#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 0.32 3.16 2.92 0.00 -1.26 -5.02 105.19 105.31 1yho n GLY 2 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.85 5.00 -0.15 1.61 0.01 -1.26 -4.87 113.70 111.20 1yho s SER 3 Ca 0.00 -1.47 0.02 0.00 1.31 0.00 0.00 55.95 55.81 1yho s SER 3 Cb 0.00 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1yho s SER 3 CO 0.00 -0.33 -0.21 -0.76 0.41 0.00 0.00 173.24 172.34 1yho s LEU 4 N 1.22 2.10 -0.11 2.44 1.43 -1.26 -2.15 118.68 122.36 1yho s LEU 4 Ca -0.01 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1yho s LEU 4 Cb -0.20 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1yho s LEU 4 CO -0.02 0.06 -0.07 0.20 0.23 0.00 0.00 176.35 176.75 1yho s ASN 5 N 0.90 2.09 0.07 2.29 -0.87 -0.70 -2.12 114.94 116.60 1yho s ASN 5 Ca -0.05 -0.28 0.01 0.00 -1.57 0.00 0.00 52.86 50.97 1yho s ASN 5 Cb -0.15 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.25 40.23 1yho s ASN 5 CO -0.04 -0.11 0.16 0.00 -2.57 0.00 0.00 177.10 174.54 1yho s ILE 7 N -1.48 -0.94 0.04 0.00 2.07 -0.79 0.45 121.20 120.55 1yho s ILE 7 Ca 0.33 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 1yho s ILE 7 Cb -0.13 -0.95 -0.00 0.00 0.13 0.00 0.00 42.46 41.51 1yho s ILE 7 CO 0.26 0.00 0.15 0.68 -1.91 0.00 0.00 174.94 174.12 1yho s VAL 8 N 2.84 0.12 -0.11 4.00 -7.23 -0.20 -4.41 120.40 115.40 1yho s VAL 8 Ca 0.02 -0.97 -0.10 0.00 -1.81 0.00 0.00 61.98 59.11 1yho s VAL 8 Cb -0.13 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1yho s VAL 8 CO -0.18 -0.54 0.21 0.00 -0.31 0.00 0.00 175.10 174.28 1yho s ALA 9 N -2.52 3.77 0.01 1.32 0.00 -1.26 -1.97 121.76 121.11 1yho s ALA 9 Ca -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1yho s ALA 9 Cb -0.01 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1yho s ALA 9 CO -0.04 0.44 -0.06 0.14 0.00 0.00 0.00 175.76 176.24 1yho s VAL 10 N -0.60 0.48 0.75 0.00 -7.23 0.62 -4.73 120.40 109.69 1yho s VAL 10 Ca 0.16 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 1yho s VAL 10 Cb -0.13 -0.47 0.04 0.00 0.56 0.00 0.00 36.38 36.39 1yho s VAL 10 CO 0.05 -0.08 1.13 -0.55 -0.31 0.00 0.00 175.10 175.33 1yho s SER 11 N -0.72 5.03 0.64 4.85 0.15 0.85 -1.63 113.70 122.87 1yho s SER 11 Ca -0.03 1.01 0.38 0.00 0.70 0.00 0.00 55.95 58.01 1yho s SER 11 Cb -0.05 -1.69 2.13 0.00 -1.71 0.00 0.00 66.02 64.69 1yho s SER 11 CO 0.00 -1.59 2.28 -0.61 1.20 0.00 0.00 173.24 174.52 1yho h GLN 12 N -0.83 0.00 -0.78 5.44 4.15 -1.37 0.23 115.11 121.94 1yho h GLN 12 Ca -0.46 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.83 1yho h GLN 12 Cb 1.28 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.89 1yho h GLN 12 CO 0.64 0.00 0.17 -1.71 -1.93 0.00 0.00 178.83 176.01 1yho n ASN 13 N -3.36 4.36 -2.44 -0.69 5.15 -1.26 -4.88 115.26 112.14 1yho n ASN 13 Ca -0.03 -2.91 -0.20 0.00 -0.60 0.00 0.00 54.58 50.84 1yho n ASN 13 Cb 0.12 -0.69 -0.01 0.00 -0.53 0.00 0.00 39.78 38.67 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 0.06 -1.92 -3.95 1.20 2.81 0.07 -4.89 117.12 110.49 1yho n MET 14 Ca 0.30 0.98 -0.32 0.00 -1.81 0.00 0.00 57.70 56.86 1yho n MET 14 Cb 1.14 -5.66 -0.05 0.00 -0.71 0.00 0.00 33.22 27.95 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 -2.09 2.14 -0.04 3.03 0.00 -1.24 -0.39 107.32 108.73 1yho s GLY 15 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1yho s GLY 15 CO 0.02 -0.80 -0.04 0.29 0.00 0.00 0.00 173.10 172.57 1yho n ILE 16 N 0.55 0.25 -3.64 0.90 -5.35 -1.17 -0.11 119.36 110.79 1yho n ILE 16 Ca -0.08 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.27 1yho n ILE 16 Cb 0.52 -0.73 -0.06 0.00 -1.74 0.00 0.00 39.64 37.63 1yho n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1yho s GLY 17 N -4.47 0.19 -0.17 3.28 0.00 -1.26 -4.56 107.32 100.33 1yho s GLY 17 Ca -0.06 3.15 -0.04 0.00 0.00 0.00 0.00 44.72 47.77 1yho s GLY 17 CO 0.10 1.64 -0.03 1.25 0.00 0.00 0.00 173.10 176.06 1yho s LYS 18 N -0.32 3.67 -1.73 2.90 2.20 0.29 -3.68 119.74 123.08 1yho s LYS 18 Ca 0.07 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1yho s LYS 18 Cb -0.04 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1yho s LYS 18 CO -0.11 0.19 0.04 0.09 -0.36 0.00 0.00 175.35 175.20 1yho n ASN 19 N 3.68 -5.82 -0.20 1.43 4.13 -1.26 -1.33 115.26 115.90 1yho n ASN 19 Ca -0.17 -0.04 -0.03 0.00 1.68 0.00 0.00 54.58 56.02 1yho n ASN 19 Cb 0.52 -4.82 -0.01 0.00 -1.54 0.00 0.00 39.78 33.93 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yho n GLY 20 N -1.05 0.56 3.01 7.41 0.00 -1.26 -5.03 105.19 108.82 1yho n GLY 20 Ca -0.23 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1yho n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yho s ASP 21 N -2.97 0.61 0.40 1.61 1.11 -0.44 -4.98 116.67 112.00 1yho s ASP 21 Ca 0.00 -0.40 -0.26 0.00 0.18 0.00 0.00 52.55 52.08 1yho s ASP 21 Cb 0.00 0.02 -0.08 0.00 1.07 0.00 0.00 42.92 43.93 1yho s ASP 21 CO 0.00 -0.15 1.22 -0.76 1.18 0.00 0.00 175.17 176.66 1yho s LEU 22 N -1.11 4.20 0.10 1.23 1.43 -1.26 0.11 118.68 123.38 1yho s LEU 22 Ca -0.08 2.47 -0.14 0.00 -1.03 0.00 0.00 54.13 55.35 1yho s LEU 22 Cb -0.07 -3.97 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 1yho s LEU 22 CO -0.00 -0.75 1.38 1.55 0.23 0.00 0.00 176.35 178.76 1yho h PRO 23 N 2.66 0.76 -6.87 1.29 0.13 -1.87 -3.45 132.00 124.65 1yho h PRO 23 Ca -0.49 -0.48 -0.47 0.00 -0.87 0.00 0.00 66.00 63.69 1yho h PRO 23 Cb 1.24 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1yho h PRO 23 CO 0.62 1.10 0.23 1.67 -0.23 0.00 0.00 178.00 181.40 1yho s TRP 24 N -4.13 3.42 1.16 1.56 -2.14 -1.26 -4.96 118.94 112.59 1yho s TRP 24 Ca -0.12 1.48 -0.15 0.00 2.66 0.00 0.00 56.10 59.98 1yho s TRP 24 Cb 0.09 -2.73 0.27 0.00 -3.10 0.00 0.00 33.47 28.00 1yho s TRP 24 CO 0.86 0.05 1.05 -1.25 -2.66 0.00 0.00 176.95 175.00 1yho s PRO 25 N -2.81 -0.84 -0.25 3.25 0.04 -1.26 -4.86 135.00 128.27 1yho s PRO 25 Ca 0.55 0.49 -0.39 0.00 0.04 0.00 0.00 61.00 61.69 1yho s PRO 25 Cb -0.12 -1.59 -0.15 0.00 0.04 0.00 0.00 34.50 32.68 1yho s PRO 25 CO 0.17 -3.58 1.76 -2.30 0.04 0.00 0.00 177.00 173.09 1yho n PRO 26 N -4.76 1.29 -3.60 0.56 -0.02 -1.26 -4.93 135.00 122.27 1yho n PRO 26 Ca 0.06 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 1yho n PRO 26 Cb 0.57 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.58 5.62 0.31 2.45 2.96 -1.26 -4.94 118.68 127.40 1yho s LEU 27 Ca 0.98 -2.06 -0.01 0.00 -0.22 0.00 0.00 54.13 52.82 1yho s LEU 27 Cb -1.02 -1.97 0.48 0.00 0.50 0.00 0.00 46.19 44.18 1yho s LEU 27 CO 0.64 -0.63 1.98 -0.09 -1.32 0.00 0.00 176.35 176.92 1yho h ARG 28 N 8.22 1.04 -0.49 1.98 9.65 -1.97 0.57 114.38 133.37 1yho h ARG 28 Ca -0.16 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.57 1yho h ARG 28 Cb 1.06 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 1yho h ARG 28 CO 0.81 0.69 -0.01 -0.97 2.80 0.00 0.00 179.97 183.29 1yho h ASN 29 N 1.07 0.86 -0.30 -3.80 -1.24 -1.98 0.12 115.58 110.32 1yho h ASN 29 Ca 0.29 -0.31 -0.10 0.00 0.71 0.00 0.00 56.30 56.89 1yho h ASN 29 Cb -0.11 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 1yho h ASN 29 CO -0.07 0.96 -0.22 -0.08 -1.29 0.00 0.00 177.43 176.74 1yho h GLU 30 N 0.74 0.68 -0.30 6.67 4.81 -1.84 0.25 114.58 125.59 1yho h GLU 30 Ca 0.14 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1yho h GLU 30 Cb 0.52 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1yho h GLU 30 CO 0.03 0.93 -0.05 0.74 -0.73 0.00 0.00 179.01 179.92 1yho h PHE 31 N 0.43 0.63 -0.22 0.92 -1.00 -0.84 0.22 116.94 117.07 1yho h PHE 31 Ca 0.06 -0.13 -0.09 0.00 2.81 0.00 0.00 57.97 60.62 1yho h PHE 31 Cb 0.77 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 1yho h PHE 31 CO 0.07 0.74 -0.22 -0.09 -1.61 0.00 0.00 178.31 177.20 1yho h ARG 32 N 0.33 0.53 -0.51 1.51 2.43 -0.76 -0.26 114.38 117.65 1yho h ARG 32 Ca 0.08 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1yho h ARG 32 Cb 0.52 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1yho h ARG 32 CO 0.03 0.86 0.01 -0.92 -1.51 0.00 0.00 179.97 178.44 1yho h TYR 33 N 0.21 0.97 -0.08 2.20 3.20 -0.49 0.60 116.97 123.59 1yho h TYR 33 Ca 0.03 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1yho h TYR 33 Cb 0.77 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1yho h TYR 33 CO 0.08 0.90 -0.02 0.35 -1.64 0.00 0.00 178.16 177.83 1yho h PHE 34 N 0.76 0.18 -0.60 -3.82 3.57 -0.56 -1.97 116.94 114.49 1yho h PHE 34 Ca 0.15 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1yho h PHE 34 Cb 0.50 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1yho h PHE 34 CO 0.04 0.48 0.17 1.96 -2.23 0.00 0.00 178.31 178.73 1yho h GLN 35 N -0.18 0.93 -0.31 1.11 4.20 -1.02 -2.25 115.11 117.59 1yho h GLN 35 Ca 0.02 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1yho h GLN 35 Cb 0.43 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1yho h GLN 35 CO 0.01 0.81 0.12 -0.09 -0.67 0.00 0.00 178.83 179.01 1yho h ARG 36 N 0.89 0.46 0.30 1.46 2.43 -0.82 0.04 114.38 119.14 1yho h ARG 36 Ca 0.20 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1yho h ARG 36 Cb 0.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1yho h ARG 36 CO -0.00 0.47 -0.15 1.98 -1.51 0.00 0.00 179.97 180.75 1yho h MET 37 N 0.35 -0.40 -0.83 0.20 4.05 -1.15 0.42 114.93 117.57 1yho h MET 37 Ca 0.10 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1yho h MET 37 Cb 0.18 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1yho h MET 37 CO -0.01 -0.27 0.55 1.79 0.23 0.00 0.00 176.91 179.21 1yho h THR 38 N -0.42 1.21 -0.26 -0.77 1.35 -1.37 -2.58 112.91 110.08 1yho h THR 38 Ca -0.04 -0.39 -0.12 0.00 -0.55 0.00 0.00 66.41 65.31 1yho h THR 38 Cb 0.33 -0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1yho h THR 38 CO 0.06 0.20 -0.33 0.74 -0.25 0.00 0.00 175.52 175.94 1yho h THR 39 N 1.12 1.31 -2.06 6.82 2.02 -0.66 -3.41 112.91 118.05 1yho h THR 39 Ca 0.31 -1.52 -0.51 0.00 0.77 0.00 0.00 66.41 65.46 1yho h THR 39 Cb -0.12 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1yho h THR 39 CO -0.07 0.48 1.38 0.42 0.37 0.00 0.00 175.52 178.10 1yho s THR 40 N -4.25 3.33 -0.03 3.16 -4.23 0.14 -4.97 115.64 108.80 1yho s THR 40 Ca -0.12 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1yho s THR 40 Cb 0.08 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1yho s THR 40 CO 0.83 -0.70 0.20 -0.44 -0.54 0.00 0.00 174.62 173.97 1yho s SER 41 N 8.27 6.42 0.14 3.99 0.01 -1.26 -4.89 113.70 126.38 1yho s SER 41 Ca 0.73 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1yho s SER 41 Cb -0.15 -2.05 -0.07 0.00 0.21 0.00 0.00 66.02 63.96 1yho s SER 41 CO 0.24 0.30 1.33 -1.28 0.41 0.00 0.00 173.24 174.23 1yho h SER 42 N 4.17 0.32 -3.22 2.44 0.87 -1.96 -3.44 113.55 112.73 1yho h SER 42 Ca -0.51 -0.28 -0.60 0.00 -1.23 0.00 0.00 61.79 59.17 1yho h SER 42 Cb 1.20 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 62.95 1yho h SER 42 CO 0.65 1.10 -0.43 -0.69 -0.53 0.00 0.00 176.83 176.93 1yho s VAL 43 N -3.13 5.38 0.13 2.23 1.01 -1.26 -5.08 120.40 119.68 1yho s VAL 43 Ca -0.03 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 1yho s VAL 43 Cb 0.09 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1yho s VAL 43 CO 0.84 0.44 0.72 -1.61 0.00 0.00 0.00 175.10 175.49 1yho s GLU 44 N 0.25 4.47 -0.04 2.72 2.02 -1.26 -3.75 118.70 123.11 1yho s GLU 44 Ca 0.12 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1yho s GLU 44 Cb -0.12 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1yho s GLU 44 CO 0.01 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1yho n GLY 45 N 1.67 0.47 3.55 -1.39 0.00 -1.26 -5.03 105.19 103.20 1yho n GLY 45 Ca -0.07 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.85 1.98 0.02 1.61 -0.14 -1.25 -5.14 119.74 115.96 1yho s LYS 46 Ca 0.00 -1.30 0.07 0.00 -1.36 0.00 0.00 55.97 53.38 1yho s LYS 46 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 1yho s LYS 46 CO 0.00 0.43 -0.19 -0.65 -0.76 0.00 0.00 175.35 174.18 1yho s GLN 47 N -2.77 2.14 -0.08 1.68 -0.21 -1.24 -5.02 119.66 114.17 1yho s GLN 47 Ca 0.24 -0.93 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 1yho s GLN 47 Cb -0.09 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 1yho s GLN 47 CO 0.14 0.56 0.01 -0.80 -2.12 0.00 0.00 175.29 173.08 1yho s ASN 48 N -1.18 5.29 -0.26 5.90 0.01 -1.26 -2.12 114.94 121.31 1yho s ASN 48 Ca 0.13 0.14 -0.07 0.00 -0.71 0.00 0.00 52.86 52.35 1yho s ASN 48 Cb -0.10 -1.49 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 1yho s ASN 48 CO 0.03 0.37 0.08 -0.22 -1.51 0.00 0.00 177.10 175.85 1yho s LEU 49 N -0.99 3.55 -0.04 0.60 2.96 -0.91 -1.70 118.68 122.15 1yho s LEU 49 Ca 0.14 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1yho s LEU 49 Cb -0.11 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1yho s LEU 49 CO 0.04 -0.07 0.01 0.68 -1.32 0.00 0.00 176.35 175.68 1yho s VAL 50 N 1.59 4.25 -0.13 1.68 -7.23 0.05 -0.77 120.40 119.85 1yho s VAL 50 Ca 0.06 -0.44 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1yho s VAL 50 Cb -0.16 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1yho s VAL 50 CO 0.03 0.47 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.61 1yho s ILE 51 N -1.01 3.72 0.17 -0.62 1.01 -0.42 -0.44 121.20 123.62 1yho s ILE 51 Ca 0.17 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1yho s ILE 51 Cb -0.11 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1yho s ILE 51 CO 0.07 0.53 -0.04 -0.32 0.00 0.00 0.00 174.94 175.18 1yho s MET 52 N 0.00 1.13 0.62 2.79 1.75 0.22 -2.11 119.30 123.71 1yho s MET 52 Ca -0.00 -1.53 -0.02 0.00 -1.25 0.00 0.00 55.69 52.89 1yho s MET 52 Cb -0.14 -0.50 0.05 0.00 2.84 0.00 0.00 34.83 37.09 1yho s MET 52 CO 0.03 -0.03 0.88 0.20 -0.65 0.00 0.00 175.02 175.44 1yho s GLY 53 N -3.20 1.78 0.08 2.11 0.00 -1.11 -1.97 107.32 105.01 1yho s GLY 53 Ca 0.21 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.50 1yho s GLY 53 CO 0.03 -0.88 1.53 1.70 0.00 0.00 0.00 173.10 175.48 1yho h LYS 54 N -0.22 0.35 -0.39 2.90 3.64 -1.96 -1.40 116.57 119.49 1yho h LYS 54 Ca -0.42 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1yho h LYS 54 Cb 1.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1yho h LYS 54 CO 0.53 0.53 0.16 -0.22 -2.27 0.00 0.00 179.45 178.18 1yho h LYS 55 N 0.13 0.58 -0.56 1.90 1.63 -1.95 -2.22 116.57 116.09 1yho h LYS 55 Ca 0.06 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1yho h LYS 55 Cb 0.35 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1yho h LYS 55 CO 0.01 0.55 0.36 1.15 -3.45 0.00 0.00 179.45 178.06 1yho h THR 56 N 0.48 1.12 -0.86 1.00 2.02 -1.93 -0.21 112.91 114.53 1yho h THR 56 Ca 0.13 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1yho h THR 56 Cb 0.18 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 1yho h THR 56 CO -0.01 0.13 0.56 -0.25 0.37 0.00 0.00 175.52 176.32 1yho h TRP 57 N 0.73 1.06 0.00 3.16 2.91 -1.07 -0.85 115.95 121.88 1yho h TRP 57 Ca 0.21 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1yho h TRP 57 Cb -0.06 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.24 1yho h TRP 57 CO -0.04 0.63 0.00 0.74 -1.03 0.00 0.00 178.44 178.74 1yho h PHE 58 N 1.11 0.00 0.00 2.65 -1.00 -0.91 -3.04 116.94 115.75 1yho h PHE 58 Ca 0.33 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.93 1yho h PHE 58 Cb -0.05 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 1yho h PHE 58 CO -0.02 0.00 -0.95 0.77 -1.61 0.00 0.00 178.31 176.50 1yho h SER 59 N 0.00 0.00 -2.86 2.17 0.02 0.28 -3.45 113.55 109.71 1yho h SER 59 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1yho h SER 59 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1yho h SER 59 CO 0.00 0.78 0.89 -0.63 -1.14 0.00 0.00 176.83 176.73 1yho s ILE 60 N -2.81 3.84 0.95 3.27 1.01 -0.56 -4.99 121.20 121.91 1yho s ILE 60 Ca 0.01 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 1yho s ILE 60 Cb 0.09 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.88 1yho s ILE 60 CO 0.79 -0.04 0.56 -2.65 0.00 0.00 0.00 174.94 173.60 1yho n PRO 61 N 5.96 -0.34 0.16 2.79 -0.02 -1.26 -4.80 135.00 137.49 1yho n PRO 61 Ca 0.14 -0.05 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 1yho n PRO 61 Cb 0.44 -1.96 0.26 0.00 -0.02 0.00 0.00 33.50 32.21 1yho n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1yho h GLU 62 N -1.64 0.00 -0.61 -0.52 5.08 -1.94 -2.56 114.58 112.39 1yho h GLU 62 Ca -0.43 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1yho h GLU 62 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1yho h GLU 62 CO 0.36 0.49 0.40 0.87 -1.00 0.00 0.00 179.01 180.13 1yho h LYS 63 N 0.00 0.57 0.02 2.33 1.79 -1.99 -2.26 116.57 117.03 1yho h LYS 63 Ca -0.00 -0.03 -0.30 0.00 -2.18 0.00 0.00 60.65 58.13 1yho h LYS 63 Cb 0.99 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 1yho h LYS 63 CO 0.06 0.38 -1.72 -0.91 -1.08 0.00 0.00 179.45 176.18 1yho h ASN 64 N 0.59 0.06 -3.56 0.86 2.35 -1.90 -3.46 115.58 110.53 1yho h ASN 64 Ca 0.26 -0.14 -0.52 0.00 -0.55 0.00 0.00 56.30 55.35 1yho h ASN 64 Cb 0.28 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1yho h ASN 64 CO -0.08 1.13 0.22 -0.13 -1.65 0.00 0.00 177.43 176.92 1yho s ARG 65 N -2.60 4.62 0.61 0.81 0.52 -0.85 -2.77 118.95 119.30 1yho s ARG 65 Ca -0.07 1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 56.20 1yho s ARG 65 Cb 0.08 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 1yho s ARG 65 CO 0.82 0.51 1.11 -1.25 0.02 0.00 0.00 175.30 176.51 1yho s PRO 66 N -0.95 3.04 -0.92 3.54 0.04 -1.26 -4.79 135.00 133.71 1yho s PRO 66 Ca 0.38 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1yho s PRO 66 Cb -0.23 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1yho s PRO 66 CO 0.27 -1.07 1.34 -0.51 0.04 0.00 0.00 177.00 177.08 1yho s LEU 67 N -4.44 3.61 0.70 -3.56 2.01 -1.11 -5.00 118.68 110.89 1yho s LEU 67 Ca 0.69 -1.21 -0.13 0.00 0.01 0.00 0.00 54.13 53.49 1yho s LEU 67 Cb -0.21 -2.54 0.02 0.00 0.01 0.00 0.00 46.19 43.46 1yho s LEU 67 CO 0.36 -1.55 1.09 -0.75 1.01 0.00 0.00 176.35 176.51 1yho s LYS 68 N 4.91 2.65 0.00 1.70 2.47 -1.26 -3.65 119.74 126.55 1yho s LYS 68 Ca 0.40 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 1yho s LYS 68 Cb -0.04 -1.94 0.00 0.00 -1.46 0.00 0.00 37.83 34.39 1yho s LYS 68 CO -0.02 -1.35 0.00 0.41 0.16 0.00 0.00 175.35 174.55 1yho n GLY 69 N -1.03 3.08 3.04 5.54 0.00 -1.26 -4.99 105.19 109.56 1yho n GLY 69 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.28 0.27 -0.15 1.61 0.52 -1.24 -4.77 118.95 114.91 1yho s ARG 70 Ca 0.00 -0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1yho s ARG 70 Cb 0.00 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1yho s ARG 70 CO 0.00 -0.05 1.44 0.42 0.02 0.00 0.00 175.30 177.13 1yho s ILE 71 N -0.47 3.96 -0.21 1.52 -1.09 -0.69 -4.82 121.20 119.39 1yho s ILE 71 Ca -0.06 1.15 -0.16 0.00 -2.23 0.00 0.00 60.65 59.36 1yho s ILE 71 Cb -0.04 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1yho s ILE 71 CO 0.01 -0.17 0.41 0.20 -1.23 0.00 0.00 174.94 174.16 1yho s ASN 72 N 2.80 6.42 -0.14 3.58 0.01 -1.26 -0.77 114.94 125.58 1yho s ASN 72 Ca 0.63 0.49 0.01 0.00 -0.71 0.00 0.00 52.86 53.28 1yho s ASN 72 Cb -0.25 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.19 1yho s ASN 72 CO 0.22 -0.11 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.33 1yho s LEU 73 N 1.49 1.75 -0.06 0.60 0.20 0.42 -1.26 118.68 121.82 1yho s LEU 73 Ca 0.19 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.51 1yho s LEU 73 Cb -0.15 -1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 1yho s LEU 73 CO 0.08 -0.03 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.41 1yho s VAL 74 N 1.30 4.10 -0.27 1.68 1.01 -0.85 0.72 120.40 128.09 1yho s VAL 74 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1yho s VAL 74 Cb -0.13 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1yho s VAL 74 CO -0.08 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 174.88 1yho s LEU 75 N -1.03 3.61 -0.16 3.92 1.43 -0.83 -1.63 118.68 123.99 1yho s LEU 75 Ca 0.14 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1yho s LEU 75 Cb -0.11 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1yho s LEU 75 CO 0.04 -0.11 0.41 -0.55 0.23 0.00 0.00 176.35 176.37 1yho s SER 76 N 1.56 -0.44 -0.22 2.29 0.15 -0.75 -3.87 113.70 112.42 1yho s SER 76 Ca 0.05 0.83 0.09 0.00 0.70 0.00 0.00 55.95 57.62 1yho s SER 76 Cb -0.16 0.82 -0.20 0.00 -1.71 0.00 0.00 66.02 64.77 1yho s SER 76 CO 0.03 -0.15 -0.08 0.54 1.20 0.00 0.00 173.24 174.78 1yho n ARG 77 N 3.15 0.73 -0.20 5.44 1.74 -1.26 -4.19 116.66 122.07 1yho n ARG 77 Ca -0.15 0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1yho n ARG 77 Cb 0.57 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.68 1yho n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1yho h GLU 78 N 0.00 0.98 -6.90 5.56 5.08 -1.96 -3.42 114.58 113.92 1yho h GLU 78 Ca -0.54 -0.15 -0.47 0.00 -1.00 0.00 0.00 59.36 57.21 1yho h GLU 78 Cb 2.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1yho h GLU 78 CO -0.03 0.78 0.29 -1.17 -1.00 0.00 0.00 179.01 177.88 1yho s LEU 79 N -9.60 4.15 -0.19 1.33 2.96 -1.26 -4.99 118.68 111.09 1yho s LEU 79 Ca -0.11 1.67 0.17 0.00 -0.22 0.00 0.00 54.13 55.64 1yho s LEU 79 Cb 0.16 -4.18 -0.24 0.00 0.50 0.00 0.00 46.19 42.43 1yho s LEU 79 CO 0.81 -0.18 0.07 1.17 -1.32 0.00 0.00 176.35 176.89 1yho n LYS 80 N 0.01 0.80 -4.51 1.98 4.81 -1.26 -4.95 118.16 115.04 1yho n LYS 80 Ca 0.04 -0.01 -0.27 0.00 -0.87 0.00 0.00 58.31 57.19 1yho n LYS 80 Cb 0.52 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.93 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1yho s GLU 81 N -2.48 1.39 0.52 1.64 2.02 -1.26 -5.12 118.70 115.41 1yho s GLU 81 Ca -0.10 -1.17 -0.21 0.00 0.02 0.00 0.00 54.97 53.51 1yho s GLU 81 Cb 0.06 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.53 1yho s GLU 81 CO 0.80 0.41 1.04 -2.30 0.02 0.00 0.00 175.26 175.24 1yho n PRO 82 N 1.32 1.23 -1.99 0.39 -0.02 -1.26 -4.97 135.00 129.71 1yho n PRO 82 Ca -0.18 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 1yho n PRO 82 Cb 0.53 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1yho n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yho s PRO 83 N -2.46 3.22 0.11 0.52 0.04 -1.26 -4.95 135.00 130.21 1yho s PRO 83 Ca 0.69 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 1yho s PRO 83 Cb -0.47 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 1yho s PRO 83 CO 0.52 -0.90 1.84 0.94 0.04 0.00 0.00 177.00 179.43 1yho n GLN 84 N -2.11 2.74 0.00 4.56 7.27 -1.26 -1.53 117.38 127.05 1yho n GLN 84 Ca 0.09 1.00 0.00 0.00 0.07 0.00 0.00 57.00 58.16 1yho n GLN 84 Cb 0.53 -2.89 0.00 0.00 2.41 0.00 0.00 30.24 30.29 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1yho n GLY 85 N 4.22 3.15 3.76 1.69 0.00 -1.26 -4.90 105.19 111.84 1yho n GLY 85 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 3.37 0.12 4.61 0.00 -0.58 -4.56 121.76 121.80 1yho s ALA 86 Ca 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 1yho s ALA 86 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1yho s ALA 86 CO 0.00 -0.05 1.34 0.45 0.00 0.00 0.00 175.76 177.51 1yho h HIS 87 N 3.84 0.92 -2.50 0.00 3.86 -1.49 -3.46 115.15 116.32 1yho h HIS 87 Ca -0.46 -0.41 -0.05 0.00 -1.16 0.00 0.00 60.37 58.29 1yho h HIS 87 Cb 1.21 -0.14 -0.17 0.00 1.06 0.00 0.00 27.41 29.37 1yho h HIS 87 CO 0.59 1.22 0.13 -0.06 0.86 0.00 0.00 177.93 180.67 1yho s PHE 88 N -3.70 -0.54 -0.07 2.45 0.08 -1.05 -5.02 117.98 110.13 1yho s PHE 88 Ca -0.09 0.71 0.02 0.00 0.12 0.00 0.00 56.93 57.69 1yho s PHE 88 Cb 0.09 0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.97 1yho s PHE 88 CO 0.89 -0.67 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.06 1yho s LEU 89 N -1.79 1.57 0.00 -0.37 2.96 -1.26 -2.00 118.68 117.79 1yho s LEU 89 Ca -0.07 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1yho s LEU 89 Cb -0.01 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1yho s LEU 89 CO 0.01 0.01 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.49 1yho s SER 90 N 0.83 4.22 -0.00 3.68 0.01 -0.65 -4.88 113.70 116.90 1yho s SER 90 Ca -0.12 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 56.65 1yho s SER 90 Cb -0.15 -0.87 -0.17 0.00 0.21 0.00 0.00 66.02 65.03 1yho s SER 90 CO 0.02 0.29 1.22 -0.09 0.41 0.00 0.00 173.24 175.09 1yho h ARG 91 N 4.73 -0.24 -5.07 12.44 2.43 -1.89 -2.00 114.38 124.78 1yho h ARG 91 Ca -0.48 0.02 -0.41 0.00 -0.81 0.00 0.00 59.98 58.30 1yho h ARG 91 Cb 1.16 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 1yho h ARG 91 CO 0.51 0.12 -0.62 0.45 -1.51 0.00 0.00 179.97 178.93 1yho s SER 92 N -5.31 1.82 0.29 -3.80 0.15 -1.26 -4.12 113.70 101.48 1yho s SER 92 Ca -0.14 -1.36 -0.01 0.00 0.70 0.00 0.00 55.95 55.13 1yho s SER 92 Cb 0.02 0.03 0.44 0.00 -1.71 0.00 0.00 66.02 64.80 1yho s SER 92 CO 0.58 -0.65 1.87 0.25 1.20 0.00 0.00 173.24 176.49 1yho h LEU 93 N 2.26 0.79 -1.03 3.45 5.85 -1.99 -2.23 115.31 122.42 1yho h LEU 93 Ca -0.39 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1yho h LEU 93 Cb 1.24 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1yho h LEU 93 CO 0.65 0.72 0.66 -0.78 -0.34 0.00 0.00 178.44 179.35 1yho h ASP 94 N 0.86 1.14 -0.07 1.25 3.58 -1.98 0.29 116.42 121.49 1yho h ASP 94 Ca 0.20 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1yho h ASP 94 Cb 0.18 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1yho h ASP 94 CO -0.02 0.82 -0.04 0.44 -2.88 0.00 0.00 179.24 177.56 1yho h ASP 95 N 1.34 0.16 -0.14 2.28 5.19 -1.86 -1.14 116.42 122.25 1yho h ASP 95 Ca 0.36 -0.44 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 1yho h ASP 95 Cb -0.15 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1yho h ASP 95 CO -0.08 0.57 -0.09 0.00 -3.12 0.00 0.00 179.24 176.52 1yho h ALA 96 N 0.60 1.32 -0.27 3.45 0.00 -1.17 -1.75 119.26 121.44 1yho h ALA 96 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1yho h ALA 96 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yho h ALA 96 CO 0.01 0.46 -0.43 -0.07 0.00 0.00 0.00 179.25 179.23 1yho h LEU 97 N 0.44 0.84 -0.55 0.00 3.38 -0.38 -2.10 115.31 116.96 1yho h LEU 97 Ca 0.09 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1yho h LEU 97 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1yho h LEU 97 CO 0.02 1.20 0.10 0.50 0.09 0.00 0.00 178.44 180.36 1yho h LYS 98 N 0.51 0.90 -0.19 1.13 1.63 -0.97 -1.01 116.57 118.58 1yho h LYS 98 Ca 0.02 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1yho h LYS 98 Cb 1.02 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 1yho h LYS 98 CO 0.10 0.86 0.05 1.25 -3.45 0.00 0.00 179.45 178.26 1yho h LEU 99 N 0.79 0.27 -1.77 5.20 5.85 -1.32 0.16 115.31 124.49 1yho h LEU 99 Ca 0.17 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1yho h LEU 99 Cb 0.39 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1yho h LEU 99 CO 0.01 0.42 -0.16 0.74 -0.34 0.00 0.00 178.44 179.11 1yho h THR 100 N 0.12 0.68 0.00 1.05 2.02 -1.30 -2.34 112.91 113.14 1yho h THR 100 Ca 0.06 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1yho h THR 100 Cb 0.24 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1yho h THR 100 CO -0.00 0.15 -1.06 -0.08 0.37 0.00 0.00 175.52 174.90 1yho h GLU 101 N 0.00 0.00 -6.94 6.66 4.81 -0.81 -3.33 114.58 114.98 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1yho h GLU 101 Cb 0.39 0.00 0.08 0.00 0.63 0.00 0.00 28.75 29.85 1yho h GLU 101 CO 0.02 0.29 0.62 -1.14 -0.73 0.00 0.00 179.01 178.08 1yho s GLN 102 N -3.01 4.00 0.46 1.92 0.74 0.53 -4.69 119.66 119.62 1yho s GLN 102 Ca -0.00 2.18 0.20 0.00 0.05 0.00 0.00 55.36 57.78 1yho s GLN 102 Cb 0.08 -2.79 1.19 0.00 1.10 0.00 0.00 33.01 32.59 1yho s GLN 102 CO 0.79 -0.47 1.94 -1.35 -0.55 0.00 0.00 175.29 175.64 1yho h PRO 103 N 2.74 0.26 -0.82 1.67 0.11 -1.90 0.86 132.00 134.91 1yho h PRO 103 Ca -0.50 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1yho h PRO 103 Cb 1.24 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1yho h PRO 103 CO 0.63 0.17 0.54 1.49 -0.21 0.00 0.00 178.00 180.61 1yho h GLU 104 N 0.26 0.92 0.00 1.05 4.22 -1.90 -2.73 114.58 116.40 1yho h GLU 104 Ca 0.34 -0.06 -0.23 0.00 0.08 0.00 0.00 59.36 59.50 1yho h GLU 104 Cb 0.97 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1yho h GLU 104 CO -0.08 0.61 -2.14 -0.11 -2.18 0.00 0.00 179.01 175.10 1yho n LEU 105 N -4.47 0.00 0.11 1.64 7.94 -0.30 -4.36 117.00 117.56 1yho n LEU 105 Ca 0.12 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.18 1yho n LEU 105 Cb 0.18 0.31 0.70 0.00 0.53 0.00 0.00 43.42 45.14 1yho n LEU 105 CO 0.34 0.31 1.15 0.00 -1.11 0.00 0.00 177.39 178.07 1yho h ALA 106 N 1.18 2.22 0.02 1.96 0.00 0.85 0.17 119.26 125.66 1yho h ALA 106 Ca -0.34 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1yho h ALA 106 Cb 1.75 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1yho h ALA 106 CO 0.02 -0.40 -0.97 -0.91 0.00 0.00 0.00 179.25 176.98 1yho h ASN 107 N 0.00 0.10 0.29 0.00 -0.26 -1.69 -3.31 115.58 110.71 1yho h ASN 107 Ca 0.15 -0.09 -0.32 0.00 -0.56 0.00 0.00 56.30 55.48 1yho h ASN 107 Cb 0.63 -0.03 0.03 0.00 -1.06 0.00 0.00 38.32 37.89 1yho h ASN 107 CO -0.00 1.01 -1.38 0.50 -1.06 0.00 0.00 177.43 176.50 1yho h LYS 108 N 0.03 0.52 -6.61 0.81 3.64 -1.18 -3.46 116.57 110.32 1yho h LYS 108 Ca -0.03 -0.83 -0.69 0.00 -1.27 0.00 0.00 60.65 57.83 1yho h LYS 108 Cb 1.68 0.30 -0.23 0.00 -0.41 0.00 0.00 32.23 33.57 1yho h LYS 108 CO 0.14 1.39 -0.82 0.08 -2.27 0.00 0.00 179.45 177.96 1yho s VAL 109 N -2.72 2.64 -0.21 2.00 1.01 0.40 -3.70 120.40 119.82 1yho s VAL 109 Ca -0.08 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1yho s VAL 109 Cb 0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1yho s VAL 109 CO 0.93 0.35 -0.23 -0.67 0.00 0.00 0.00 175.10 175.48 1yho n ASP 110 N 1.62 1.96 -4.15 3.32 -0.08 -0.90 -4.46 116.55 113.85 1yho n ASP 110 Ca -0.16 0.09 -0.13 0.00 -1.51 0.00 0.00 54.79 53.07 1yho n ASP 110 Cb 0.52 -0.49 -0.11 0.00 2.34 0.00 0.00 41.12 43.39 1yho n ASP 110 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1yho s MET 111 N -2.40 0.78 -0.05 -0.67 -1.94 -1.26 -3.71 119.30 110.05 1yho s MET 111 Ca -0.29 -1.12 0.01 0.00 -1.71 0.00 0.00 55.69 52.58 1yho s MET 111 Cb 0.09 -0.41 -0.03 0.00 2.01 0.00 0.00 34.83 36.49 1yho s MET 111 CO 0.42 0.05 -0.06 0.08 -0.01 0.00 0.00 175.02 175.50 1yho s VAL 112 N -2.52 3.73 -0.15 -6.03 1.01 -0.91 -2.15 120.40 113.38 1yho s VAL 112 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1yho s VAL 112 Cb -0.02 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1yho s VAL 112 CO -0.01 0.55 -0.18 0.26 0.00 0.00 0.00 175.10 175.72 1yho s TRP 113 N -0.86 2.46 -0.24 5.22 0.52 0.05 -1.73 118.94 124.36 1yho s TRP 113 Ca 0.14 -1.33 -0.19 0.00 0.02 0.00 0.00 56.10 54.73 1yho s TRP 113 Cb -0.11 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1yho s TRP 113 CO 0.03 -0.66 0.56 0.42 0.02 0.00 0.00 176.95 177.32 1yho s ILE 114 N 1.15 5.04 -0.27 2.03 -1.09 -0.71 -1.30 121.20 126.06 1yho s ILE 114 Ca -0.01 1.00 0.13 0.00 -2.23 0.00 0.00 60.65 59.54 1yho s ILE 114 Cb -0.14 -3.87 0.47 0.00 -1.58 0.00 0.00 42.46 37.34 1yho s ILE 114 CO -0.07 0.08 1.16 1.33 -1.23 0.00 0.00 174.94 176.22 1yho n VAL 115 N 5.03 2.05 0.00 2.92 0.24 -0.90 -1.89 118.33 125.77 1yho n VAL 115 Ca -0.03 -3.68 0.00 0.00 -2.04 0.00 0.00 64.34 58.59 1yho n VAL 115 Cb 0.50 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.66 0.93 0.00 7.63 0.00 -1.25 -4.74 105.19 107.09 1yho n GLY 116 Ca 0.30 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 1.43 -0.40 0.31 -0.02 0.00 -1.26 -2.73 105.19 102.52 1yho n GLY 117 Ca 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 1yho n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yho h SER 118 N 0.00 0.90 -0.59 1.61 4.64 -1.99 -2.09 113.55 116.03 1yho h SER 118 Ca 0.00 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1yho h SER 118 Cb 0.00 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 1yho h SER 118 CO 0.00 0.90 0.36 0.28 -0.87 0.00 0.00 176.83 177.50 1yho h SER 119 N 0.91 0.59 -0.14 4.97 0.02 -1.99 -0.04 113.55 117.85 1yho h SER 119 Ca 0.19 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 1yho h SER 119 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1yho h SER 119 CO 0.01 0.41 -0.26 0.58 -1.14 0.00 0.00 176.83 176.42 1yho h VAL 120 N 0.71 1.27 -0.47 2.27 2.07 -1.81 -2.03 116.25 118.26 1yho h VAL 120 Ca 0.24 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1yho h VAL 120 Cb 0.02 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1yho h VAL 120 CO -0.10 0.43 -0.03 0.22 0.02 0.00 0.00 177.57 178.12 1yho h TYR 121 N 0.53 0.93 -0.36 1.57 3.20 -0.75 -2.08 116.97 120.02 1yho h TYR 121 Ca 0.07 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 1yho h TYR 121 Cb 0.73 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1yho h TYR 121 CO 0.03 0.90 -0.00 0.87 -1.64 0.00 0.00 178.16 178.31 1yho h LYS 122 N 0.70 0.63 -0.27 1.82 1.57 -0.91 0.87 116.57 120.99 1yho h LYS 122 Ca 0.13 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1yho h LYS 122 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1yho h LYS 122 CO 0.03 0.75 0.15 1.49 -0.57 0.00 0.00 179.45 181.30 1yho h GLU 123 N 0.44 0.30 0.00 3.15 4.57 -1.31 -2.36 114.58 119.37 1yho h GLU 123 Ca 0.10 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 1yho h GLU 123 Cb 0.47 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1yho h GLU 123 CO 0.02 0.20 -0.56 0.00 -1.18 0.00 0.00 179.01 177.49 1yho h ALA 124 N 1.12 1.05 0.00 2.92 0.00 -1.33 -2.81 119.26 120.21 1yho h ALA 124 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1yho h ALA 124 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yho h ALA 124 CO -0.06 0.69 0.00 0.52 0.00 0.00 0.00 179.25 180.41 1yho h MET 125 N 0.00 0.00 -0.73 0.00 2.86 -0.29 -1.76 114.93 115.01 1yho h MET 125 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1yho h MET 125 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1yho h MET 125 CO 0.07 0.00 0.05 0.09 1.06 0.00 0.00 176.91 178.18 1yho n ASN 126 N -2.55 4.32 -4.74 1.22 3.02 -1.06 -4.93 115.26 110.54 1yho n ASN 126 Ca -0.00 -2.72 -0.40 0.00 -0.03 0.00 0.00 54.58 51.43 1yho n ASN 126 Cb 0.14 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 38.62 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1yho s HIS 127 N -2.28 3.78 0.08 3.10 3.76 -0.67 -4.98 115.29 118.09 1yho s HIS 127 Ca 0.39 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 56.80 1yho s HIS 127 Cb 0.30 -2.89 -0.24 0.00 1.11 0.00 0.00 32.58 30.86 1yho s HIS 127 CO 0.11 0.28 1.16 -1.00 -0.85 0.00 0.00 174.74 174.44 1yho h PRO 128 N 5.46 0.54 -7.22 8.40 0.13 -1.91 -3.47 132.00 133.93 1yho h PRO 128 Ca -0.44 -0.70 -0.43 0.00 -0.87 0.00 0.00 66.00 63.56 1yho h PRO 128 Cb 1.21 0.22 0.20 0.00 0.13 0.00 0.00 31.00 32.76 1yho h PRO 128 CO 0.71 1.30 0.06 0.20 -0.23 0.00 0.00 178.00 180.03 1yho s GLY 129 N -4.45 1.53 0.21 1.56 0.00 -1.26 -4.65 107.32 100.27 1yho s GLY 129 Ca -0.08 -0.34 -0.32 0.00 0.00 0.00 0.00 44.72 43.98 1yho s GLY 129 CO 0.91 0.40 1.69 -1.58 0.00 0.00 0.00 173.10 174.52 1yho s HIS 130 N -2.63 2.92 -0.09 1.90 2.46 -1.26 -4.95 115.29 113.63 1yho s HIS 130 Ca 0.68 0.41 -0.07 0.00 0.47 0.00 0.00 55.06 56.55 1yho s HIS 130 Cb -0.21 -4.10 0.03 0.00 -0.13 0.00 0.00 32.58 28.16 1yho s HIS 130 CO 0.62 -4.14 0.23 -1.17 -2.47 0.00 0.00 174.74 167.81 1yho s LEU 131 N 1.07 0.92 -0.21 8.88 0.20 -1.26 -4.45 118.68 123.82 1yho s LEU 131 Ca 0.73 0.47 -0.10 0.00 0.69 0.00 0.00 54.13 55.93 1yho s LEU 131 Cb -0.49 0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 45.99 1yho s LEU 131 CO 0.33 -0.11 0.13 -0.54 -0.29 0.00 0.00 176.35 175.87 1yho s LYS 132 N 0.46 4.12 -0.17 1.98 1.02 -0.90 -1.56 119.74 124.69 1yho s LYS 132 Ca -0.03 -0.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.70 1yho s LYS 132 Cb -0.04 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1yho s LYS 132 CO -0.02 0.22 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.31 1yho s LEU 133 N 0.57 2.42 -0.18 3.17 0.20 0.22 0.78 118.68 125.86 1yho s LEU 133 Ca 0.07 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 1yho s LEU 133 Cb -0.12 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1yho s LEU 133 CO 0.00 0.04 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.72 1yho s PHE 134 N 1.10 3.03 -0.06 5.38 0.40 0.17 0.94 117.98 128.94 1yho s PHE 134 Ca 0.00 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1yho s PHE 134 Cb -0.14 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.37 1yho s PHE 134 CO -0.05 -0.17 -0.13 0.14 0.70 0.00 0.00 175.22 175.72 1yho s VAL 135 N 0.74 1.14 -0.30 -0.44 -7.23 -0.85 -1.04 120.40 112.42 1yho s VAL 135 Ca -0.01 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.56 1yho s VAL 135 Cb -0.14 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1yho s VAL 135 CO 0.02 0.35 0.17 -0.89 -0.31 0.00 0.00 175.10 174.44 1yho s THR 136 N 0.53 4.82 -0.29 5.32 2.01 -0.83 -1.68 115.64 125.53 1yho s THR 136 Ca -0.12 -0.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1yho s THR 136 Cb -0.15 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1yho s THR 136 CO 0.03 0.11 0.61 -0.13 -0.69 0.00 0.00 174.62 174.56 1yho s ARG 137 N 1.66 3.96 -0.43 4.92 1.81 -0.64 -0.27 118.95 129.97 1yho s ARG 137 Ca 0.06 0.35 -0.17 0.00 -1.72 0.00 0.00 55.73 54.24 1yho s ARG 137 Cb -0.17 -3.70 0.03 0.00 -0.45 0.00 0.00 34.95 30.66 1yho s ARG 137 CO 0.08 -0.51 0.41 0.42 -0.68 0.00 0.00 175.30 175.02 1yho s ILE 138 N 2.54 5.13 -1.16 1.52 -1.09 -0.65 -1.18 121.20 126.30 1yho s ILE 138 Ca 0.25 -0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 57.99 1yho s ILE 138 Cb -0.15 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1yho s ILE 138 CO 0.11 -0.42 1.75 -0.32 -1.23 0.00 0.00 174.94 174.82 1yho s MET 139 N 2.02 3.36 -0.29 2.79 1.75 -0.09 -1.23 119.30 127.62 1yho s MET 139 Ca 0.10 -1.40 -0.20 0.00 -1.25 0.00 0.00 55.69 52.94 1yho s MET 139 Cb -0.18 -5.37 0.16 0.00 2.84 0.00 0.00 34.83 32.28 1yho s MET 139 CO 0.12 -2.81 1.13 -1.14 -0.65 0.00 0.00 175.02 171.68 1yho s GLN 140 N 5.27 0.29 0.06 4.11 2.00 -1.26 -4.30 119.66 125.83 1yho s GLN 140 Ca 0.58 0.43 -0.31 0.00 -2.00 0.00 0.00 55.36 54.06 1yho s GLN 140 Cb 0.01 0.10 -0.06 0.00 0.80 0.00 0.00 33.01 33.86 1yho s GLN 140 CO 0.04 -0.05 1.25 0.34 -0.50 0.00 0.00 175.29 176.38 1yho s ASP 141 N 0.76 7.01 0.11 6.67 2.15 -1.26 -4.38 116.67 127.73 1yho s ASP 141 Ca -0.03 2.07 -0.13 0.00 0.43 0.00 0.00 52.55 54.89 1yho s ASP 141 Cb -0.04 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1yho s ASP 141 CO -0.12 -0.53 0.32 -0.36 -0.17 0.00 0.00 175.17 174.31 1yho s PHE 142 N 1.25 -0.04 -0.24 -5.34 0.08 -1.26 -5.10 117.98 107.32 1yho s PHE 142 Ca 0.60 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 57.16 1yho s PHE 142 Cb -0.31 0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 1yho s PHE 142 CO 0.29 -0.65 0.43 -2.00 -0.10 0.00 0.00 175.22 173.19 1yho s GLU 143 N -3.83 4.10 0.08 0.44 2.12 -1.26 -4.94 118.70 115.40 1yho s GLU 143 Ca 0.04 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.62 1yho s GLU 143 Cb 0.03 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1yho s GLU 143 CO -0.11 -0.21 -0.11 -1.12 -0.54 0.00 0.00 175.26 173.17 1yho s SER 144 N 1.38 1.45 -0.20 -1.70 0.01 -1.26 -4.68 113.70 108.70 1yho s SER 144 Ca 0.19 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1yho s SER 144 Cb -0.15 -0.01 -0.12 0.00 0.21 0.00 0.00 66.02 65.95 1yho s SER 144 CO 0.09 -0.17 -0.21 -0.67 0.41 0.00 0.00 173.24 172.69 1yho n ASP 145 N 1.01 2.15 -4.59 2.44 2.03 -1.26 -4.92 116.55 113.41 1yho n ASP 145 Ca -0.19 0.01 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 1yho n ASP 145 Cb 0.56 -0.41 -0.08 0.00 -0.72 0.00 0.00 41.12 40.46 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1yho s THR 146 N -2.39 5.10 0.05 5.18 2.01 -1.24 -5.07 115.64 119.28 1yho s THR 146 Ca -0.28 0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1yho s THR 146 Cb 0.08 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1yho s THR 146 CO 0.43 0.00 0.25 -0.36 -0.69 0.00 0.00 174.62 174.25 1yho s PHE 147 N 2.22 3.53 -0.14 4.92 0.08 -1.26 -3.03 117.98 124.31 1yho s PHE 147 Ca 0.17 0.40 -0.15 0.00 0.12 0.00 0.00 56.93 57.48 1yho s PHE 147 Cb -0.16 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1yho s PHE 147 CO 0.11 0.58 0.36 0.12 -0.10 0.00 0.00 175.22 176.29 1yho s PHE 148 N -1.45 3.50 0.34 0.36 2.19 0.48 -4.98 117.98 118.42 1yho s PHE 148 Ca 0.33 0.72 -0.27 0.00 0.33 0.00 0.00 56.93 58.03 1yho s PHE 148 Cb -0.13 -2.40 -0.12 0.00 -1.31 0.00 0.00 43.02 39.06 1yho s PHE 148 CO 0.23 0.25 1.16 -2.30 1.83 0.00 0.00 175.22 176.39 1yho n PRO 149 N 3.47 1.77 -2.15 10.12 -0.02 -1.26 -4.91 135.00 142.02 1yho n PRO 149 Ca -0.10 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1yho n PRO 149 Cb 0.52 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1yho n PRO 149 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1yho s GLU 150 N -1.83 4.33 -0.02 -0.52 2.12 -1.26 -4.97 118.70 116.55 1yho s GLU 150 Ca 0.58 2.11 -0.30 0.00 0.36 0.00 0.00 54.97 57.72 1yho s GLU 150 Cb -0.60 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1yho s GLU 150 CO 0.60 -0.40 1.22 0.42 -0.54 0.00 0.00 175.26 176.57 1yho s ILE 151 N 0.73 4.15 -0.16 -3.70 1.01 -1.26 -4.98 121.20 116.99 1yho s ILE 151 Ca 0.62 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 1yho s ILE 151 Cb -0.38 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1yho s ILE 151 CO 0.34 0.03 1.25 -1.81 0.00 0.00 0.00 174.94 174.75 1yho s ASP 152 N 1.42 6.96 0.43 3.58 1.01 -1.26 -4.90 116.67 123.90 1yho s ASP 152 Ca 0.57 1.69 0.20 0.00 0.71 0.00 0.00 52.55 55.72 1yho s ASP 152 Cb -0.26 -2.54 1.00 0.00 1.01 0.00 0.00 42.92 42.12 1yho s ASP 152 CO 0.24 -0.75 1.91 -0.07 0.21 0.00 0.00 175.17 176.71 1yho h LEU 153 N 9.62 0.00 -1.24 1.23 3.38 -1.94 0.70 115.31 127.05 1yho h LEU 153 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1yho h LEU 153 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1yho h LEU 153 CO 0.96 0.26 -0.15 -0.33 0.09 0.00 0.00 178.44 179.28 1yho h GLU 154 N 0.00 0.33 0.00 1.13 5.08 -2.01 -3.21 114.58 115.90 1yho h GLU 154 Ca -0.00 -0.09 -0.35 0.00 -1.00 0.00 0.00 59.36 57.92 1yho h GLU 154 Cb 0.57 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1yho h GLU 154 CO 0.03 0.49 -2.30 1.17 -1.00 0.00 0.00 179.01 177.40 1yho n LYS 155 N -4.22 0.85 -4.31 2.33 4.81 -0.99 -4.96 118.16 111.67 1yho n LYS 155 Ca -0.00 0.03 -0.34 0.00 -0.87 0.00 0.00 58.31 57.13 1yho n LYS 155 Cb 0.31 -1.48 -0.09 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.46 3.13 -0.26 5.64 1.51 0.24 -2.24 117.35 122.91 1yho s TYR 156 Ca -0.15 0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 55.95 1yho s TYR 156 Cb 0.06 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1yho s TYR 156 CO 0.71 0.47 0.15 0.21 -1.11 0.00 0.00 175.55 175.99 1yho s LYS 157 N -1.26 3.90 -0.29 -0.62 2.36 0.20 -4.12 119.74 119.91 1yho s LYS 157 Ca 0.17 -0.35 -0.29 0.00 -2.55 0.00 0.00 55.97 52.95 1yho s LYS 157 Cb -0.11 -3.55 -0.01 0.00 -1.05 0.00 0.00 37.83 33.11 1yho s LYS 157 CO 0.07 -0.13 1.40 -1.17 1.55 0.00 0.00 175.35 177.07 1yho s LEU 158 N 1.58 3.85 -0.60 5.43 0.20 -1.26 -1.93 118.68 125.95 1yho s LEU 158 Ca 0.07 1.29 -0.01 0.00 0.69 0.00 0.00 54.13 56.17 1yho s LEU 158 Cb -0.15 -3.54 0.15 0.00 -0.43 0.00 0.00 46.19 42.22 1yho s LEU 158 CO 0.08 -1.17 0.40 -0.76 -0.29 0.00 0.00 176.35 174.61 1yho s LEU 159 N 4.73 4.98 0.07 -0.68 1.02 0.14 -4.98 118.68 123.96 1yho s LEU 159 Ca 0.61 -2.92 -0.33 0.00 0.02 0.00 0.00 54.13 51.51 1yho s LEU 159 Cb -0.19 -1.79 -0.16 0.00 0.02 0.00 0.00 46.19 44.07 1yho s LEU 159 CO 0.26 -0.32 1.51 -0.65 0.02 0.00 0.00 176.35 177.16 1yho h PRO 160 N 6.85 -0.93 -4.95 1.29 0.11 -1.93 -2.07 132.00 130.37 1yho h PRO 160 Ca -0.03 0.06 -0.65 0.00 0.11 0.00 0.00 66.00 65.50 1yho h PRO 160 Cb 0.93 0.21 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 1yho h PRO 160 CO 0.71 -0.62 -0.60 -1.21 -0.21 0.00 0.00 178.00 176.06 1yho s GLU 161 N -5.61 3.73 -0.02 1.05 2.02 -1.26 -4.51 118.70 114.10 1yho s GLU 161 Ca -0.16 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1yho s GLU 161 Cb 0.04 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 1yho s GLU 161 CO 0.55 -0.17 -0.21 -0.47 0.02 0.00 0.00 175.26 174.97 1yho s TYR 162 N 1.60 1.94 0.34 1.61 6.14 -1.26 -5.06 117.35 122.66 1yho s TYR 162 Ca 0.06 -0.40 -0.29 0.00 0.64 0.00 0.00 57.07 57.08 1yho s TYR 162 Cb -0.15 -1.25 -0.11 0.00 0.42 0.00 0.00 41.96 40.87 1yho s TYR 162 CO 0.05 -0.06 1.39 -1.25 0.64 0.00 0.00 175.55 176.32 1yho s PRO 163 N -0.42 4.25 0.00 4.97 0.04 -1.26 -2.74 135.00 139.84 1yho s PRO 163 Ca 0.06 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1yho s PRO 163 Cb -0.09 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1yho s PRO 163 CO -0.00 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1yho n GLY 164 N 0.81 2.97 3.59 0.56 0.00 -1.26 -5.02 105.19 106.84 1yho n GLY 164 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.42 3.65 0.45 1.61 0.11 -1.11 -5.10 120.40 117.59 1yho s VAL 165 Ca 0.00 -0.75 -0.23 0.00 -2.93 0.00 0.00 61.98 58.06 1yho s VAL 165 Cb 0.00 -2.58 -0.07 0.00 -1.53 0.00 0.00 36.38 32.20 1yho s VAL 165 CO 0.00 0.41 1.19 -0.76 -3.33 0.00 0.00 175.10 172.61 1yho s LEU 166 N -1.37 4.05 -0.10 2.54 1.43 -1.26 -4.61 118.68 119.36 1yho s LEU 166 Ca 0.17 2.37 0.14 0.00 -1.03 0.00 0.00 54.13 55.78 1yho s LEU 166 Cb -0.11 -4.18 -0.20 0.00 0.03 0.00 0.00 46.19 41.73 1yho s LEU 166 CO 0.07 -0.92 0.16 -1.54 0.23 0.00 0.00 176.35 174.35 1yho n SER 167 N -0.38 1.42 -4.76 2.29 3.41 -1.26 -4.71 113.62 109.62 1yho n SER 167 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.29 1yho n SER 167 Cb 0.47 1.17 0.02 0.00 -0.26 0.00 0.00 64.21 65.61 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1yho s ASP 168 N -4.43 5.62 0.13 4.04 1.11 -1.26 -4.73 116.67 117.14 1yho s ASP 168 Ca -0.07 2.71 -0.30 0.00 0.18 0.00 0.00 52.55 55.07 1yho s ASP 168 Cb 0.06 -2.63 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 1yho s ASP 168 CO 0.62 -1.33 1.19 -0.69 1.18 0.00 0.00 175.17 176.13 1yho s VAL 169 N -1.32 3.79 0.24 -1.27 1.01 -1.26 -4.79 120.40 116.79 1yho s VAL 169 Ca 0.67 1.41 0.02 0.00 0.00 0.00 0.00 61.98 64.08 1yho s VAL 169 Cb -0.39 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1yho s VAL 169 CO 0.47 0.18 0.39 -1.10 0.00 0.00 0.00 175.10 175.05 1yho s GLN 170 N 0.31 3.47 -0.04 2.72 -0.21 -0.76 -4.93 119.66 120.22 1yho s GLN 170 Ca 0.55 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 55.39 1yho s GLN 170 Cb -0.31 -2.84 0.03 0.00 1.00 0.00 0.00 33.01 30.89 1yho s GLN 170 CO 0.33 0.38 0.03 -2.00 -2.12 0.00 0.00 175.29 171.91 1yho s GLU 171 N -3.74 0.10 -0.04 2.91 -6.30 -1.26 -1.84 118.70 108.53 1yho s GLU 171 Ca 0.37 0.24 -0.02 0.00 -2.50 0.00 0.00 54.97 53.06 1yho s GLU 171 Cb -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 34.13 33.55 1yho s GLU 171 CO 0.30 -0.25 0.09 -2.00 0.02 0.00 0.00 175.26 173.42 1yho s GLU 172 N 1.67 0.01 -1.75 4.30 -6.30 -0.39 -4.83 118.70 111.40 1yho s GLU 172 Ca -0.01 0.31 -0.01 0.00 -2.50 0.00 0.00 54.97 52.76 1yho s GLU 172 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 34.13 33.74 1yho s GLU 172 CO -0.03 -0.20 0.13 1.17 0.02 0.00 0.00 175.26 176.35 1yho n LYS 173 N 4.44 -2.36 -1.06 4.30 3.00 -1.26 -1.12 118.16 124.11 1yho n LYS 173 Ca -0.22 1.00 -0.02 0.00 -0.00 0.00 0.00 58.31 59.07 1yho n LYS 173 Cb 0.51 -5.71 -0.01 0.00 0.00 0.00 0.00 35.03 29.82 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yho n GLY 174 N -1.13 0.55 3.21 3.14 0.00 -1.26 -5.02 105.19 104.67 1yho n GLY 174 Ca -0.22 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.05 2.69 -0.14 -0.61 1.01 -0.28 -5.11 121.20 116.73 1yho s ILE 175 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1yho s ILE 175 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1yho s ILE 175 CO 0.00 0.44 0.14 -0.54 0.00 0.00 0.00 174.94 174.98 1yho s LYS 176 N 1.37 3.59 0.06 2.79 1.02 -1.26 -1.26 119.74 126.05 1yho s LYS 176 Ca 0.05 -0.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 1yho s LYS 176 Cb -0.14 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1yho s LYS 176 CO -0.08 0.68 0.43 1.52 -0.92 0.00 0.00 175.35 176.97 1yho s TYR 177 N -0.73 -0.28 0.19 3.18 1.13 -0.77 -0.91 117.35 119.16 1yho s TYR 177 Ca 0.13 0.19 0.10 0.00 -1.41 0.00 0.00 57.07 56.08 1yho s TYR 177 Cb -0.12 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 1yho s TYR 177 CO 0.03 -0.61 -0.21 0.21 -2.51 0.00 0.00 175.55 172.45 1yho s LYS 178 N -2.78 1.43 -0.15 -3.49 2.36 -0.33 -1.83 119.74 114.95 1yho s LYS 178 Ca -0.03 -1.51 -0.09 0.00 -2.55 0.00 0.00 55.97 51.79 1yho s LYS 178 Cb -0.00 -1.61 -0.05 0.00 -1.05 0.00 0.00 37.83 35.12 1yho s LYS 178 CO -0.05 0.33 0.16 0.12 1.55 0.00 0.00 175.35 177.47 1yho s PHE 179 N -1.94 3.51 0.01 4.03 5.36 -1.26 -1.62 117.98 126.07 1yho s PHE 179 Ca 0.20 0.47 0.06 0.00 -0.96 0.00 0.00 56.93 56.70 1yho s PHE 179 Cb -0.07 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 1yho s PHE 179 CO 0.09 0.50 -0.18 -1.21 -1.46 0.00 0.00 175.22 172.96 1yho s GLU 180 N -0.31 1.35 -0.09 10.12 2.02 -0.68 -4.92 118.70 126.19 1yho s GLU 180 Ca 0.12 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1yho s GLU 180 Cb -0.12 -1.36 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 1yho s GLU 180 CO 0.02 0.36 -0.12 0.08 0.02 0.00 0.00 175.26 175.62 1yho s VAL 181 N -0.60 3.21 -0.03 2.63 1.01 -0.78 -2.01 120.40 123.84 1yho s VAL 181 Ca 0.06 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1yho s VAL 181 Cb -0.08 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1yho s VAL 181 CO 0.00 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.17 1yho s TYR 182 N -0.20 1.73 0.08 5.22 2.02 0.27 0.24 117.35 126.71 1yho s TYR 182 Ca 0.01 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.38 1yho s TYR 182 Cb -0.13 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1yho s TYR 182 CO 0.03 -0.10 -0.25 -1.21 -1.57 0.00 0.00 175.55 172.45 1yho s GLU 183 N -0.19 1.48 -0.24 -0.62 2.02 -0.81 0.73 118.70 121.06 1yho s GLU 183 Ca 0.01 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 53.74 1yho s GLU 183 Cb -0.10 -1.76 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 1yho s GLU 183 CO 0.01 0.44 0.15 0.21 0.02 0.00 0.00 175.26 176.08 1yho s LYS 184 N -1.60 3.98 -0.03 1.61 2.20 -0.60 0.59 119.74 125.89 1yho s LYS 184 Ca 0.11 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1yho s LYS 184 Cb -0.10 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1yho s LYS 184 CO 0.04 -0.01 0.27 1.21 -0.36 0.00 0.00 175.35 176.50 1yho s ASN 185 N 1.23 6.55 0.00 1.43 3.84 -0.95 -4.27 114.94 122.77 1yho s ASN 185 Ca 0.07 0.65 0.31 0.00 0.21 0.00 0.00 52.86 54.10 1yho s ASN 185 Cb -0.14 -2.13 1.84 0.00 -0.55 0.00 0.00 41.25 40.26 1yho s ASN 185 CO 0.06 0.32 2.16 0.47 -2.79 0.00 0.00 177.10 177.32