.46 1yho s LYS 178 Cb -0.01 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1yho s LYS 178 CO -0.01 0.43 0.11 -0.06 -0.92 0.00 0.00 175.35 174.89 1yho s PHE 179 N -1.55 3.21 0.04 3.18 0.40 -1.26 -1.04 117.98 120.96 1yho s PHE 179 Ca 0.21 -0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.60 1yho s PHE 179 Cb -0.09 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1yho s PHE 179 CO 0.11 -0.07 -0.23 -2.00 0.70 0.00 0.00 175.22 173.73 1yho s GLU 180 N 1.12 1.61 -0.09 0.44 2.12 -0.43 -4.88 118.70 118.59 1yho s GLU 180 Ca 0.06 -1.01 0.02 0.00 0.36 0.00 0.00 54.97 54.39 1yho s GLU 180 Cb -0.14 -1.74 -0.02 0.00 0.26 0.00 0.00 34.13 32.49 1yho s GLU 180 CO 0.04 0.45 -0.15 0.08 -0.54 0.00 0.00 175.26 175.14 1yho s VAL 181 N -0.78 2.93 -0.08 3.70 1.01 -0.83 -1.30 120.40 125.05 1yho s VAL 181 Ca 0.10 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1yho s VAL 181 Cb -0.09 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1yho s VAL 181 CO 0.02 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.16 1yho s TYR 182 N -0.16 2.18 0.09 5.22 2.02 0.14 -0.40 117.35 126.43 1yho s TYR 182 Ca -0.01 -0.81 0.09 0.00 -0.37 0.00 0.00 57.07 55.97 1yho s TYR 182 Cb -0.13 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1yho s TYR 182 CO 0.03 -0.32 -0.24 -1.21 -1.57 0.00 0.00 175.55 172.24 1yho s GLU 183 N 0.30 1.38 -0.34 -0.62 0.41 -0.92 0.56 118.70 119.47 1yho s GLU 183 Ca -0.14 -1.17 -0.12 0.00 -0.41 0.00 0.00 54.97 53.13 1yho s GLU 183 Cb -0.16 -1.68 -0.01 0.00 -1.78 0.00 0.00 34.13 30.50 1yho s GLU 183 CO 0.06 0.41 0.23 0.21 -0.49 0.00 0.00 175.26 175.68 1yho s LYS 184 N -1.69 3.39 -0.05 1.61 2.36 -0.72 0.50 119.74 125.14 1yho s LYS 184 Ca 0.10 -0.71 0.01 0.00 -2.55 0.00 0.00 55.97 52.81 1yho s LYS 184 Cb -0.10 -3.78 -0.03 0.00 -1.05 0.00 0.00 37.83 32.87 1yho s LYS 184 CO 0.04 -0.48 -0.04 -0.80 1.55 0.00 0.00 175.35 175.62 1yho s ASN 185 N 1.69 4.89 0.00 1.43 0.02 -0.80 -4.05 114.94 118.12 1yho s ASN 185 Ca 0.06 0.01 0.00 0.00 -1.02 0.00 0.00 52.86 51.90 1yho s ASN 185 Cb -0.18 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 39.83 1yho s ASN 185 CO 0.10 0.34 0.00 -0.67 0.02 0.00 0.00 177.10 176.89