#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 0.93 3.50 7.63 0.00 -1.26 -5.05 105.19 110.94 1yho n GLY 2 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.62 6.18 -0.12 1.61 0.01 -1.26 -4.87 113.70 112.62 1yho s SER 3 Ca 0.00 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 1yho s SER 3 Cb 0.00 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1yho s SER 3 CO 0.00 -0.50 -0.05 -0.76 0.41 0.00 0.00 173.24 172.34 1yho s LEU 4 N 2.04 3.21 0.13 2.44 1.02 -1.26 -2.08 118.68 124.18 1yho s LEU 4 Ca 0.11 -0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.23 1yho s LEU 4 Cb -0.17 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 1yho s LEU 4 CO 0.13 0.24 -0.14 0.21 0.02 0.00 0.00 176.35 176.80 1yho s ASN 5 N -0.07 2.07 0.01 2.29 2.47 0.96 -2.06 114.94 120.61 1yho s ASN 5 Ca 0.01 -0.82 0.01 0.00 0.42 0.00 0.00 52.86 52.48 1yho s ASN 5 Cb -0.13 -0.08 -0.01 0.00 -1.45 0.00 0.00 41.25 39.58 1yho s ASN 5 CO 0.03 -0.14 -0.03 0.00 -3.72 0.00 0.00 177.10 173.23 1yho s ILE 7 N -0.64 -0.58 0.00 0.00 2.07 -0.73 0.98 121.20 122.30 1yho s ILE 7 Ca -0.05 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1yho s ILE 7 Cb -0.05 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.87 1yho s ILE 7 CO -0.00 0.01 0.09 0.68 -1.91 0.00 0.00 174.94 173.80 1yho s VAL 8 N 2.54 0.08 -0.16 4.00 -7.23 -0.06 -4.49 120.40 115.09 1yho s VAL 8 Ca 0.04 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 1yho s VAL 8 Cb -0.13 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.41 1yho s VAL 8 CO -0.13 -0.37 0.24 0.00 -0.31 0.00 0.00 175.10 174.54 1yho s ALA 9 N -1.24 3.64 0.08 1.32 0.00 -1.26 -1.87 121.76 122.43 1yho s ALA 9 Ca -0.13 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1yho s ALA 9 Cb -0.07 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1yho s ALA 9 CO 0.01 0.15 -0.15 0.14 0.00 0.00 0.00 175.76 175.91 1yho s VAL 10 N 0.32 1.19 0.69 0.00 -7.23 0.11 -4.66 120.40 110.81 1yho s VAL 10 Ca 0.14 -1.37 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 1yho s VAL 10 Cb -0.12 -1.17 0.04 0.00 0.56 0.00 0.00 36.38 35.68 1yho s VAL 10 CO 0.02 -0.23 1.03 -0.94 -0.31 0.00 0.00 175.10 174.68 1yho s SER 11 N -1.83 5.16 0.64 4.85 1.04 0.23 -0.99 113.70 122.80 1yho s SER 11 Ca -0.00 0.76 0.38 0.00 0.48 0.00 0.00 55.95 57.57 1yho s SER 11 Cb -0.09 -1.52 2.17 0.00 0.10 0.00 0.00 66.02 66.67 1yho s SER 11 CO 0.03 -1.42 2.32 -0.61 0.98 0.00 0.00 173.24 174.53 1yho h GLN 12 N -0.56 0.00 -0.81 4.02 4.15 -1.38 -0.21 115.11 120.32 1yho h GLN 12 Ca -0.45 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 58.79 1yho h GLN 12 Cb 1.28 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.87 1yho h GLN 12 CO 0.62 0.00 0.22 -1.71 -1.93 0.00 0.00 178.83 176.04 1yho n ASN 13 N -3.41 4.30 -2.13 -0.69 2.85 -1.26 -4.87 115.26 110.05 1yho n ASN 13 Ca -0.03 -2.97 -0.18 0.00 -0.11 0.00 0.00 54.58 51.28 1yho n ASN 13 Cb 0.08 -0.70 -0.00 0.00 1.24 0.00 0.00 39.78 40.40 1yho n ASN 13 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1yho n MET 14 N -0.06 -1.84 -3.61 1.20 2.81 -0.09 -4.87 117.12 110.66 1yho n MET 14 Ca 0.33 0.86 -0.35 0.00 -1.81 0.00 0.00 57.70 56.73 1yho n MET 14 Cb 1.19 -5.37 -0.05 0.00 -0.71 0.00 0.00 33.22 28.28 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 -2.27 2.33 -0.08 3.03 0.00 -1.23 0.11 107.32 109.20 1yho s GLY 15 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.35 1yho s GLY 15 CO 0.05 -0.20 -0.08 0.29 0.00 0.00 0.00 173.10 173.16 1yho n ILE 16 N 0.94 0.47 -3.65 0.90 -5.35 -1.02 0.77 119.36 112.41 1yho n ILE 16 Ca -0.09 -0.17 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 1yho n ILE 16 Cb 0.52 -0.89 -0.06 0.00 -1.74 0.00 0.00 39.64 37.47 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 -4.84 0.31 -0.17 3.28 0.00 -1.26 -4.67 107.32 99.98 1yho s GLY 17 Ca -0.11 3.36 -0.05 0.00 0.00 0.00 0.00 44.72 47.91 1yho s GLY 17 CO 0.18 1.62 0.01 -1.59 0.00 0.00 0.00 173.10 173.32 1yho s LYS 18 N -0.40 3.81 -1.65 2.90 -2.85 0.29 -2.60 119.74 119.24 1yho s LYS 18 Ca 0.09 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1yho s LYS 18 Cb -0.03 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 1yho s LYS 18 CO -0.14 0.25 0.00 0.09 0.10 0.00 0.00 175.35 175.65 1yho n ASN 19 N 3.56 -5.55 -0.31 0.03 4.13 -1.26 -1.47 115.26 114.39 1yho n ASN 19 Ca -0.17 -0.02 -0.04 0.00 1.68 0.00 0.00 54.58 56.03 1yho n ASN 19 Cb 0.52 -4.59 -0.02 0.00 -1.54 0.00 0.00 39.78 34.16 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 -1.02 0.66 3.07 7.41 0.00 -1.26 -5.03 105.19 109.02 1yho n GLY 20 Ca -0.23 -0.88 -0.10 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 -2.95 0.17 0.36 1.61 2.15 -0.54 -4.89 116.67 112.58 1yho s ASP 21 Ca 0.00 -0.46 -0.28 0.00 0.43 0.00 0.00 52.55 52.24 1yho s ASP 21 Cb 0.00 0.18 -0.10 0.00 -0.30 0.00 0.00 42.92 42.71 1yho s ASP 21 CO 0.00 -0.42 1.31 -0.76 -0.17 0.00 0.00 175.17 175.13 1yho s LEU 22 N -1.79 4.34 0.08 -1.34 1.43 -1.26 0.10 118.68 120.24 1yho s LEU 22 Ca -0.10 2.68 -0.15 0.00 -1.03 0.00 0.00 54.13 55.53 1yho s LEU 22 Cb -0.05 -3.75 -0.17 0.00 0.03 0.00 0.00 46.19 42.25 1yho s LEU 22 CO -0.02 -0.66 1.27 1.55 0.23 0.00 0.00 176.35 178.72 1yho h PRO 23 N 3.10 0.69 -7.09 1.29 0.13 -1.85 -3.45 132.00 124.82 1yho h PRO 23 Ca -0.49 -0.57 -0.48 0.00 -0.87 0.00 0.00 66.00 63.59 1yho h PRO 23 Cb 1.23 0.12 0.03 0.00 0.13 0.00 0.00 31.00 32.52 1yho h PRO 23 CO 0.64 1.19 0.39 1.67 -0.23 0.00 0.00 178.00 181.66 1yho s TRP 24 N -3.69 2.97 1.21 1.56 -2.14 -1.26 -4.96 118.94 112.63 1yho s TRP 24 Ca -0.11 1.56 -0.16 0.00 2.66 0.00 0.00 56.10 60.06 1yho s TRP 24 Cb 0.07 -3.08 0.29 0.00 -3.10 0.00 0.00 33.47 27.66 1yho s TRP 24 CO 0.88 -0.93 1.02 -1.25 -2.66 0.00 0.00 176.95 174.01 1yho s PRO 25 N -3.36 -1.29 -0.12 3.25 0.04 -1.26 -4.86 135.00 127.40 1yho s PRO 25 Ca 0.67 0.51 -0.34 0.00 0.04 0.00 0.00 61.00 61.88 1yho s PRO 25 Cb -0.17 -1.54 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 1yho s PRO 25 CO 0.23 -3.88 1.95 -0.35 0.04 0.00 0.00 177.00 174.98 1yho n PRO 26 N -4.98 2.10 -3.57 0.56 -0.04 -1.26 -4.95 135.00 122.85 1yho n PRO 26 Ca 0.06 0.74 -0.41 0.00 -0.04 0.00 0.00 63.50 63.86 1yho n PRO 26 Cb 0.57 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.22 1yho n PRO 26 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1yho s LEU 27 N 4.80 4.67 0.19 1.53 2.96 -1.26 -4.95 118.68 126.61 1yho s LEU 27 Ca 0.95 -0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1yho s LEU 27 Cb -0.66 -2.06 0.12 0.00 0.50 0.00 0.00 46.19 44.08 1yho s LEU 27 CO 0.50 -0.35 1.57 0.03 -1.32 0.00 0.00 176.35 176.78 1yho h ARG 28 N 8.47 0.78 -0.50 1.98 2.47 -1.98 -1.53 114.38 124.06 1yho h ARG 28 Ca -0.28 -0.36 -0.13 0.00 -1.26 0.00 0.00 59.98 57.95 1yho h ARG 28 Cb 1.12 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 1yho h ARG 28 CO 0.67 0.99 -0.19 -0.97 0.56 0.00 0.00 179.97 181.03 1yho h ASN 29 N 0.66 1.02 -0.41 7.04 -1.24 -1.98 0.53 115.58 121.20 1yho h ASN 29 Ca 0.07 -0.38 -0.12 0.00 0.71 0.00 0.00 56.30 56.58 1yho h ASN 29 Cb 0.86 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1yho h ASN 29 CO 0.07 1.17 -0.22 -0.08 -1.29 0.00 0.00 177.43 177.09 1yho h GLU 30 N 0.87 0.87 -0.17 6.67 4.81 -1.96 -0.09 114.58 125.57 1yho h GLU 30 Ca 0.12 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1yho h GLU 30 Cb 0.77 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1yho h GLU 30 CO 0.06 1.03 -0.17 0.74 -0.73 0.00 0.00 179.01 179.94 1yho h PHE 31 N 0.68 0.51 -0.29 0.92 -1.00 -1.21 -1.25 116.94 115.30 1yho h PHE 31 Ca 0.09 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 1yho h PHE 31 Cb 0.79 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1yho h PHE 31 CO 0.06 0.80 0.09 0.00 -1.61 0.00 0.00 178.31 177.65 1yho h ARG 32 N 0.07 0.46 -0.18 1.51 3.08 -0.89 -1.04 114.38 117.38 1yho h ARG 32 Ca 0.03 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1yho h ARG 32 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1yho h ARG 32 CO 0.04 0.51 -0.13 -0.92 -1.07 0.00 0.00 179.97 178.40 1yho h TYR 33 N 0.32 0.30 -0.23 3.04 3.20 -1.04 -1.25 116.97 121.31 1yho h TYR 33 Ca 0.10 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 1yho h TYR 33 Cb 0.24 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1yho h TYR 33 CO 0.00 0.41 -0.58 0.35 -1.64 0.00 0.00 178.16 176.71 1yho h PHE 34 N 0.27 0.93 0.10 -3.82 3.04 -0.90 -1.38 116.94 115.19 1yho h PHE 34 Ca 0.06 -0.34 -0.01 0.00 3.98 0.00 0.00 57.97 61.66 1yho h PHE 34 Cb 0.40 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1yho h PHE 34 CO 0.01 1.14 -0.05 1.96 -2.02 0.00 0.00 178.31 179.35 1yho h GLN 35 N 0.55 -0.13 -0.08 1.11 1.08 -0.83 -2.46 115.11 114.35 1yho h GLN 35 Ca 0.00 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1yho h GLN 35 Cb 1.17 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1yho h GLN 35 CO 0.12 0.30 -0.09 0.07 -0.95 0.00 0.00 178.83 178.28 1yho h ARG 36 N -0.62 0.12 0.30 1.46 0.11 -1.31 -0.01 114.38 114.43 1yho h ARG 36 Ca -0.01 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 1yho h ARG 36 Cb 0.49 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1yho h ARG 36 CO 0.02 0.22 -0.15 1.98 0.10 0.00 0.00 179.97 182.15 1yho h MET 37 N 0.11 -0.39 -0.05 0.08 4.05 -1.21 -0.52 114.93 117.00 1yho h MET 37 Ca 0.03 0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 1yho h MET 37 Cb 0.24 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1yho h MET 37 CO 0.01 -0.09 -0.33 1.79 0.23 0.00 0.00 176.91 178.52 1yho h THR 38 N -0.70 1.26 -0.41 -0.77 1.35 -1.27 -2.89 112.91 109.47 1yho h THR 38 Ca -0.04 -1.23 -0.15 0.00 -0.55 0.00 0.00 66.41 64.44 1yho h THR 38 Cb 0.48 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1yho h THR 38 CO 0.07 0.36 -0.35 0.74 -0.25 0.00 0.00 175.52 176.09 1yho h THR 39 N 0.09 1.27 -1.29 6.82 2.02 -0.93 -3.40 112.91 117.49 1yho h THR 39 Ca 0.01 -1.52 -0.37 0.00 0.77 0.00 0.00 66.41 65.30 1yho h THR 39 Cb 0.64 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1yho h THR 39 CO 0.05 0.51 1.01 0.42 0.37 0.00 0.00 175.52 177.88 1yho s THR 40 N -4.46 3.34 0.05 3.16 -4.23 -0.21 -4.95 115.64 108.34 1yho s THR 40 Ca -0.11 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1yho s THR 40 Cb 0.11 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1yho s THR 40 CO 0.88 -0.79 0.10 -0.94 -0.54 0.00 0.00 174.62 173.33 1yho s SER 41 N 8.62 5.70 0.06 3.99 1.04 -1.26 -4.96 113.70 126.89 1yho s SER 41 Ca 0.73 0.08 0.05 0.00 0.48 0.00 0.00 55.95 57.29 1yho s SER 41 Cb -0.10 -1.60 -0.23 0.00 0.10 0.00 0.00 66.02 64.18 1yho s SER 41 CO 0.11 0.20 1.08 0.28 0.98 0.00 0.00 173.24 175.89 1yho h SER 42 N 3.52 0.11 -3.66 7.02 0.02 -1.98 -3.44 113.55 115.14 1yho h SER 42 Ca -0.47 -0.14 -0.62 0.00 -0.84 0.00 0.00 61.79 59.72 1yho h SER 42 Cb 1.17 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 1yho h SER 42 CO 0.66 1.11 -0.23 -0.69 -1.14 0.00 0.00 176.83 176.54 1yho s VAL 43 N -2.67 5.18 0.22 2.27 1.01 -1.26 -5.07 120.40 120.08 1yho s VAL 43 Ca -0.02 0.59 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1yho s VAL 43 Cb 0.09 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 1yho s VAL 43 CO 0.83 0.18 0.69 -1.61 0.00 0.00 0.00 175.10 175.20 1yho s GLU 44 N 1.87 4.18 0.00 2.72 8.01 -1.26 -3.92 118.70 130.30 1yho s GLU 44 Ca 0.16 0.78 0.00 0.00 0.01 0.00 0.00 54.97 55.92 1yho s GLU 44 Cb -0.15 -2.86 0.00 0.00 -4.31 0.00 0.00 34.13 26.81 1yho s GLU 44 CO 0.09 0.39 0.00 0.41 0.01 0.00 0.00 175.26 176.16 1yho n GLY 45 N 0.65 0.53 3.20 -1.39 0.00 -1.26 -5.04 105.19 101.88 1yho n GLY 45 Ca -0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.74 0.92 0.24 1.61 1.02 -1.25 -5.10 119.74 116.44 1yho s LYS 46 Ca 0.00 -1.38 0.10 0.00 0.02 0.00 0.00 55.97 54.71 1yho s LYS 46 Cb 0.00 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1yho s LYS 46 CO 0.00 -0.01 -0.08 -0.65 -0.92 0.00 0.00 175.35 173.69 1yho s GLN 47 N -3.82 2.05 -0.07 1.68 -1.52 -1.19 -5.01 119.66 111.79 1yho s GLN 47 Ca 0.14 -1.46 -0.02 0.00 -1.95 0.00 0.00 55.36 52.07 1yho s GLN 47 Cb 0.05 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.75 1yho s GLN 47 CO -0.03 0.38 0.03 -0.80 -0.25 0.00 0.00 175.29 174.62 1yho s ASN 48 N -3.36 5.44 -0.19 5.90 -0.87 -1.26 -3.35 114.94 117.24 1yho s ASN 48 Ca 0.29 0.17 -0.05 0.00 -1.57 0.00 0.00 52.86 51.69 1yho s ASN 48 Cb -0.07 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1yho s ASN 48 CO 0.17 0.35 0.01 -0.22 -2.57 0.00 0.00 177.10 174.85 1yho s LEU 49 N -1.12 3.40 0.10 0.60 0.20 -0.94 -1.96 118.68 118.96 1yho s LEU 49 Ca 0.16 -0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.91 1yho s LEU 49 Cb -0.12 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1yho s LEU 49 CO 0.05 0.10 -0.02 0.68 -0.29 0.00 0.00 176.35 176.88 1yho s VAL 50 N 0.76 3.87 -0.16 1.68 -7.23 0.52 -1.34 120.40 118.49 1yho s VAL 50 Ca 0.01 -1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1yho s VAL 50 Cb -0.14 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1yho s VAL 50 CO 0.02 0.09 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.23 1yho s ILE 51 N -1.34 3.71 0.19 -0.62 1.01 -0.65 -0.59 121.20 122.91 1yho s ILE 51 Ca 0.25 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.58 1yho s ILE 51 Cb -0.11 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1yho s ILE 51 CO 0.18 0.48 -0.19 -0.04 0.00 0.00 0.00 174.94 175.36 1yho s MET 52 N 0.57 1.39 0.48 2.79 -1.94 0.23 -2.00 119.30 120.83 1yho s MET 52 Ca -0.03 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 52.50 1yho s MET 52 Cb -0.15 -1.48 0.03 0.00 2.01 0.00 0.00 34.83 35.24 1yho s MET 52 CO 0.03 0.30 0.66 0.20 -0.01 0.00 0.00 175.02 176.20 1yho s GLY 53 N -2.84 1.89 0.16 -0.03 0.00 -1.16 -1.89 107.32 103.45 1yho s GLY 53 Ca 0.19 -1.60 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 1yho s GLY 53 CO 0.08 -1.36 1.81 0.50 0.00 0.00 0.00 173.10 174.13 1yho h LYS 54 N 0.39 0.51 -0.19 2.90 1.57 -1.95 0.21 116.57 120.01 1yho h LYS 54 Ca -0.40 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1yho h LYS 54 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1yho h LYS 54 CO 0.47 0.34 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.40 1yho h LYS 55 N 0.53 0.38 -0.46 3.15 1.63 -1.96 -2.43 116.57 117.40 1yho h LYS 55 Ca 0.16 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1yho h LYS 55 Cb -0.02 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1yho h LYS 55 CO -0.06 0.65 0.30 1.15 -3.45 0.00 0.00 179.45 178.04 1yho h THR 56 N 0.09 1.13 0.02 1.00 2.02 -1.86 0.19 112.91 115.51 1yho h THR 56 Ca 0.05 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1yho h THR 56 Cb 0.52 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1yho h THR 56 CO 0.02 0.13 -0.11 -0.25 0.37 0.00 0.00 175.52 175.69 1yho h TRP 57 N 0.62 -0.27 0.00 3.16 2.91 -0.57 -0.90 115.95 120.91 1yho h TRP 57 Ca 0.17 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 1yho h TRP 57 Cb -0.04 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1yho h TRP 57 CO -0.04 -0.16 0.00 0.74 -1.03 0.00 0.00 178.44 177.95 1yho h PHE 58 N -0.19 0.00 0.00 2.65 -1.00 -1.26 -2.79 116.94 114.35 1yho h PHE 58 Ca 0.03 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.66 1yho h PHE 58 Cb 0.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1yho h PHE 58 CO -0.16 0.00 -0.78 0.77 -1.61 0.00 0.00 178.31 176.53 1yho h SER 59 N 0.00 0.00 -2.86 2.17 0.02 0.42 -3.45 113.55 109.85 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 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1yho h SER 59 CO 0.00 0.73 0.88 -0.63 -1.14 0.00 0.00 176.83 176.66 1yho s ILE 60 N -2.84 3.73 0.83 3.27 1.01 -0.44 -5.00 121.20 121.76 1yho s ILE 60 Ca 0.02 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.64 1yho s ILE 60 Cb 0.09 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.96 1yho s ILE 60 CO 0.78 -0.02 1.12 -2.16 0.00 0.00 0.00 174.94 174.66 1yho s PRO 61 N 2.72 1.73 0.45 2.79 0.04 -1.26 -4.77 135.00 136.71 1yho s PRO 61 Ca 0.64 1.38 0.23 0.00 0.04 0.00 0.00 61.00 63.29 1yho s PRO 61 Cb -0.31 -1.82 1.07 0.00 0.04 0.00 0.00 34.50 33.48 1yho s PRO 61 CO 0.26 -2.07 1.91 1.49 0.04 0.00 0.00 177.00 178.63 1yho h GLU 62 N -1.34 0.00 -0.72 4.56 4.81 -1.95 -0.02 114.58 119.91 1yho h GLU 62 Ca -0.44 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.96 1yho h GLU 62 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1yho h GLU 62 CO 0.47 0.23 0.50 0.87 -0.73 0.00 0.00 179.01 180.35 1yho h LYS 63 N 0.00 0.25 0.00 1.92 1.57 -2.00 -2.82 116.57 115.49 1yho h LYS 63 Ca -0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1yho h LYS 63 Cb 0.58 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1yho h LYS 63 CO 0.03 0.16 -1.72 0.09 -0.57 0.00 0.00 179.45 177.44 1yho n ASN 64 N -4.43 2.47 -4.76 0.86 3.02 -1.08 -4.99 115.26 106.34 1yho n ASN 64 Ca 0.14 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 1yho n ASN 64 Cb 0.62 0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 40.40 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 -2.25 4.74 0.36 3.52 3.52 -0.04 -2.32 118.95 126.48 1yho s ARG 65 Ca -0.06 1.35 -0.27 0.00 -0.13 0.00 0.00 55.73 56.62 1yho s ARG 65 Cb 0.03 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 1yho s ARG 65 CO 0.42 0.53 1.20 -1.25 -0.81 0.00 0.00 175.30 175.39 1yho s PRO 66 N -1.11 4.24 -0.86 5.12 0.04 -1.26 -4.59 135.00 136.57 1yho s PRO 66 Ca 0.39 1.95 -0.25 0.00 0.04 0.00 0.00 61.00 63.14 1yho s PRO 66 Cb -0.25 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 1yho s PRO 66 CO 0.30 -0.20 1.70 -1.17 0.04 0.00 0.00 177.00 177.67 1yho s LEU 67 N -2.11 3.28 0.87 -3.56 1.98 -0.98 -4.97 118.68 113.19 1yho s LEU 67 Ca 0.53 -0.68 -0.12 0.00 -2.89 0.00 0.00 54.13 50.97 1yho s LEU 67 Cb -0.34 -2.56 0.11 0.00 0.66 0.00 0.00 46.19 44.07 1yho s LEU 67 CO 0.44 -2.21 1.10 -0.54 -1.89 0.00 0.00 176.35 173.25 1yho s LYS 68 N 6.27 1.47 0.00 1.98 -0.14 -1.26 -3.93 119.74 124.13 1yho s LYS 68 Ca 0.58 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.89 1yho s LYS 68 Cb -0.06 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 1yho s LYS 68 CO 0.03 -2.06 0.00 0.41 -0.76 0.00 0.00 175.35 172.96 1yho n GLY 69 N -1.52 2.77 3.26 -3.33 0.00 -1.26 -4.99 105.19 100.11 1yho n GLY 69 Ca 0.07 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 1.08 -0.50 1.61 3.00 -1.25 -4.87 118.95 118.01 1yho s ARG 70 Ca 0.00 -1.24 -0.28 0.00 0.00 0.00 0.00 55.73 54.21 1yho s ARG 70 Cb 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 34.95 33.92 1yho s ARG 70 CO 0.00 0.22 1.12 0.42 0.00 0.00 0.00 175.30 177.05 1yho s ILE 71 N -1.91 4.20 -0.12 1.52 1.01 -0.83 -4.93 121.20 120.15 1yho s ILE 71 Ca 0.09 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.63 1yho s ILE 71 Cb -0.06 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 1yho s ILE 71 CO 0.04 -1.07 0.44 0.20 0.00 0.00 0.00 174.94 174.55 1yho s ASN 72 N 2.57 6.65 -0.07 3.58 -0.87 -1.26 -0.36 114.94 125.18 1yho s ASN 72 Ca 0.45 0.77 0.02 0.00 -1.57 0.00 0.00 52.86 52.53 1yho s ASN 72 Cb -0.08 -2.27 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1yho s ASN 72 CO 0.29 0.03 -0.11 -0.22 -2.57 0.00 0.00 177.10 174.52 1yho s LEU 73 N 0.52 1.60 0.02 0.60 0.20 0.24 -1.06 118.68 120.80 1yho s LEU 73 Ca 0.24 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.79 1yho s LEU 73 Cb -0.15 -0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 1yho s LEU 73 CO 0.09 0.02 0.04 -0.69 -0.29 0.00 0.00 176.35 175.52 1yho s VAL 74 N 0.74 4.40 -0.37 1.68 1.01 -0.70 0.78 120.40 127.94 1yho s VAL 74 Ca -0.13 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1yho s VAL 74 Cb -0.16 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1yho s VAL 74 CO 0.03 0.30 0.18 -0.76 0.00 0.00 0.00 175.10 174.85 1yho s LEU 75 N -1.83 4.68 -0.05 3.92 1.43 -0.79 -2.03 118.68 124.01 1yho s LEU 75 Ca 0.23 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1yho s LEU 75 Cb -0.12 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1yho s LEU 75 CO 0.14 -0.40 0.09 -0.55 0.23 0.00 0.00 176.35 175.86 1yho s SER 76 N 1.62 0.85 0.00 2.29 0.15 -0.41 -4.32 113.70 113.88 1yho s SER 76 Ca 0.01 0.17 0.13 0.00 0.70 0.00 0.00 55.95 56.96 1yho s SER 76 Cb -0.20 0.02 -0.20 0.00 -1.71 0.00 0.00 66.02 63.93 1yho s SER 76 CO 0.04 -0.23 0.76 -0.09 1.20 0.00 0.00 173.24 174.92 1yho h ARG 77 N 8.24 0.00 -0.21 5.44 2.43 -1.75 -3.30 114.38 125.24 1yho h ARG 77 Ca -0.17 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.82 1yho h ARG 77 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1yho h ARG 77 CO 0.19 0.47 -0.58 0.93 -1.51 0.00 0.00 179.97 179.48 1yho h GLU 78 N 0.00 0.65 -6.71 0.20 4.39 -1.95 -3.44 114.58 107.71 1yho h GLU 78 Ca -0.23 -0.43 -0.50 0.00 0.34 0.00 0.00 59.36 58.55 1yho h GLU 78 Cb 1.88 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.56 1yho h GLU 78 CO 0.07 1.05 0.16 -0.51 -1.16 0.00 0.00 179.01 178.62 1yho s LEU 79 N -8.42 4.21 -0.19 1.33 1.43 -1.26 -4.99 118.68 110.79 1yho s LEU 79 Ca -0.08 1.46 0.16 0.00 -1.03 0.00 0.00 54.13 54.64 1yho s LEU 79 Cb 0.11 -3.90 -0.24 0.00 0.03 0.00 0.00 46.19 42.18 1yho s LEU 79 CO 0.86 -0.10 0.09 2.29 0.23 0.00 0.00 176.35 179.72 1yho n LYS 80 N 0.21 0.68 -4.71 1.70 -0.00 -1.26 -4.87 118.16 109.91 1yho n LYS 80 Ca 0.01 0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 58.04 1yho n LYS 80 Cb 0.52 -1.54 -0.13 0.00 -0.00 0.00 0.00 35.03 33.88 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1yho s GLU 81 N -2.50 2.10 0.58 -1.58 2.02 -1.26 -5.06 118.70 113.00 1yho s GLU 81 Ca -0.12 -0.96 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 1yho s GLU 81 Cb 0.06 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 1yho s GLU 81 CO 0.81 0.55 0.98 -2.30 0.02 0.00 0.00 175.26 175.31 1yho n PRO 82 N 1.65 0.96 -1.97 0.39 -0.02 -1.26 -4.97 135.00 129.78 1yho n PRO 82 Ca -0.16 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 1yho n PRO 82 Cb 0.52 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.69 3.23 0.15 0.52 0.04 -1.26 -4.96 135.00 130.03 1yho s PRO 83 Ca 0.74 1.20 -0.32 0.00 0.04 0.00 0.00 61.00 62.66 1yho s PRO 83 Cb -0.43 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 1yho s PRO 83 CO 0.48 -0.89 1.78 0.94 0.04 0.00 0.00 177.00 179.35 1yho n GLN 84 N -2.18 2.71 0.00 4.56 7.27 -1.26 -1.62 117.38 126.86 1yho n GLN 84 Ca 0.09 0.98 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1yho n GLN 84 Cb 0.53 -2.85 0.00 0.00 2.41 0.00 0.00 30.24 30.33 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 4.07 3.14 3.87 1.69 0.00 -1.26 -4.97 105.19 111.73 1yho n GLY 85 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.88 3.14 -0.16 4.61 0.00 -0.64 -4.72 121.76 121.12 1yho s ALA 86 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1yho s ALA 86 Cb 0.00 -3.01 -0.24 0.00 0.00 0.00 0.00 23.12 19.88 1yho s ALA 86 CO 0.00 -0.52 0.20 0.72 0.00 0.00 0.00 175.76 176.16 1yho n HIS 87 N -2.38 0.90 -3.77 0.00 8.25 -0.22 -4.88 115.22 113.12 1yho n HIS 87 Ca 0.05 0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1yho n HIS 87 Cb 0.54 -1.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 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 -2.55 0.01 0.00 4.41 0.08 -1.14 -5.04 117.98 113.76 1yho s PHE 88 Ca -0.26 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.40 1yho s PHE 88 Cb 0.07 0.06 -0.00 0.00 -0.57 0.00 0.00 43.02 42.58 1yho s PHE 88 CO 0.72 -0.60 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.07 1yho s LEU 89 N -2.82 2.04 -0.03 -0.37 2.96 -1.26 -1.72 118.68 117.48 1yho s LEU 89 Ca 0.04 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1yho s LEU 89 Cb 0.04 0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.78 1yho s LEU 89 CO -0.11 -0.08 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.29 1yho s SER 90 N -0.39 1.35 0.17 3.68 0.01 -0.86 -4.90 113.70 112.76 1yho s SER 90 Ca -0.04 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 1yho s SER 90 Cb -0.03 -0.35 0.06 0.00 0.21 0.00 0.00 66.02 65.92 1yho s SER 90 CO -0.00 0.08 1.76 0.03 0.41 0.00 0.00 173.24 175.52 1yho h ARG 91 N 6.33 0.78 -4.65 12.44 3.08 -1.90 -1.08 114.38 129.38 1yho h ARG 91 Ca -0.33 -0.11 -0.27 0.00 0.07 0.00 0.00 59.98 59.35 1yho h ARG 91 Cb 1.17 -0.15 -0.15 0.00 0.08 0.00 0.00 29.97 30.93 1yho h ARG 91 CO 0.49 0.63 -0.62 -1.12 -1.07 0.00 0.00 179.97 178.28 1yho s SER 92 N -5.91 0.38 0.42 7.04 0.01 -1.26 -3.03 113.70 111.35 1yho s SER 92 Ca -0.13 -1.40 0.09 0.00 1.31 0.00 0.00 55.95 55.82 1yho s SER 92 Cb 0.12 0.35 0.91 0.00 0.21 0.00 0.00 66.02 67.61 1yho s SER 92 CO 0.77 -0.83 2.05 0.25 0.41 0.00 0.00 173.24 175.89 1yho h LEU 93 N 2.56 0.36 -1.00 2.44 5.85 -1.99 -1.82 115.31 121.70 1yho h LEU 93 Ca -0.36 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1yho h LEU 93 Cb 1.25 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1yho h LEU 93 CO 0.54 0.30 0.32 -0.78 -0.34 0.00 0.00 178.44 178.48 1yho h ASP 94 N 0.41 0.94 -0.06 1.25 3.58 -1.98 -0.19 116.42 120.37 1yho h ASP 94 Ca 0.11 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1yho h ASP 94 Cb 0.02 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1yho h ASP 94 CO -0.02 0.81 -0.09 0.44 -2.88 0.00 0.00 179.24 177.50 1yho h ASP 95 N 1.02 0.19 -0.66 2.28 5.19 -1.76 -1.78 116.42 120.90 1yho h ASP 95 Ca 0.25 -0.54 -0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1yho h ASP 95 Cb 0.14 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 1yho h ASP 95 CO -0.03 0.69 0.41 0.00 -3.12 0.00 0.00 179.24 177.19 1yho h ALA 96 N 0.50 1.46 -0.20 3.45 0.00 -1.28 -1.65 119.26 121.54 1yho h ALA 96 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1yho h ALA 96 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yho h ALA 96 CO 0.02 0.47 -0.54 -0.07 0.00 0.00 0.00 179.25 179.13 1yho h LEU 97 N 0.92 0.66 -0.44 0.00 3.38 -1.02 -2.30 115.31 116.51 1yho h LEU 97 Ca 0.24 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1yho h LEU 97 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1yho h LEU 97 CO -0.05 1.08 0.09 0.50 0.09 0.00 0.00 178.44 180.15 1yho h LYS 98 N 0.46 0.72 -0.17 1.13 1.63 -0.69 0.51 116.57 120.17 1yho h LYS 98 Ca 0.01 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1yho h LYS 98 Cb 1.09 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 1yho h LYS 98 CO 0.11 0.73 0.03 1.25 -3.45 0.00 0.00 179.45 178.12 1yho h LEU 99 N 0.59 0.28 -1.58 5.20 5.85 -1.31 0.24 115.31 124.58 1yho h LEU 99 Ca 0.14 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1yho h LEU 99 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1yho h LEU 99 CO 0.00 0.47 -0.21 0.71 -0.34 0.00 0.00 178.44 179.07 1yho h THR 100 N 0.08 0.77 0.00 1.05 1.35 -1.35 -2.56 112.91 112.24 1yho h THR 100 Ca 0.05 -0.84 -0.16 0.00 -0.55 0.00 0.00 66.41 64.92 1yho h THR 100 Cb 0.31 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1yho h THR 100 CO 0.00 0.20 -1.10 -0.33 -0.25 0.00 0.00 175.52 174.05 1yho h GLU 101 N 0.00 0.00 -7.15 4.72 4.39 -0.59 -3.34 114.58 112.62 1yho h GLU 101 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.17 1yho h GLU 101 Cb 0.50 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.27 1yho h GLU 101 CO 0.03 0.42 0.42 -0.65 -1.16 0.00 0.00 179.01 178.07 1yho s GLN 102 N -2.91 2.67 0.45 2.33 -1.52 0.81 -4.74 119.66 116.75 1yho s GLN 102 Ca -0.00 1.70 0.19 0.00 -1.95 0.00 0.00 55.36 55.29 1yho s GLN 102 Cb 0.08 -1.91 1.06 0.00 -0.22 0.00 0.00 33.01 32.03 1yho s GLN 102 CO 0.79 -1.41 1.95 -1.00 -0.25 0.00 0.00 175.29 175.37 1yho h PRO 103 N 0.31 0.00 -0.83 2.91 0.13 -1.90 0.65 132.00 133.27 1yho h PRO 103 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1yho h PRO 103 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1yho h PRO 103 CO 0.53 0.23 0.43 1.05 -0.23 0.00 0.00 178.00 180.01 1yho h GLU 104 N 0.00 1.17 0.00 0.86 4.11 -1.91 -2.62 114.58 116.19 1yho h GLU 104 Ca -0.00 -0.15 -0.36 0.00 0.07 0.00 0.00 59.36 58.92 1yho h GLU 104 Cb 0.48 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1yho h GLU 104 CO 0.03 0.88 -2.26 -0.11 0.07 0.00 0.00 179.01 177.62 1yho n LEU 105 N -4.36 0.22 0.20 3.06 7.94 -1.08 -4.26 117.00 118.72 1yho n LEU 105 Ca 0.08 0.08 0.14 0.00 -1.11 0.00 0.00 56.01 55.20 1yho n LEU 105 Cb 0.11 0.41 0.75 0.00 0.53 0.00 0.00 43.42 45.23 1yho n LEU 105 CO 0.39 0.49 1.12 0.00 -1.11 0.00 0.00 177.39 178.28 1yho h ALA 106 N 0.98 1.96 -0.01 1.96 0.00 0.32 0.66 119.26 125.13 1yho h ALA 106 Ca -0.50 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1yho h ALA 106 Cb 2.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 1yho h ALA 106 CO 0.04 -0.20 -0.66 -0.91 0.00 0.00 0.00 179.25 177.52 1yho h ASN 107 N 0.00 0.03 0.18 0.00 4.21 -1.64 -3.28 115.58 115.07 1yho h ASN 107 Ca 0.07 -0.02 -0.35 0.00 1.21 0.00 0.00 56.30 57.21 1yho h ASN 107 Cb 0.32 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.47 1yho h ASN 107 CO -0.00 0.68 -2.06 1.17 -1.29 0.00 0.00 177.43 175.93 1yho n LYS 108 N -3.76 0.70 -4.27 0.81 4.81 -0.11 -4.93 118.16 111.41 1yho n LYS 108 Ca -0.01 0.22 -0.32 0.00 -0.87 0.00 0.00 58.31 57.33 1yho n LYS 108 Cb 0.65 -1.68 -0.09 0.00 0.02 0.00 0.00 35.03 33.94 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 -2.55 4.05 0.00 3.15 1.01 0.21 -3.17 120.40 123.09 1yho s VAL 109 Ca -0.19 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1yho s VAL 109 Cb 0.07 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1yho s VAL 109 CO 0.76 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 175.50 1yho n ASP 110 N 1.21 1.47 -4.32 3.32 2.03 -1.21 -4.35 116.55 114.69 1yho n ASP 110 Ca -0.14 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.94 1yho n ASP 110 Cb 0.52 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.92 1.24 0.05 -0.67 -1.94 -1.26 -4.18 119.30 110.62 1yho s MET 111 Ca 0.00 -1.32 0.09 0.00 -1.71 0.00 0.00 55.69 52.75 1yho s MET 111 Cb 0.00 -1.41 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 1yho s MET 111 CO 0.00 0.31 -0.23 0.08 -0.01 0.00 0.00 175.02 175.16 1yho s VAL 112 N -1.63 2.39 -0.09 -6.03 1.01 -0.88 -2.21 120.40 112.96 1yho s VAL 112 Ca 0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1yho s VAL 112 Cb -0.08 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1yho s VAL 112 CO 0.06 0.32 -0.05 0.26 0.00 0.00 0.00 175.10 175.70 1yho s TRP 113 N -0.88 1.12 0.02 5.22 0.52 -0.45 -0.03 118.94 124.46 1yho s TRP 113 Ca 0.13 -0.48 -0.25 0.00 0.02 0.00 0.00 56.10 55.52 1yho s TRP 113 Cb -0.10 -1.03 -0.05 0.00 -1.15 0.00 0.00 33.47 31.14 1yho s TRP 113 CO 0.04 -0.42 0.77 0.42 0.02 0.00 0.00 176.95 177.78 1yho s ILE 114 N 1.74 4.80 -0.27 2.03 -1.09 0.12 -1.64 121.20 126.88 1yho s ILE 114 Ca 0.04 1.63 0.15 0.00 -2.23 0.00 0.00 60.65 60.24 1yho s ILE 114 Cb -0.13 -4.12 0.48 0.00 -1.58 0.00 0.00 42.46 37.12 1yho s ILE 114 CO -0.06 0.33 1.15 1.33 -1.23 0.00 0.00 174.94 176.46 1yho n VAL 115 N 3.07 1.86 0.00 2.92 0.24 -0.85 -1.77 118.33 123.80 1yho n VAL 115 Ca -0.02 -3.50 0.00 0.00 -2.04 0.00 0.00 64.34 58.78 1yho n VAL 115 Cb 0.50 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.64 -0.01 0.00 7.63 0.00 -1.26 -4.74 105.19 106.17 1yho n GLY 116 Ca 0.25 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.12 0.65 0.27 -0.02 0.00 -1.26 -2.96 105.19 101.99 1yho n GLY 117 Ca 0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.49 -0.60 1.61 0.02 -1.99 -2.39 113.55 110.69 1yho h SER 118 Ca 0.00 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1yho h SER 118 Cb 0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1yho h SER 118 CO 0.00 0.56 0.38 0.28 -1.14 0.00 0.00 176.83 176.90 1yho h SER 119 N 0.50 0.63 -0.47 3.07 0.02 -1.99 0.24 113.55 115.54 1yho h SER 119 Ca 0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1yho h SER 119 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1yho h SER 119 CO 0.01 0.44 -0.18 0.58 -1.14 0.00 0.00 176.83 176.54 1yho h VAL 120 N 0.75 1.27 -0.73 2.27 2.07 -1.79 -2.45 116.25 117.64 1yho h VAL 120 Ca 0.23 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1yho h VAL 120 Cb -0.02 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1yho h VAL 120 CO -0.08 0.46 0.21 1.88 0.02 0.00 0.00 177.57 180.06 1yho h TYR 121 N 0.85 1.18 -0.03 1.57 -1.99 -0.96 -1.54 116.97 116.05 1yho h TYR 121 Ca 0.12 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1yho h TYR 121 Cb 0.74 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 1yho h TYR 121 CO 0.05 0.94 0.01 0.87 -0.00 0.00 0.00 178.16 180.03 1yho h LYS 122 N 1.08 0.04 -0.24 4.88 1.79 -0.84 0.50 116.57 123.79 1yho h LYS 122 Ca 0.23 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1yho h LYS 122 Cb 0.32 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1yho h LYS 122 CO -0.00 0.20 0.12 0.93 -1.08 0.00 0.00 179.45 179.62 1yho h GLU 123 N -0.12 0.25 0.00 3.15 4.39 -1.34 -1.89 114.58 119.01 1yho h GLU 123 Ca 0.01 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1yho h GLU 123 Cb 0.17 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1yho h GLU 123 CO -0.00 0.16 -0.21 0.00 -1.16 0.00 0.00 179.01 177.80 1yho h ALA 124 N 1.12 1.37 -0.00 3.43 0.00 -1.22 -2.34 119.26 121.62 1yho h ALA 124 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yho h ALA 124 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1yho h ALA 124 CO -0.06 0.26 0.03 1.98 0.00 0.00 0.00 179.25 181.46 1yho h MET 125 N 0.00 0.00 -0.73 0.00 -1.53 -0.03 0.15 114.93 112.79 1yho h MET 125 Ca -0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 1yho h MET 125 Cb 0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 1yho h MET 125 CO 0.03 0.00 0.04 -1.71 0.14 0.00 0.00 176.91 175.40 1yho n ASN 126 N -3.16 4.32 -4.69 1.39 2.85 -0.88 -4.93 115.26 110.16 1yho n ASN 126 Ca -0.03 -2.70 -0.42 0.00 -0.11 0.00 0.00 54.58 51.32 1yho n ASN 126 Cb 0.10 -0.64 -0.03 0.00 1.24 0.00 0.00 39.78 40.45 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1yho s HIS 127 N -2.26 3.42 0.09 1.20 3.76 0.04 -4.95 115.29 116.59 1yho s HIS 127 Ca 0.39 1.48 -0.10 0.00 -0.15 0.00 0.00 55.06 56.68 1yho s HIS 127 Cb 0.30 -3.26 -0.20 0.00 1.11 0.00 0.00 32.58 30.53 1yho s HIS 127 CO 0.11 -0.57 1.21 -1.00 -0.85 0.00 0.00 174.74 173.64 1yho h PRO 128 N 7.19 0.54 -7.35 8.40 0.13 -1.91 -3.47 132.00 135.53 1yho h PRO 128 Ca -0.32 -0.63 -0.45 0.00 -0.87 0.00 0.00 66.00 63.72 1yho h PRO 128 Cb 1.16 0.19 0.17 0.00 0.13 0.00 0.00 31.00 32.65 1yho h PRO 128 CO 0.86 1.25 0.17 0.20 -0.23 0.00 0.00 178.00 180.25 1yho s GLY 129 N -4.41 1.56 0.23 1.56 0.00 -1.26 -4.38 107.32 100.61 1yho s GLY 129 Ca -0.08 -0.41 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 1yho s GLY 129 CO 0.90 0.24 1.68 0.30 0.00 0.00 0.00 173.10 176.22 1yho s HIS 130 N -2.93 2.88 -0.06 1.90 3.76 -1.26 -4.89 115.29 114.69 1yho s HIS 130 Ca 0.66 0.48 -0.09 0.00 -0.15 0.00 0.00 55.06 55.96 1yho s HIS 130 Cb -0.19 -4.10 0.02 0.00 1.11 0.00 0.00 32.58 29.42 1yho s HIS 130 CO 0.58 -4.05 0.22 -1.17 -0.85 0.00 0.00 174.74 169.47 1yho s LEU 131 N 0.75 1.16 -0.06 0.89 0.20 -1.26 -4.34 118.68 116.04 1yho s LEU 131 Ca 0.71 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 55.79 1yho s LEU 131 Cb -0.49 0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 46.09 1yho s LEU 131 CO 0.36 -0.20 0.02 -0.54 -0.29 0.00 0.00 176.35 175.70 1yho s LYS 132 N -0.43 2.98 -0.11 1.98 1.02 -0.88 -1.29 119.74 123.01 1yho s LYS 132 Ca -0.05 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1yho s LYS 132 Cb -0.04 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1yho s LYS 132 CO 0.01 0.68 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.93 1yho s LEU 133 N -1.18 1.00 -0.22 3.17 2.96 -0.07 -0.49 118.68 123.86 1yho s LEU 133 Ca 0.16 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1yho s LEU 133 Cb -0.12 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1yho s LEU 133 CO 0.06 -0.18 0.03 -0.36 -1.32 0.00 0.00 176.35 174.58 1yho s PHE 134 N 1.82 3.07 -0.09 5.38 0.40 0.28 0.10 117.98 128.94 1yho s PHE 134 Ca 0.04 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1yho s PHE 134 Cb -0.13 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1yho s PHE 134 CO -0.07 -0.29 -0.17 0.14 0.70 0.00 0.00 175.22 175.53 1yho s VAL 135 N 1.26 1.58 -0.32 -0.44 -7.23 -0.46 -0.88 120.40 113.91 1yho s VAL 135 Ca 0.04 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 1yho s VAL 135 Cb -0.15 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1yho s VAL 135 CO 0.02 0.45 0.21 -0.89 -0.31 0.00 0.00 175.10 174.58 1yho s THR 136 N 0.64 5.08 -0.24 5.32 2.01 -0.78 -1.09 115.64 126.57 1yho s THR 136 Ca -0.14 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 1yho s THR 136 Cb -0.16 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1yho s THR 136 CO 0.04 0.06 0.66 -0.60 -0.69 0.00 0.00 174.62 174.09 1yho s ARG 137 N 1.70 4.14 -0.42 4.92 6.06 -0.08 0.04 118.95 135.31 1yho s ARG 137 Ca 0.06 0.63 -0.19 0.00 -2.50 0.00 0.00 55.73 53.73 1yho s ARG 137 Cb -0.17 -3.64 0.02 0.00 0.06 0.00 0.00 34.95 31.22 1yho s ARG 137 CO 0.09 -0.41 0.52 0.42 -2.50 0.00 0.00 175.30 173.43 1yho s ILE 138 N 2.48 4.98 -1.27 4.11 -1.09 -0.16 -0.10 121.20 130.16 1yho s ILE 138 Ca 0.28 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.43 1yho s ILE 138 Cb -0.15 -4.09 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1yho s ILE 138 CO 0.09 -0.45 1.86 0.80 -1.23 0.00 0.00 174.94 176.00 1yho n MET 139 N 5.86 2.69 -3.65 2.79 1.56 0.19 -1.19 117.12 125.37 1yho n MET 139 Ca -0.05 -2.92 0.00 0.00 -0.27 0.00 0.00 57.70 54.46 1yho n MET 139 Cb 0.48 -3.49 -0.06 0.00 2.15 0.00 0.00 33.22 32.30 1yho n MET 139 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1yho s GLN 140 N 4.64 0.20 0.07 2.12 -1.52 -1.26 -4.12 119.66 119.77 1yho s GLN 140 Ca 0.56 0.34 -0.31 0.00 -1.95 0.00 0.00 55.36 54.01 1yho s GLN 140 Cb 0.05 0.04 -0.06 0.00 -0.22 0.00 0.00 33.01 32.82 1yho s GLN 140 CO 0.07 -0.04 1.29 -0.51 -0.25 0.00 0.00 175.29 175.85 1yho s ASP 141 N 1.15 6.96 0.06 5.90 1.01 -1.26 -4.49 116.67 125.99 1yho s ASP 141 Ca -0.08 2.12 -0.16 0.00 0.71 0.00 0.00 52.55 55.14 1yho s ASP 141 Cb -0.03 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1yho s ASP 141 CO -0.12 -0.57 0.37 -0.36 0.21 0.00 0.00 175.17 174.70 1yho s PHE 142 N 1.30 -0.19 0.05 4.23 0.08 -1.26 -5.12 117.98 117.06 1yho s PHE 142 Ca 0.61 0.07 -0.31 0.00 0.12 0.00 0.00 56.93 57.43 1yho s PHE 142 Cb -0.32 0.18 -0.06 0.00 -0.57 0.00 0.00 43.02 42.25 1yho s PHE 142 CO 0.29 -0.57 1.31 -1.21 -0.10 0.00 0.00 175.22 174.94 1yho s GLU 143 N -2.74 4.35 -0.02 0.44 2.02 -1.26 -5.00 118.70 116.49 1yho s GLU 143 Ca -0.04 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1yho s GLU 143 Cb -0.00 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.85 1yho s GLU 143 CO -0.04 -0.41 -0.00 -1.12 0.02 0.00 0.00 175.26 173.71 1yho s SER 144 N 1.33 0.31 -0.17 -0.19 0.01 -1.26 -4.65 113.70 109.07 1yho s SER 144 Ca 0.61 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 1yho s SER 144 Cb -0.32 -0.14 -0.23 0.00 0.21 0.00 0.00 66.02 65.54 1yho s SER 144 CO 0.28 -0.07 0.15 0.47 0.41 0.00 0.00 173.24 174.48 1yho n ASP 145 N 3.85 2.08 -4.59 2.44 8.00 -1.25 -4.85 116.55 122.22 1yho n ASP 145 Ca -0.23 0.09 -0.39 0.00 0.71 0.00 0.00 54.79 54.96 1yho n ASP 145 Cb 0.53 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.82 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1yho s THR 146 N -2.54 5.22 -0.07 -3.53 2.01 -1.07 -5.03 115.64 110.62 1yho s THR 146 Ca -0.27 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1yho s THR 146 Cb 0.07 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1yho s THR 146 CO 0.71 0.14 0.13 -0.36 -0.69 0.00 0.00 174.62 174.54 1yho s PHE 147 N 1.96 3.49 0.07 4.92 0.40 -1.26 -2.45 117.98 125.11 1yho s PHE 147 Ca 0.12 0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.64 1yho s PHE 147 Cb -0.16 -1.87 -0.07 0.00 0.51 0.00 0.00 43.02 41.44 1yho s PHE 147 CO 0.11 0.66 0.64 0.12 0.70 0.00 0.00 175.22 177.44 1yho s PHE 148 N -1.11 3.80 0.39 0.36 2.19 0.12 -4.94 117.98 118.78 1yho s PHE 148 Ca 0.19 1.35 -0.26 0.00 0.33 0.00 0.00 56.93 58.54 1yho s PHE 148 Cb -0.12 -2.61 -0.09 0.00 -1.31 0.00 0.00 43.02 38.89 1yho s PHE 148 CO 0.09 0.49 1.24 -1.25 1.83 0.00 0.00 175.22 177.62 1yho s PRO 149 N -0.83 4.09 0.15 10.12 0.04 -1.26 -4.94 135.00 142.37 1yho s PRO 149 Ca 0.32 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 1yho s PRO 149 Cb -0.20 -2.80 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 1yho s PRO 149 CO 0.21 -0.34 1.72 -2.00 0.04 0.00 0.00 177.00 176.63 1yho s GLU 150 N -2.15 4.16 0.27 4.56 -6.30 -1.26 -4.96 118.70 113.02 1yho s GLU 150 Ca 0.55 2.52 -0.30 0.00 -2.50 0.00 0.00 54.97 55.24 1yho s GLU 150 Cb -0.35 -3.36 -0.09 0.00 0.00 0.00 0.00 34.13 30.33 1yho s GLU 150 CO 0.45 -0.76 1.05 0.42 0.02 0.00 0.00 175.26 176.45 1yho s ILE 151 N 1.97 3.66 -0.16 -3.70 1.01 -1.26 -5.01 121.20 117.70 1yho s ILE 151 Ca 0.76 1.67 -0.27 0.00 0.00 0.00 0.00 60.65 62.81 1yho s ILE 151 Cb -0.46 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1yho s ILE 151 CO 0.33 0.40 0.92 -1.81 0.00 0.00 0.00 174.94 174.78 1yho s ASP 152 N -0.95 7.06 0.34 3.58 1.01 -1.26 -4.93 116.67 121.52 1yho s ASP 152 Ca 0.44 1.30 0.14 0.00 0.71 0.00 0.00 52.55 55.14 1yho s ASP 152 Cb -0.30 -2.50 0.60 0.00 1.01 0.00 0.00 42.92 41.73 1yho s ASP 152 CO 0.38 -0.46 1.73 -0.07 0.21 0.00 0.00 175.17 176.96 1yho h LEU 153 N 8.47 0.00 -1.35 1.23 3.38 -1.95 0.48 115.31 125.56 1yho h LEU 153 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1yho h LEU 153 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1yho h LEU 153 CO 0.87 0.46 -0.30 -0.33 0.09 0.00 0.00 178.44 179.23 1yho h GLU 154 N 0.00 0.04 0.00 1.13 4.39 -2.01 -3.24 114.58 114.89 1yho h GLU 154 Ca -0.00 -0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.31 1yho h GLU 154 Cb 0.88 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.46 1yho h GLU 154 CO 0.06 0.34 -2.43 1.63 -1.16 0.00 0.00 179.01 177.44 1yho n LYS 155 N -4.17 0.66 -4.00 2.33 4.76 -1.09 -4.93 118.16 111.72 1yho n LYS 155 Ca -0.02 0.12 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 1yho n LYS 155 Cb 0.35 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 31.98 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yho s TYR 156 N -2.50 3.41 -0.27 2.13 2.02 0.17 -2.12 117.35 120.17 1yho s TYR 156 Ca -0.30 0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1yho s TYR 156 Cb 0.08 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1yho s TYR 156 CO 0.62 0.59 0.06 0.21 -1.57 0.00 0.00 175.55 175.47 1yho s LYS 157 N -1.91 3.27 -0.23 -0.62 2.47 0.15 -4.24 119.74 118.63 1yho s LYS 157 Ca 0.26 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.65 1yho s LYS 157 Cb -0.12 -3.32 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 1yho s LYS 157 CO 0.17 -0.35 1.49 -1.17 0.16 0.00 0.00 175.35 175.66 1yho s LEU 158 N 1.53 3.93 -0.56 5.43 0.20 -1.26 -1.56 118.68 126.38 1yho s LEU 158 Ca 0.04 1.52 0.01 0.00 0.69 0.00 0.00 54.13 56.39 1yho s LEU 158 Cb -0.16 -3.53 0.14 0.00 -0.43 0.00 0.00 46.19 42.21 1yho s LEU 158 CO 0.02 -1.15 0.33 -0.76 -0.29 0.00 0.00 176.35 174.50 1yho s LEU 159 N 4.76 4.74 0.07 -0.68 1.43 0.24 -4.99 118.68 124.26 1yho s LEU 159 Ca 0.65 -2.91 -0.28 0.00 -1.03 0.00 0.00 54.13 50.56 1yho s LEU 159 Cb -0.22 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.13 1yho s LEU 159 CO 0.26 -0.30 1.44 -0.65 0.23 0.00 0.00 176.35 177.34 1yho h PRO 160 N 6.77 -0.74 -4.78 1.29 0.11 -1.92 -2.06 132.00 130.67 1yho h PRO 160 Ca -0.05 0.05 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 1yho h PRO 160 Cb 0.92 0.17 -0.21 0.00 0.11 0.00 0.00 31.00 31.99 1yho h PRO 160 CO 0.69 -0.49 -0.54 -1.21 -0.21 0.00 0.00 178.00 176.24 1yho s GLU 161 N -5.24 3.43 -0.03 1.05 8.01 -1.26 -4.50 118.70 120.15 1yho s GLU 161 Ca -0.14 -0.67 0.06 0.00 0.01 0.00 0.00 54.97 54.23 1yho s GLU 161 Cb 0.04 -3.62 -0.01 0.00 -4.31 0.00 0.00 34.13 26.22 1yho s GLU 161 CO 0.48 -0.40 -0.21 -0.47 0.01 0.00 0.00 175.26 174.67 1yho s TYR 162 N 1.65 1.91 0.32 1.61 6.14 -1.26 -5.07 117.35 122.65 1yho s TYR 162 Ca 0.05 -0.42 -0.29 0.00 0.64 0.00 0.00 57.07 57.05 1yho s TYR 162 Cb -0.17 -1.24 -0.10 0.00 0.42 0.00 0.00 41.96 40.86 1yho s TYR 162 CO 0.07 -0.07 1.29 -1.25 0.64 0.00 0.00 175.55 176.23 1yho s PRO 163 N -0.37 4.39 0.00 4.97 0.04 -1.26 -2.98 135.00 139.78 1yho s PRO 163 Ca 0.05 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1yho s PRO 163 Cb -0.09 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1yho s PRO 163 CO 0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1yho n GLY 164 N 0.95 2.99 3.44 0.56 0.00 -1.26 -5.02 105.19 106.86 1yho n GLY 164 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 3.02 0.29 1.61 0.11 -1.16 -5.09 120.40 116.76 1yho s VAL 165 Ca 0.00 -0.72 -0.30 0.00 -2.93 0.00 0.00 61.98 58.02 1yho s VAL 165 Cb 0.00 -2.20 -0.12 0.00 -1.53 0.00 0.00 36.38 32.54 1yho s VAL 165 CO 0.00 0.58 1.59 0.18 -3.33 0.00 0.00 175.10 174.12 1yho n LEU 166 N 2.61 4.28 -0.06 2.54 4.77 -1.26 -4.56 117.00 125.32 1yho n LEU 166 Ca -0.17 1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.89 1yho n LEU 166 Cb 0.52 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.93 1yho n LEU 166 CO 0.27 0.12 -0.90 -1.20 -1.33 0.00 0.00 177.39 174.34 1yho n SER 167 N 2.23 1.82 -4.76 -1.43 7.64 -1.26 -4.53 113.62 113.34 1yho n SER 167 Ca 0.09 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.59 1yho n SER 167 Cb 0.36 0.87 0.02 0.00 -1.01 0.00 0.00 64.21 64.46 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1yho s ASP 168 N -4.52 5.65 0.22 6.43 1.11 -1.26 -4.57 116.67 119.73 1yho s ASP 168 Ca -0.06 2.62 -0.30 0.00 0.18 0.00 0.00 52.55 54.98 1yho s ASP 168 Cb 0.04 -2.63 -0.10 0.00 1.07 0.00 0.00 42.92 41.31 1yho s ASP 168 CO 0.53 -1.30 1.45 -0.69 1.18 0.00 0.00 175.17 176.35 1yho s VAL 169 N -1.37 2.73 0.22 -1.27 1.01 -1.26 -4.76 120.40 115.70 1yho s VAL 169 Ca 0.68 0.59 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1yho s VAL 169 Cb -0.37 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1yho s VAL 169 CO 0.44 0.08 0.19 -1.10 0.00 0.00 0.00 175.10 174.71 1yho s GLN 170 N 0.07 2.97 -0.04 2.72 1.11 -0.47 -4.95 119.66 121.06 1yho s GLN 170 Ca 0.62 -0.97 -0.02 0.00 0.01 0.00 0.00 55.36 55.00 1yho s GLN 170 Cb -0.42 -2.62 0.03 0.00 -1.01 0.00 0.00 33.01 29.00 1yho s GLN 170 CO 0.39 0.43 0.08 -2.00 0.01 0.00 0.00 175.29 174.20 1yho s GLU 171 N -3.62 -0.02 -0.04 2.91 2.12 -1.26 -1.46 118.70 117.33 1yho s GLU 171 Ca 0.32 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 1yho s GLU 171 Cb -0.09 -0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.00 1yho s GLU 171 CO 0.25 -0.25 0.08 -2.00 -0.54 0.00 0.00 175.26 172.80 1yho s GLU 172 N 1.68 -0.01 -1.72 4.30 2.56 -0.27 -4.83 118.70 120.41 1yho s GLU 172 Ca -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 54.97 55.26 1yho s GLU 172 Cb -0.12 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.72 1yho s GLU 172 CO -0.04 -0.22 0.12 1.17 -0.56 0.00 0.00 175.26 175.73 1yho n LYS 173 N 4.57 -2.35 -1.03 4.30 4.81 -1.26 -1.04 118.16 126.16 1yho n LYS 173 Ca -0.20 0.98 -0.01 0.00 -0.87 0.00 0.00 58.31 58.22 1yho n LYS 173 Cb 0.50 -5.69 -0.00 0.00 0.02 0.00 0.00 35.03 29.86 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yho n GLY 174 N -1.11 0.47 3.19 3.14 0.00 -1.26 -5.03 105.19 104.59 1yho n GLY 174 Ca -0.22 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.02 2.65 -0.06 -0.61 1.01 -0.21 -5.11 121.20 116.85 1yho s ILE 175 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1yho s ILE 175 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1yho s ILE 175 CO 0.00 0.36 0.26 -0.54 0.00 0.00 0.00 174.94 175.02 1yho s LYS 176 N 1.33 3.65 0.11 2.79 1.02 -1.26 -1.11 119.74 126.27 1yho s LYS 176 Ca 0.03 0.11 -0.17 0.00 0.02 0.00 0.00 55.97 55.96 1yho s LYS 176 Cb -0.15 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1yho s LYS 176 CO -0.07 0.74 0.41 1.52 -0.92 0.00 0.00 175.35 177.03 1yho s TYR 177 N -1.06 -0.23 0.27 3.18 1.13 -0.53 0.57 117.35 120.67 1yho s TYR 177 Ca 0.19 -0.01 0.10 0.00 -1.41 0.00 0.00 57.07 55.94 1yho s TYR 177 Cb -0.14 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 1yho s TYR 177 CO 0.08 -0.67 -0.15 0.15 -2.51 0.00 0.00 175.55 172.45 1yho s LYS 178 N -3.47 1.59 -0.24 -3.49 1.02 0.86 -1.37 119.74 114.65 1yho s LYS 178 Ca 0.01 -1.75 -0.04 0.00 0.02 0.00 0.00 55.97 54.21 1yho s LYS 178 Cb 0.01 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 1yho s LYS 178 CO -0.10 0.23 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.47 1yho s PHE 179 N -2.71 3.01 -0.05 3.18 0.40 -1.26 -0.90 117.98 119.64 1yho s PHE 179 Ca 0.28 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1yho s PHE 179 Cb -0.02 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1yho s PHE 179 CO 0.13 -0.59 -0.10 -1.21 0.70 0.00 0.00 175.22 174.15 1yho s GLU 180 N 1.45 2.63 -0.09 0.44 2.02 -0.25 -4.81 118.70 120.08 1yho s GLU 180 Ca 0.04 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1yho s GLU 180 Cb -0.15 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 1yho s GLU 180 CO -0.03 0.64 -0.12 0.08 0.02 0.00 0.00 175.26 175.86 1yho s VAL 181 N -0.80 3.25 0.10 2.63 1.01 -0.77 -1.36 120.40 124.45 1yho s VAL 181 Ca 0.12 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1yho s VAL 181 Cb -0.11 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1yho s VAL 181 CO 0.02 0.56 -0.26 -0.31 0.00 0.00 0.00 175.10 175.10 1yho s TYR 182 N -0.22 2.25 0.08 5.22 2.02 0.28 0.83 117.35 127.83 1yho s TYR 182 Ca 0.01 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1yho s TYR 182 Cb -0.13 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1yho s TYR 182 CO 0.03 0.25 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.07 1yho s GLU 183 N -1.74 1.10 -0.26 -0.62 2.12 -0.60 -0.89 118.70 117.81 1yho s GLU 183 Ca 0.12 -1.05 -0.10 0.00 0.36 0.00 0.00 54.97 54.31 1yho s GLU 183 Cb -0.10 -1.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.98 1yho s GLU 183 CO 0.04 0.30 0.16 0.15 -0.54 0.00 0.00 175.26 175.37 1yho s LYS 184 N -1.68 3.93 -0.26 4.30 1.02 -0.42 0.31 119.74 126.95 1yho s LYS 184 Ca 0.05 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1yho s LYS 184 Cb -0.10 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1yho s LYS 184 CO 0.03 -0.12 -0.02 -0.80 -0.92 0.00 0.00 175.35 173.52 1yho s ASN 185 N 1.56 4.55 0.00 2.83 0.01 -0.90 -4.28 114.94 118.72 1yho s ASN 185 Ca 0.07 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1yho s ASN 185 Cb -0.15 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.76 1yho s ASN 185 CO 0.08 -0.13 0.00 -0.67 -1.51 0.00 0.00 177.10 174.88