#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yho n GLY 2 N 0.00 0.37 3.40 7.55 0.00 -1.26 -5.03 105.19 110.22 1yho n GLY 2 Ca 0.00 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.98 5.47 -0.20 1.61 0.01 -1.26 -4.96 113.70 111.39 1yho s SER 3 Ca 0.00 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 56.49 1yho s SER 3 Cb 0.00 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1yho s SER 3 CO 0.00 -0.24 0.10 -0.22 0.41 0.00 0.00 173.24 173.29 1yho s LEU 4 N 1.56 3.92 -0.12 2.44 2.96 -1.26 -0.93 118.68 127.26 1yho s LEU 4 Ca 0.03 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1yho s LEU 4 Cb -0.18 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.52 1yho s LEU 4 CO 0.05 0.13 -0.08 0.20 -1.32 0.00 0.00 176.35 175.34 1yho s ASN 5 N 0.63 2.27 -0.17 3.68 0.01 0.13 -2.13 114.94 119.35 1yho s ASN 5 Ca 0.05 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 51.78 1yho s ASN 5 Cb -0.13 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.63 1yho s ASN 5 CO 0.01 -0.12 0.08 0.00 -1.51 0.00 0.00 177.10 175.56 1yho s ILE 7 N 0.03 -0.24 0.01 0.00 2.07 -0.95 0.95 121.20 123.07 1yho s ILE 7 Ca 0.07 0.34 -0.14 0.00 -1.41 0.00 0.00 60.65 59.51 1yho s ILE 7 Cb -0.12 -0.29 0.02 0.00 0.13 0.00 0.00 42.46 42.20 1yho s ILE 7 CO 0.00 0.13 0.30 0.68 -1.91 0.00 0.00 174.94 174.14 1yho s VAL 8 N 2.28 0.07 -0.14 4.00 -7.23 0.06 -4.50 120.40 114.93 1yho s VAL 8 Ca 0.03 -0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1yho s VAL 8 Cb -0.12 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 1yho s VAL 8 CO -0.06 -0.32 0.01 0.00 -0.31 0.00 0.00 175.10 174.42 1yho s ALA 9 N -1.86 3.22 0.14 1.32 0.00 -1.26 -1.90 121.76 121.41 1yho s ALA 9 Ca -0.10 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1yho s ALA 9 Cb -0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1yho s ALA 9 CO 0.01 0.34 -0.12 0.14 0.00 0.00 0.00 175.76 176.12 1yho s VAL 10 N -0.07 1.29 0.66 0.00 -7.23 0.19 -4.78 120.40 110.46 1yho s VAL 10 Ca 0.04 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1yho s VAL 10 Cb -0.13 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.20 1yho s VAL 10 CO 0.02 -0.55 0.94 -0.44 -0.31 0.00 0.00 175.10 174.76 1yho s SER 11 N -2.78 4.92 0.64 4.85 0.01 -0.04 -1.33 113.70 119.98 1yho s SER 11 Ca 0.13 0.28 0.40 0.00 1.31 0.00 0.00 55.95 58.06 1yho s SER 11 Cb -0.02 -0.99 2.23 0.00 0.21 0.00 0.00 66.02 67.46 1yho s SER 11 CO 0.02 -1.48 2.33 1.56 0.41 0.00 0.00 173.24 176.08 1yho h GLN 12 N -0.40 0.00 -0.74 12.44 4.20 -1.41 0.04 115.11 129.24 1yho h GLN 12 Ca -0.43 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.22 1yho h GLN 12 Cb 1.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 1yho h GLN 12 CO 0.57 0.00 0.07 -1.71 -0.67 0.00 0.00 178.83 177.09 1yho n ASN 13 N -3.32 4.39 -2.42 1.46 5.15 -1.26 -4.88 115.26 114.39 1yho n ASN 13 Ca -0.03 -2.77 -0.19 0.00 -0.60 0.00 0.00 54.58 50.99 1yho n ASN 13 Cb 0.08 -0.66 -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 0.29 -1.83 -3.95 1.20 2.81 -0.00 -4.88 117.12 110.75 1yho n MET 14 Ca 0.24 0.92 -0.31 0.00 -1.81 0.00 0.00 57.70 56.75 1yho n MET 14 Cb 1.02 -5.58 -0.05 0.00 -0.71 0.00 0.00 33.22 27.91 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 -2.05 2.13 -0.08 3.03 0.00 -1.25 0.02 107.32 109.12 1yho s GLY 15 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1yho s GLY 15 CO 0.00 -0.87 -0.08 0.29 0.00 0.00 0.00 173.10 172.45 1yho n ILE 16 N 0.31 0.48 0.00 0.90 -5.35 -1.13 -0.86 119.36 113.70 1yho n ILE 16 Ca -0.06 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1yho n ILE 16 Cb 0.51 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 1yho n ILE 16 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yho n GLY 17 N 3.07 1.56 3.50 3.28 0.00 -1.26 -4.46 105.19 110.88 1yho n GLY 17 Ca -0.15 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1yho n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yho s LYS 18 N -1.19 3.68 -1.77 1.61 -2.85 0.25 -3.99 119.74 115.48 1yho s LYS 18 Ca 0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 1yho s LYS 18 Cb 0.00 -2.95 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 1yho s LYS 18 CO 0.00 0.21 0.00 0.09 0.10 0.00 0.00 175.35 175.75 1yho n ASN 19 N 3.64 -5.80 -0.10 0.03 3.02 -1.26 -1.29 115.26 113.49 1yho n ASN 19 Ca -0.17 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.37 1yho n ASN 19 Cb 0.52 -4.83 -0.01 0.00 -0.61 0.00 0.00 39.78 34.86 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yho n GLY 20 N -1.00 0.48 3.12 7.41 0.00 -1.26 -5.04 105.19 108.90 1yho n GLY 20 Ca -0.24 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.99 1.38 0.37 1.61 1.11 -0.41 -5.05 116.67 112.69 1yho s ASP 21 Ca 0.00 -0.49 -0.27 0.00 0.18 0.00 0.00 52.55 51.97 1yho s ASP 21 Cb 0.00 -0.05 -0.09 0.00 1.07 0.00 0.00 42.92 43.85 1yho s ASP 21 CO 0.00 -0.05 1.23 -0.76 1.18 0.00 0.00 175.17 176.76 1yho s LEU 22 N -1.32 4.30 0.27 1.23 1.43 -1.26 0.86 118.68 124.19 1yho s LEU 22 Ca -0.02 2.49 -0.04 0.00 -1.03 0.00 0.00 54.13 55.53 1yho s LEU 22 Cb -0.08 -3.85 0.36 0.00 0.03 0.00 0.00 46.19 42.64 1yho s LEU 22 CO 0.01 -0.61 1.92 -0.65 0.23 0.00 0.00 176.35 177.25 1yho h PRO 23 N 2.98 1.21 -6.10 1.29 0.11 -1.87 -3.43 132.00 126.20 1yho h PRO 23 Ca -0.49 -0.07 -0.59 0.00 0.11 0.00 0.00 66.00 64.96 1yho h PRO 23 Cb 1.23 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1yho h PRO 23 CO 0.64 0.80 -0.29 1.67 -0.21 0.00 0.00 178.00 180.61 1yho s TRP 24 N -6.04 3.54 1.17 0.65 -2.14 -1.26 -4.89 118.94 109.97 1yho s TRP 24 Ca -0.12 0.68 -0.17 0.00 2.66 0.00 0.00 56.10 59.14 1yho s TRP 24 Cb 0.19 -2.08 0.22 0.00 -3.10 0.00 0.00 33.47 28.69 1yho s TRP 24 CO 0.81 0.50 0.43 -2.30 -2.66 0.00 0.00 176.95 173.73 1yho n PRO 25 N 0.65 -2.73 -1.69 3.25 -0.02 -1.26 -4.79 135.00 128.41 1yho n PRO 25 Ca -0.07 -0.80 -0.50 0.00 -2.02 0.00 0.00 63.50 60.11 1yho n PRO 25 Cb 0.52 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 1yho n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yho n PRO 26 N -3.14 1.93 -3.82 0.52 -0.02 -1.26 -4.95 135.00 124.26 1yho n PRO 26 Ca 0.06 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1yho n PRO 26 Cb 0.51 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.81 4.72 0.21 2.45 2.96 -1.26 -4.96 118.68 126.61 1yho s LEU 27 Ca 0.94 -1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1yho s LEU 27 Cb -0.78 -1.79 0.17 0.00 0.50 0.00 0.00 46.19 44.29 1yho s LEU 27 CO 0.54 -0.43 1.74 0.03 -1.32 0.00 0.00 176.35 176.91 1yho h ARG 28 N 8.03 1.10 -0.37 1.98 3.08 -1.99 -2.06 114.38 124.15 1yho h ARG 28 Ca -0.16 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1yho h ARG 28 Cb 1.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1yho h ARG 28 CO 0.63 0.96 0.24 -0.91 -1.07 0.00 0.00 179.97 179.82 1yho h ASN 29 N 1.05 0.42 0.16 7.04 4.21 -1.98 0.28 115.58 126.76 1yho h ASN 29 Ca 0.22 -0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.47 1yho h ASN 29 Cb 0.35 -0.11 0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1yho h ASN 29 CO 0.00 0.31 -1.00 -0.08 -1.29 0.00 0.00 177.43 175.38 1yho h GLU 30 N 0.50 0.57 -0.13 0.81 4.57 -1.88 -1.29 114.58 117.73 1yho h GLU 30 Ca 0.13 -0.61 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 1yho h GLU 30 Cb -0.05 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1yho h GLU 30 CO -0.03 1.22 -0.32 0.74 -1.18 0.00 0.00 179.01 179.45 1yho h PHE 31 N 0.32 0.57 -0.19 0.92 -1.00 -0.73 -1.32 116.94 115.51 1yho h PHE 31 Ca -0.11 -0.22 -0.05 0.00 2.81 0.00 0.00 57.97 60.41 1yho h PHE 31 Cb 1.64 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 41.09 1yho h PHE 31 CO 0.08 0.94 -0.07 0.00 -1.61 0.00 0.00 178.31 177.65 1yho h ARG 32 N 0.04 0.38 -0.63 1.51 3.08 -0.56 -1.61 114.38 116.60 1yho h ARG 32 Ca -0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1yho h ARG 32 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1yho h ARG 32 CO 0.07 0.66 0.30 -0.92 -1.07 0.00 0.00 179.97 179.01 1yho h TYR 33 N 0.09 0.91 -0.55 3.04 3.20 -1.31 -0.05 116.97 122.30 1yho h TYR 33 Ca 0.05 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1yho h TYR 33 Cb 0.53 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1yho h TYR 33 CO 0.06 0.69 0.22 0.35 -1.64 0.00 0.00 178.16 177.83 1yho h PHE 34 N 0.86 0.84 0.12 -3.82 3.57 -1.21 0.87 116.94 118.17 1yho h PHE 34 Ca 0.21 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1yho h PHE 34 Cb 0.13 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1yho h PHE 34 CO 0.00 0.68 -0.06 1.96 -2.23 0.00 0.00 178.31 178.67 1yho h GLN 35 N 0.75 -0.15 -0.71 1.11 1.08 -1.04 -2.38 115.11 113.76 1yho h GLN 35 Ca 0.18 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1yho h GLN 35 Cb 0.20 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 1yho h GLN 35 CO -0.01 0.13 0.43 -0.09 -0.95 0.00 0.00 178.83 178.33 1yho h ARG 36 N -0.44 0.96 0.10 1.46 1.12 -0.96 0.27 114.38 116.90 1yho h ARG 36 Ca -0.02 -0.08 -0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1yho h ARG 36 Cb 0.35 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1yho h ARG 36 CO 0.03 0.67 -0.06 0.52 -3.11 0.00 0.00 179.97 178.02 1yho h MET 37 N 0.98 -0.15 -0.25 0.20 2.86 -0.72 0.26 114.93 118.11 1yho h MET 37 Ca 0.26 0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.72 1yho h MET 37 Cb -0.04 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1yho h MET 37 CO -0.05 -0.10 -0.57 1.15 1.06 0.00 0.00 176.91 178.40 1yho h THR 38 N -0.15 1.29 -0.78 2.22 2.02 -1.15 -3.13 112.91 113.21 1yho h THR 38 Ca -0.01 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1yho h THR 38 Cb 0.12 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1yho h THR 38 CO 0.01 0.57 0.51 0.74 0.37 0.00 0.00 175.52 177.72 1yho h THR 39 N 0.59 1.21 -1.50 3.16 2.02 -0.31 -3.38 112.91 114.69 1yho h THR 39 Ca 0.01 -0.40 -0.41 0.00 0.77 0.00 0.00 66.41 66.37 1yho h THR 39 Cb 1.17 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1yho h THR 39 CO 0.12 0.21 1.14 0.42 0.37 0.00 0.00 175.52 177.78 1yho s THR 40 N -5.86 3.33 0.11 3.16 -4.23 0.07 -4.96 115.64 107.27 1yho s THR 40 Ca -0.11 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1yho s THR 40 Cb 0.18 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1yho s THR 40 CO 0.79 -0.80 0.18 -0.44 -0.54 0.00 0.00 174.62 173.82 1yho s SER 41 N 8.60 5.97 -0.15 3.99 0.01 -1.26 -4.97 113.70 125.89 1yho s SER 41 Ca 0.72 0.09 0.08 0.00 1.31 0.00 0.00 55.95 58.15 1yho s SER 41 Cb -0.11 -1.72 -0.23 0.00 0.21 0.00 0.00 66.02 64.17 1yho s SER 41 CO 0.14 0.12 0.25 -1.20 0.41 0.00 0.00 173.24 172.96 1yho n SER 42 N -0.04 1.09 -4.64 2.44 7.64 -1.26 -4.86 113.62 113.99 1yho n SER 42 Ca -0.07 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 1yho n SER 42 Cb 0.53 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1yho n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1yho s VAL 43 N -2.54 4.52 0.16 0.44 1.01 -1.26 -5.02 120.40 117.70 1yho s VAL 43 Ca -0.16 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 1yho s VAL 43 Cb 0.07 -4.41 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1yho s VAL 43 CO 0.77 -0.46 0.70 -0.70 0.00 0.00 0.00 175.10 175.40 1yho s GLU 44 N 3.62 4.35 -0.01 2.72 2.12 -1.26 -3.81 118.70 126.43 1yho s GLU 44 Ca 0.45 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1yho s GLU 44 Cb -0.12 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1yho s GLU 44 CO 0.15 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1yho n GLY 45 N 1.35 0.46 3.24 -1.50 0.00 -1.26 -5.03 105.19 102.44 1yho n GLY 45 Ca -0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.81 1.03 -0.03 1.61 -0.14 -1.25 -5.07 119.74 115.09 1yho s LYS 46 Ca 0.00 -1.42 0.05 0.00 -1.36 0.00 0.00 55.97 53.24 1yho s LYS 46 Cb 0.00 -0.61 -0.03 0.00 -1.68 0.00 0.00 37.83 35.52 1yho s LYS 46 CO 0.00 0.07 -0.16 -0.65 -0.76 0.00 0.00 175.35 173.85 1yho s GLN 47 N -3.65 2.37 -0.09 1.68 -0.21 -0.97 -4.99 119.66 113.81 1yho s GLN 47 Ca 0.15 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 1yho s GLN 47 Cb 0.02 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1yho s GLN 47 CO 0.00 0.60 0.21 -0.80 -2.12 0.00 0.00 175.29 173.18 1yho s ASN 48 N -0.87 6.49 -0.03 5.90 0.01 -1.26 -2.42 114.94 122.76 1yho s ASN 48 Ca 0.12 0.58 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 1yho s ASN 48 Cb -0.11 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 1yho s ASN 48 CO 0.01 0.38 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.76 1yho s LEU 49 N -1.08 3.49 0.12 0.60 0.20 -0.90 -1.48 118.68 119.63 1yho s LEU 49 Ca 0.18 0.03 0.09 0.00 0.69 0.00 0.00 54.13 55.12 1yho s LEU 49 Cb -0.13 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1yho s LEU 49 CO 0.07 0.31 -0.23 0.68 -0.29 0.00 0.00 176.35 176.89 1yho s VAL 50 N -1.01 1.97 -0.19 1.68 -7.23 0.15 -1.09 120.40 114.68 1yho s VAL 50 Ca 0.17 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1yho s VAL 50 Cb -0.11 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1yho s VAL 50 CO 0.07 -0.02 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.05 1yho s ILE 51 N -1.21 2.35 0.28 -0.62 -1.09 -0.43 -1.21 121.20 119.27 1yho s ILE 51 Ca 0.11 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.72 1yho s ILE 51 Cb -0.10 -2.03 -0.06 0.00 -1.58 0.00 0.00 42.46 38.70 1yho s ILE 51 CO 0.05 0.48 -0.08 -0.04 -1.23 0.00 0.00 174.94 174.13 1yho s MET 52 N 1.32 1.57 0.52 2.79 -1.94 0.19 -0.91 119.30 122.84 1yho s MET 52 Ca 0.04 -1.79 0.01 0.00 -1.71 0.00 0.00 55.69 52.25 1yho s MET 52 Cb -0.14 -1.26 0.03 0.00 2.01 0.00 0.00 34.83 35.47 1yho s MET 52 CO -0.11 0.08 0.74 0.20 -0.01 0.00 0.00 175.02 175.93 1yho s GLY 53 N -3.46 1.78 0.31 -0.03 0.00 0.30 -1.45 107.32 104.77 1yho s GLY 53 Ca 0.29 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 1yho s GLY 53 CO 0.12 -1.04 1.98 1.70 0.00 0.00 0.00 173.10 175.86 1yho h LYS 54 N 0.17 1.01 -0.14 2.90 3.64 -1.89 -0.75 116.57 121.51 1yho h LYS 54 Ca -0.43 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1yho h LYS 54 Cb 1.29 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1yho h LYS 54 CO 0.53 0.67 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.13 1yho h LYS 55 N 1.04 0.26 -0.46 1.90 3.64 -1.94 -2.14 116.57 118.86 1yho h LYS 55 Ca 0.28 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1yho h LYS 55 Cb -0.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1yho h LYS 55 CO -0.06 0.54 0.28 1.15 -2.27 0.00 0.00 179.45 179.09 1yho h THR 56 N -0.04 1.14 -0.82 1.00 2.02 -1.84 0.04 112.91 114.40 1yho h THR 56 Ca 0.04 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1yho h THR 56 Cb 0.44 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1yho h THR 56 CO 0.01 0.14 0.53 -0.25 0.37 0.00 0.00 175.52 176.32 1yho h TRP 57 N 0.62 1.00 0.00 3.16 2.91 -1.13 -0.88 115.95 121.63 1yho h TRP 57 Ca 0.17 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1yho h TRP 57 Cb -0.02 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.30 1yho h TRP 57 CO -0.03 0.59 0.00 0.74 -1.03 0.00 0.00 178.44 178.71 1yho h PHE 58 N 1.05 0.00 0.00 2.65 -1.00 -1.01 -3.07 116.94 115.56 1yho h PHE 58 Ca 0.32 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.91 1yho h PHE 58 Cb -0.03 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 1yho h PHE 58 CO -0.02 0.00 -0.98 1.03 -1.61 0.00 0.00 178.31 176.73 1yho h SER 59 N 0.00 0.00 -3.39 2.17 0.87 0.32 -3.45 113.55 110.06 1yho h SER 59 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1yho h SER 59 Cb 0.71 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1yho h SER 59 CO 0.00 0.82 0.60 -0.63 -0.53 0.00 0.00 176.83 177.09 1yho s ILE 60 N -2.79 3.46 0.65 2.23 1.01 -0.58 -5.02 121.20 120.16 1yho s ILE 60 Ca 0.01 1.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 1yho s ILE 60 Cb 0.09 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1yho s ILE 60 CO 0.80 0.17 1.04 -2.16 0.00 0.00 0.00 174.94 174.79 1yho s PRO 61 N 0.00 3.34 0.56 2.79 0.04 -1.26 -4.84 135.00 135.64 1yho s PRO 61 Ca 0.55 0.82 0.29 0.00 0.04 0.00 0.00 61.00 62.70 1yho s PRO 61 Cb -0.34 -2.05 1.68 0.00 0.04 0.00 0.00 34.50 33.84 1yho s PRO 61 CO 0.36 -0.78 2.18 0.93 0.04 0.00 0.00 177.00 179.73 1yho h GLU 62 N -0.48 0.00 -0.75 4.56 3.07 -1.96 0.12 114.58 119.16 1yho h GLU 62 Ca -0.44 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.55 1yho h GLU 62 Cb 1.20 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 1yho h GLU 62 CO 0.60 0.05 0.49 0.87 -1.40 0.00 0.00 179.01 179.63 1yho h LYS 63 N 0.00 0.49 0.00 2.33 1.57 -1.99 -2.89 116.57 116.08 1yho h LYS 63 Ca -0.00 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1yho h LYS 63 Cb 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1yho h LYS 63 CO 0.01 0.32 -1.90 0.09 -0.57 0.00 0.00 179.45 177.40 1yho n ASN 64 N -4.49 1.73 -4.74 0.86 3.02 -0.86 -4.98 115.26 105.79 1yho n ASN 64 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 1yho n ASN 64 Cb 0.45 0.85 -0.05 0.00 -0.61 0.00 0.00 39.78 40.42 1yho n ASN 64 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yho s ARG 65 N -2.34 4.74 0.43 3.52 3.52 -0.02 -1.92 118.95 126.88 1yho s ARG 65 Ca -0.07 1.41 -0.24 0.00 -0.13 0.00 0.00 55.73 56.71 1yho s ARG 65 Cb 0.04 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 30.03 1yho s ARG 65 CO 0.54 0.39 1.21 -1.25 -0.81 0.00 0.00 175.30 175.38 1yho s PRO 66 N -0.63 3.88 -0.82 5.12 0.04 -1.26 -4.63 135.00 136.70 1yho s PRO 66 Ca 0.43 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 63.13 1yho s PRO 66 Cb -0.24 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1yho s PRO 66 CO 0.30 -0.49 1.74 -0.51 0.04 0.00 0.00 177.00 178.08 1yho s LEU 67 N -2.72 3.26 0.84 -3.56 2.01 -0.81 -4.97 118.68 112.73 1yho s LEU 67 Ca 0.60 -0.50 -0.11 0.00 0.01 0.00 0.00 54.13 54.14 1yho s LEU 67 Cb -0.32 -2.55 0.10 0.00 0.01 0.00 0.00 46.19 43.42 1yho s LEU 67 CO 0.40 -2.29 1.09 -0.75 1.01 0.00 0.00 176.35 175.82 1yho s LYS 68 N 6.47 1.70 0.00 1.70 2.47 -1.26 -3.76 119.74 127.06 1yho s LYS 68 Ca 0.60 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 1yho s LYS 68 Cb -0.07 -1.84 0.00 0.00 -1.46 0.00 0.00 37.83 34.45 1yho s LYS 68 CO 0.06 -2.00 0.00 0.41 0.16 0.00 0.00 175.35 173.98 1yho n GLY 69 N -1.06 3.02 3.11 5.54 0.00 -1.26 -4.99 105.19 109.54 1yho n GLY 69 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1yho n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yho s ARG 70 N -0.20 0.46 -0.22 1.61 1.70 -1.25 -4.62 118.95 116.44 1yho s ARG 70 Ca 0.00 -0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 54.66 1yho s ARG 70 Cb 0.00 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1yho s ARG 70 CO 0.00 -0.11 1.38 0.42 -1.08 0.00 0.00 175.30 175.92 1yho s ILE 71 N -1.20 4.05 -0.17 4.99 -1.09 -0.55 -4.85 121.20 122.38 1yho s ILE 71 Ca -0.13 1.22 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 1yho s ILE 71 Cb -0.07 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1yho s ILE 71 CO 0.02 -0.29 0.45 0.20 -1.23 0.00 0.00 174.94 174.09 1yho s ASN 72 N 2.85 6.56 -0.08 3.58 0.01 -1.26 0.34 114.94 126.94 1yho s ASN 72 Ca 0.60 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 53.45 1yho s ASN 72 Cb -0.21 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.19 1yho s ASN 72 CO 0.22 -0.06 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.35 1yho s LEU 73 N 1.06 1.87 -0.07 0.60 0.20 -0.35 -1.06 118.68 120.94 1yho s LEU 73 Ca 0.23 -0.43 -0.02 0.00 0.69 0.00 0.00 54.13 54.60 1yho s LEU 73 Cb -0.15 -1.12 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 1yho s LEU 73 CO 0.09 0.10 0.02 -0.69 -0.29 0.00 0.00 176.35 175.58 1yho s VAL 74 N 0.48 4.42 -0.27 1.68 1.01 -0.79 0.53 120.40 127.45 1yho s VAL 74 Ca -0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1yho s VAL 74 Cb -0.17 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1yho s VAL 74 CO 0.06 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1yho s LEU 75 N -1.08 3.66 -0.12 3.92 1.43 -0.53 -1.47 118.68 124.49 1yho s LEU 75 Ca 0.15 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1yho s LEU 75 Cb -0.11 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1yho s LEU 75 CO 0.05 -0.10 0.31 -0.55 0.23 0.00 0.00 176.35 176.29 1yho s SER 76 N 1.60 -0.34 -0.16 2.29 0.15 -0.08 -3.45 113.70 113.71 1yho s SER 76 Ca 0.05 0.65 0.18 0.00 0.70 0.00 0.00 55.95 57.54 1yho s SER 76 Cb -0.16 0.61 -0.26 0.00 -1.71 0.00 0.00 66.02 64.50 1yho s SER 76 CO 0.04 -0.14 0.15 0.54 1.20 0.00 0.00 173.24 175.04 1yho n ARG 77 N 3.45 0.78 0.08 5.44 5.12 -1.26 -3.86 116.66 126.40 1yho n ARG 77 Ca -0.18 -0.05 -0.19 0.00 -1.93 0.00 0.00 57.85 55.51 1yho n ARG 77 Cb 0.56 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.22 1yho n ARG 77 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1yho h GLU 78 N 0.00 0.31 -6.98 5.56 5.08 -1.96 -3.46 114.58 113.13 1yho h GLU 78 Ca -0.42 -0.53 -0.49 0.00 -1.00 0.00 0.00 59.36 56.92 1yho h GLU 78 Cb 1.94 0.20 0.03 0.00 0.50 0.00 0.00 28.75 31.42 1yho h GLU 78 CO 0.02 1.20 0.44 -1.17 -1.00 0.00 0.00 179.01 178.50 1yho s LEU 79 N -7.12 4.09 -0.24 1.33 2.96 -1.26 -4.98 118.68 113.46 1yho s LEU 79 Ca -0.10 2.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 1yho s LEU 79 Cb 0.06 -4.21 -0.15 0.00 0.50 0.00 0.00 46.19 42.39 1yho s LEU 79 CO 0.87 -0.64 -0.22 0.29 -1.32 0.00 0.00 176.35 175.32 1yho n LYS 80 N -0.23 0.59 -4.09 1.98 5.02 -1.26 -4.93 118.16 115.24 1yho n LYS 80 Ca 0.06 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.21 1yho n LYS 80 Cb 0.49 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yho s GLU 81 N -2.48 2.79 0.25 1.97 2.02 -1.26 -5.08 118.70 116.90 1yho s GLU 81 Ca -0.33 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 1yho s GLU 81 Cb 0.09 -2.63 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 1yho s GLU 81 CO 0.55 0.52 1.27 -1.25 0.02 0.00 0.00 175.26 176.37 1yho s PRO 82 N -2.68 4.42 0.74 0.39 0.04 -1.26 -4.99 135.00 131.66 1yho s PRO 82 Ca 0.29 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 1yho s PRO 82 Cb -0.11 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1yho s PRO 82 CO 0.22 -0.16 0.75 -2.30 0.04 0.00 0.00 177.00 175.54 1yho n PRO 83 N 1.88 0.33 -1.70 0.56 -0.02 -1.26 -4.85 135.00 129.95 1yho n PRO 83 Ca 0.03 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1yho n PRO 83 Cb 0.43 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1yho n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1yho s GLN 84 N -3.14 4.14 0.00 -0.52 2.00 -1.26 -1.49 119.66 119.38 1yho s GLN 84 Ca 0.69 2.60 0.00 0.00 -2.00 0.00 0.00 55.36 56.65 1yho s GLN 84 Cb -0.33 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 29.68 1yho s GLN 84 CO 0.55 -0.88 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 1yho n GLY 85 N 4.34 3.25 3.77 2.59 0.00 -1.26 -4.93 105.19 112.95 1yho n GLY 85 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.31 0.08 4.61 0.00 -0.56 -4.72 121.76 121.56 1yho s ALA 86 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1yho s ALA 86 Cb 0.00 -3.34 -0.21 0.00 0.00 0.00 0.00 23.12 19.56 1yho s ALA 86 CO 0.00 -0.29 1.21 0.45 0.00 0.00 0.00 175.76 177.13 1yho h HIS 87 N 3.32 1.04 -3.27 0.00 3.86 -1.41 -3.46 115.15 115.22 1yho h HIS 87 Ca -0.48 -0.54 -0.04 0.00 -1.16 0.00 0.00 60.37 58.15 1yho h HIS 87 Cb 1.22 -0.13 -0.13 0.00 1.06 0.00 0.00 27.41 29.43 1yho h HIS 87 CO 0.58 1.37 0.00 -0.06 0.86 0.00 0.00 177.93 180.68 1yho s PHE 88 N -3.43 -0.30 -0.03 2.45 0.08 -1.16 -5.04 117.98 110.55 1yho s PHE 88 Ca -0.10 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1yho s PHE 88 Cb 0.07 0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.86 1yho s PHE 88 CO 0.91 -0.73 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.02 1yho s LEU 89 N -2.75 1.80 0.09 -0.37 2.96 -1.26 -1.89 118.68 117.25 1yho s LEU 89 Ca 0.02 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1yho s LEU 89 Cb 0.01 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 1yho s LEU 89 CO -0.12 0.08 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.27 1yho s SER 90 N 0.20 2.11 -0.01 3.68 0.15 -0.54 -4.97 113.70 114.32 1yho s SER 90 Ca -0.04 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.03 1yho s SER 90 Cb -0.10 -0.10 -0.24 0.00 -1.71 0.00 0.00 66.02 63.88 1yho s SER 90 CO 0.01 -0.01 0.77 0.03 1.20 0.00 0.00 173.24 175.25 1yho h ARG 91 N 4.19 0.08 -4.05 5.44 3.08 -1.88 -0.17 114.38 121.06 1yho h ARG 91 Ca -0.44 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.38 1yho h ARG 91 Cb 1.19 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.14 1yho h ARG 91 CO 0.40 0.77 -0.55 -1.12 -1.07 0.00 0.00 179.97 178.40 1yho s SER 92 N -6.47 0.33 0.42 7.04 0.01 -1.26 -4.45 113.70 109.33 1yho s SER 92 Ca -0.06 -0.84 0.11 0.00 1.31 0.00 0.00 55.95 56.46 1yho s SER 92 Cb 0.08 0.25 0.92 0.00 0.21 0.00 0.00 66.02 67.48 1yho s SER 92 CO 0.82 -0.64 2.00 -0.07 0.41 0.00 0.00 173.24 175.76 1yho h LEU 93 N 3.03 0.21 -0.63 2.44 4.07 -1.99 -2.26 115.31 120.18 1yho h LEU 93 Ca -0.34 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.60 1yho h LEU 93 Cb 1.17 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1yho h LEU 93 CO 0.61 0.28 0.42 0.44 -1.08 0.00 0.00 178.44 179.11 1yho h ASP 94 N 0.23 0.72 -0.05 -0.43 5.19 -1.98 0.41 116.42 120.51 1yho h ASP 94 Ca 0.05 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1yho h ASP 94 Cb 0.20 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 1yho h ASP 94 CO 0.01 0.52 -0.05 -0.78 -3.12 0.00 0.00 179.24 175.82 1yho h ASP 95 N 0.85 0.13 -0.88 6.45 3.58 -1.87 -1.80 116.42 122.88 1yho h ASP 95 Ca 0.23 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1yho h ASP 95 Cb -0.09 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1yho h ASP 95 CO -0.05 0.59 0.50 0.00 -2.88 0.00 0.00 179.24 177.40 1yho h ALA 96 N 0.54 1.22 -0.36 -0.78 0.00 -1.27 -2.12 119.26 116.48 1yho h ALA 96 Ca 0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1yho h ALA 96 Cb 0.56 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1yho h ALA 96 CO 0.01 0.64 -0.19 -0.07 0.00 0.00 0.00 179.25 179.65 1yho h LEU 97 N 1.23 0.68 -0.66 0.00 3.38 -0.18 -2.34 115.31 117.42 1yho h LEU 97 Ca 0.31 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1yho h LEU 97 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1yho h LEU 97 CO -0.05 0.87 0.19 0.50 0.09 0.00 0.00 178.44 180.03 1yho h LYS 98 N 0.61 1.03 -0.38 1.13 3.11 -0.76 0.26 116.57 121.57 1yho h LYS 98 Ca 0.09 -0.23 -0.05 0.00 -2.81 0.00 0.00 60.65 57.65 1yho h LYS 98 Cb 0.65 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1yho h LYS 98 CO 0.05 0.91 0.03 -0.07 -2.81 0.00 0.00 179.45 177.56 1yho h LEU 99 N 0.96 0.63 -1.20 5.20 3.38 -1.23 0.11 115.31 123.16 1yho h LEU 99 Ca 0.21 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1yho h LEU 99 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1yho h LEU 99 CO -0.00 0.76 -0.32 0.74 0.09 0.00 0.00 178.44 179.71 1yho h THR 100 N 0.48 0.88 0.00 0.22 2.02 -1.26 -2.75 112.91 112.50 1yho h THR 100 Ca 0.11 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1yho h THR 100 Cb 0.42 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1yho h THR 100 CO 0.01 0.31 -0.71 -0.08 0.37 0.00 0.00 175.52 175.42 1yho h GLU 101 N 0.00 0.00 -6.98 6.66 4.81 -0.65 -3.37 114.58 115.05 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.69 1yho h GLU 101 Cb 0.73 0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.21 1yho h GLU 101 CO 0.04 0.09 0.63 -1.14 -0.73 0.00 0.00 179.01 177.90 1yho s GLN 102 N -3.22 3.75 0.45 1.92 0.74 0.35 -4.78 119.66 118.87 1yho s GLN 102 Ca 0.02 2.21 0.17 0.00 0.05 0.00 0.00 55.36 57.81 1yho s GLN 102 Cb 0.08 -2.63 1.04 0.00 1.10 0.00 0.00 33.01 32.60 1yho s GLN 102 CO 0.75 -0.69 1.97 -1.00 -0.55 0.00 0.00 175.29 175.78 1yho h PRO 103 N 2.35 0.00 -0.60 1.67 0.13 -1.90 0.70 132.00 134.35 1yho h PRO 103 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1yho h PRO 103 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1yho h PRO 103 CO 0.61 0.21 0.31 1.49 -0.23 0.00 0.00 178.00 180.40 1yho h GLU 104 N 0.00 0.84 0.00 0.86 4.22 -1.91 -3.05 114.58 115.54 1yho h GLU 104 Ca -0.00 -0.09 -0.19 0.00 0.08 0.00 0.00 59.36 59.16 1yho h GLU 104 Cb 0.40 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1yho h GLU 104 CO 0.03 0.63 -2.09 1.28 -2.18 0.00 0.00 179.01 176.68 1yho n LEU 105 N -4.37 0.00 0.16 1.64 4.32 -0.99 -4.35 117.00 113.40 1yho n LEU 105 Ca 0.06 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.23 1yho n LEU 105 Cb 0.11 0.25 0.79 0.00 -1.62 0.00 0.00 43.42 42.96 1yho n LEU 105 CO 0.37 0.25 1.16 0.00 -1.22 0.00 0.00 177.39 177.96 1yho h ALA 106 N 1.27 1.93 -0.01 -1.18 0.00 0.50 0.58 119.26 122.36 1yho h ALA 106 Ca -0.28 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1yho h ALA 106 Cb 1.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1yho h ALA 106 CO 0.02 -0.42 -0.59 -0.97 0.00 0.00 0.00 179.25 177.29 1yho h ASN 107 N 0.00 0.02 0.14 0.00 -0.73 -1.73 -3.24 115.58 110.04 1yho h ASN 107 Ca 0.12 -0.01 -0.34 0.00 1.87 0.00 0.00 56.30 57.94 1yho h ASN 107 Cb 0.68 -0.01 -0.06 0.00 0.27 0.00 0.00 38.32 39.20 1yho h ASN 107 CO -0.00 0.60 -2.19 0.29 -0.37 0.00 0.00 177.43 175.77 1yho n LYS 108 N -3.85 0.67 -4.40 6.67 4.76 0.51 -4.89 118.16 117.65 1yho n LYS 108 Ca -0.01 0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.16 1yho n LYS 108 Cb 0.59 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 32.09 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yho s VAL 109 N -2.55 4.17 0.03 -0.18 1.01 0.17 -2.29 120.40 120.76 1yho s VAL 109 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1yho s VAL 109 Cb 0.07 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1yho s VAL 109 CO 0.83 0.55 -0.03 -0.67 0.00 0.00 0.00 175.10 175.77 1yho n ASP 110 N 1.96 0.74 -4.57 3.32 -0.08 -1.02 -4.41 116.55 112.49 1yho n ASP 110 Ca -0.17 0.10 -0.27 0.00 -1.51 0.00 0.00 54.79 52.94 1yho n ASP 110 Cb 0.53 -0.27 -0.09 0.00 2.34 0.00 0.00 41.12 43.63 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 -1.68 2.06 -0.16 -0.67 -1.94 -1.26 -3.27 119.30 112.39 1yho s MET 111 Ca -0.03 -1.27 0.01 0.00 -1.71 0.00 0.00 55.69 52.69 1yho s MET 111 Cb 0.00 -2.16 0.01 0.00 2.01 0.00 0.00 34.83 34.69 1yho s MET 111 CO 0.04 0.43 -0.17 0.08 -0.01 0.00 0.00 175.02 175.39 1yho s VAL 112 N -1.72 2.42 -0.21 -6.03 1.01 -0.11 -2.11 120.40 113.65 1yho s VAL 112 Ca 0.25 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1yho s VAL 112 Cb -0.09 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1yho s VAL 112 CO 0.15 0.52 -0.05 0.26 0.00 0.00 0.00 175.10 175.99 1yho s TRP 113 N 1.00 2.95 -0.20 5.22 0.52 -0.25 0.18 118.94 128.36 1yho s TRP 113 Ca -0.02 -0.90 -0.23 0.00 0.02 0.00 0.00 56.10 54.97 1yho s TRP 113 Cb -0.15 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1yho s TRP 113 CO -0.04 -0.51 0.73 0.42 0.02 0.00 0.00 176.95 177.57 1yho s ILE 114 N 1.39 4.94 -0.05 2.03 1.09 0.23 -1.31 121.20 129.52 1yho s ILE 114 Ca 0.05 1.40 -0.04 0.00 -1.10 0.00 0.00 60.65 60.96 1yho s ILE 114 Cb -0.14 -4.04 -0.01 0.00 -1.06 0.00 0.00 42.46 37.20 1yho s ILE 114 CO -0.03 0.04 -0.07 0.52 -0.10 0.00 0.00 174.94 175.30 1yho n VAL 115 N 4.85 0.42 -3.85 2.92 0.31 -0.09 -2.24 118.33 120.65 1yho n VAL 115 Ca 0.02 0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 64.68 1yho n VAL 115 Cb 0.49 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1yho n VAL 115 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yho s GLY 116 N -3.23 0.23 0.00 2.92 0.00 -1.21 -4.69 107.32 101.33 1yho s GLY 116 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1yho s GLY 116 CO 0.09 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1yho n GLY 117 N -0.50 1.72 0.26 0.20 0.00 -1.26 0.11 105.19 105.72 1yho n GLY 117 Ca -0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.41 -0.47 1.61 4.64 -1.99 -2.29 113.55 115.47 1yho h SER 118 Ca 0.00 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1yho h SER 118 Cb 0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1yho h SER 118 CO 0.00 0.53 0.29 0.28 -0.87 0.00 0.00 176.83 177.06 1yho h SER 119 N 0.42 0.48 -0.22 4.97 0.02 -2.00 -0.60 113.55 116.62 1yho h SER 119 Ca 0.09 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1yho h SER 119 Cb 0.37 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1yho h SER 119 CO 0.02 0.35 -0.27 0.58 -1.14 0.00 0.00 176.83 176.36 1yho h VAL 120 N 0.59 1.28 -0.76 2.27 2.07 -1.79 -2.32 116.25 117.59 1yho h VAL 120 Ca 0.18 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1yho h VAL 120 Cb -0.02 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1yho h VAL 120 CO -0.07 0.45 0.29 0.22 0.02 0.00 0.00 177.57 178.49 1yho h TYR 121 N 0.61 1.15 -0.36 1.57 3.20 -0.91 -2.19 116.97 120.03 1yho h TYR 121 Ca 0.08 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1yho h TYR 121 Cb 0.77 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1yho h TYR 121 CO 0.04 0.88 -0.20 -0.22 -1.64 0.00 0.00 178.16 177.01 1yho h LYS 122 N 1.10 0.78 -0.34 1.82 3.64 -0.96 -1.34 116.57 121.27 1yho h LYS 122 Ca 0.25 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1yho h LYS 122 Cb 0.22 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1yho h LYS 122 CO -0.02 0.98 0.17 0.93 -2.27 0.00 0.00 179.45 179.23 1yho h GLU 123 N 0.57 0.34 0.00 1.90 3.07 -1.18 -2.06 114.58 117.22 1yho h GLU 123 Ca 0.08 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 1yho h GLU 123 Cb 0.76 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1yho h GLU 123 CO 0.06 0.22 -0.45 0.00 -1.40 0.00 0.00 179.01 177.44 1yho h ALA 124 N 1.18 1.13 0.00 3.43 0.00 -1.38 -2.78 119.26 120.84 1yho h ALA 124 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1yho h ALA 124 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1yho h ALA 124 CO -0.10 0.56 0.00 1.98 0.00 0.00 0.00 179.25 181.69 1yho h MET 125 N 0.00 0.00 -0.73 0.00 -1.53 -0.50 -0.56 114.93 111.61 1yho h MET 125 Ca -0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1yho h MET 125 Cb 0.86 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.89 1yho h MET 125 CO 0.06 0.00 0.05 0.09 0.14 0.00 0.00 176.91 177.25 1yho n ASN 126 N -3.01 4.31 -4.70 1.39 3.02 -1.05 -4.90 115.26 110.31 1yho n ASN 126 Ca -0.03 -2.72 -0.38 0.00 -0.03 0.00 0.00 54.58 51.42 1yho n ASN 126 Cb 0.08 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.27 3.45 0.11 3.10 3.76 -0.22 -4.98 115.29 118.23 1yho s HIS 127 Ca 0.39 0.78 -0.06 0.00 -0.15 0.00 0.00 55.06 56.02 1yho s HIS 127 Cb 0.30 -2.56 -0.15 0.00 1.11 0.00 0.00 32.58 31.28 1yho s HIS 127 CO 0.11 0.07 1.25 -1.00 -0.85 0.00 0.00 174.74 174.33 1yho h PRO 128 N 7.03 0.45 -7.02 8.40 0.13 -1.90 -3.47 132.00 135.63 1yho h PRO 128 Ca -0.38 -0.52 -0.43 0.00 -0.87 0.00 0.00 66.00 63.80 1yho h PRO 128 Cb 1.17 0.16 0.22 0.00 0.13 0.00 0.00 31.00 32.68 1yho h PRO 128 CO 0.74 1.17 -0.25 0.41 -0.23 0.00 0.00 178.00 179.85 1yho n GLY 129 N 1.06 -2.29 3.70 1.56 0.00 -1.26 -4.59 105.19 103.37 1yho n GLY 129 Ca -0.08 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1yho n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1yho s HIS 130 N -2.34 2.56 -0.08 1.61 2.46 -1.26 -4.87 115.29 113.36 1yho s HIS 130 Ca 0.66 0.22 -0.09 0.00 0.47 0.00 0.00 55.06 56.32 1yho s HIS 130 Cb -0.23 -4.12 0.02 0.00 -0.13 0.00 0.00 32.58 28.13 1yho s HIS 130 CO 0.66 -4.41 0.24 -1.17 -2.47 0.00 0.00 174.74 167.58 1yho s LEU 131 N 1.97 1.10 -0.25 8.88 0.20 -1.26 -4.29 118.68 125.03 1yho s LEU 131 Ca 0.77 0.39 -0.10 0.00 0.69 0.00 0.00 54.13 55.87 1yho s LEU 131 Cb -0.47 0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 46.10 1yho s LEU 131 CO 0.34 -0.14 0.16 -0.54 -0.29 0.00 0.00 176.35 175.87 1yho s LYS 132 N -0.15 4.02 -0.30 1.98 1.02 -0.91 -1.03 119.74 124.38 1yho s LYS 132 Ca -0.03 -0.29 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 1yho s LYS 132 Cb -0.03 -3.54 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1yho s LYS 132 CO 0.01 0.00 0.06 -1.17 -0.92 0.00 0.00 175.35 173.33 1yho s LEU 133 N 1.22 3.83 -0.27 3.17 0.20 0.26 0.10 118.68 127.20 1yho s LEU 133 Ca 0.07 -0.85 -0.06 0.00 0.69 0.00 0.00 54.13 53.98 1yho s LEU 133 Cb -0.14 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1yho s LEU 133 CO 0.06 -0.21 0.05 -0.36 -0.29 0.00 0.00 176.35 175.60 1yho s PHE 134 N 1.44 3.09 -0.08 5.38 0.40 0.27 0.10 117.98 128.59 1yho s PHE 134 Ca 0.01 -0.84 0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1yho s PHE 134 Cb -0.18 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1yho s PHE 134 CO 0.01 -0.52 -0.21 0.14 0.70 0.00 0.00 175.22 175.34 1yho s VAL 135 N 1.52 1.78 -0.24 -0.44 -7.23 -0.44 -0.77 120.40 114.60 1yho s VAL 135 Ca 0.04 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1yho s VAL 135 Cb -0.16 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1yho s VAL 135 CO 0.01 0.50 0.04 -0.89 -0.31 0.00 0.00 175.10 174.46 1yho s THR 136 N 0.29 4.12 -0.17 5.32 2.01 -0.80 -1.27 115.64 125.14 1yho s THR 136 Ca -0.14 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.46 1yho s THR 136 Cb -0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1yho s THR 136 CO 0.06 0.37 0.39 -0.60 -0.69 0.00 0.00 174.62 174.15 1yho s ARG 137 N 1.47 4.23 -0.37 4.92 3.52 -0.56 0.55 118.95 132.71 1yho s ARG 137 Ca 0.05 0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 1yho s ARG 137 Cb -0.15 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1yho s ARG 137 CO 0.02 0.07 0.22 0.42 -0.81 0.00 0.00 175.30 175.23 1yho s ILE 138 N 0.96 4.79 -1.21 4.11 -1.09 -0.44 -1.13 121.20 127.19 1yho s ILE 138 Ca 0.20 -0.72 -0.21 0.00 -2.23 0.00 0.00 60.65 57.69 1yho s ILE 138 Cb -0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1yho s ILE 138 CO 0.07 -0.20 1.85 -0.04 -1.23 0.00 0.00 174.94 175.39 1yho s MET 139 N 1.60 3.05 -0.29 2.79 -1.94 0.82 -1.34 119.30 124.00 1yho s MET 139 Ca 0.03 -1.43 -0.16 0.00 -1.71 0.00 0.00 55.69 52.43 1yho s MET 139 Cb -0.19 -5.34 0.15 0.00 2.01 0.00 0.00 34.83 31.46 1yho s MET 139 CO 0.08 -3.31 0.98 -1.14 -0.01 0.00 0.00 175.02 171.62 1yho s GLN 140 N 5.66 0.35 0.06 2.03 2.00 -1.26 -4.05 119.66 124.45 1yho s GLN 140 Ca 0.63 0.67 -0.31 0.00 -2.00 0.00 0.00 55.36 54.35 1yho s GLN 140 Cb 0.01 0.18 -0.07 0.00 0.80 0.00 0.00 33.01 33.93 1yho s GLN 140 CO 0.10 -0.08 1.41 -0.51 -0.50 0.00 0.00 175.29 175.71 1yho s ASP 141 N 1.66 6.82 0.12 6.67 1.11 -1.26 -4.36 116.67 127.43 1yho s ASP 141 Ca -0.07 2.24 -0.15 0.00 0.18 0.00 0.00 52.55 54.75 1yho s ASP 141 Cb -0.04 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.40 1yho s ASP 141 CO -0.16 -0.70 0.37 -0.36 1.18 0.00 0.00 175.17 175.51 1yho s PHE 142 N 1.79 -0.13 -0.19 4.23 0.08 -1.26 -5.08 117.98 117.42 1yho s PHE 142 Ca 0.65 -0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.34 1yho s PHE 142 Cb -0.35 0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 1yho s PHE 142 CO 0.29 -0.68 0.32 -2.00 -0.10 0.00 0.00 175.22 173.05 1yho s GLU 143 N -3.82 4.20 0.05 0.44 2.12 -1.26 -4.87 118.70 115.55 1yho s GLU 143 Ca 0.04 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1yho s GLU 143 Cb 0.02 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1yho s GLU 143 CO -0.11 0.09 -0.11 -1.12 -0.54 0.00 0.00 175.26 173.47 1yho s SER 144 N 0.81 1.32 -0.17 -1.70 0.01 -1.26 -4.70 113.70 108.02 1yho s SER 144 Ca 0.16 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.97 1yho s SER 144 Cb -0.14 -0.04 -0.22 0.00 0.21 0.00 0.00 66.02 65.83 1yho s SER 144 CO 0.06 -0.08 0.17 0.47 0.41 0.00 0.00 173.24 174.27 1yho n ASP 145 N 1.64 1.38 -4.53 2.44 9.92 -1.26 -4.87 116.55 121.27 1yho n ASP 145 Ca -0.20 0.09 -0.37 0.00 -0.53 0.00 0.00 54.79 53.78 1yho n ASP 145 Cb 0.55 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.74 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1yho s THR 146 N -2.54 4.82 0.08 -3.53 2.01 -1.26 -5.09 115.64 110.13 1yho s THR 146 Ca -0.20 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1yho s THR 146 Cb 0.07 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1yho s THR 146 CO 0.74 0.31 0.25 -0.36 -0.69 0.00 0.00 174.62 174.87 1yho s PHE 147 N 1.56 3.51 -0.14 4.92 0.08 -1.26 -2.84 117.98 123.82 1yho s PHE 147 Ca 0.06 0.34 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 1yho s PHE 147 Cb -0.15 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1yho s PHE 147 CO 0.07 0.55 0.27 0.12 -0.10 0.00 0.00 175.22 176.12 1yho s PHE 148 N -1.54 3.51 0.64 0.36 5.36 0.10 -4.97 117.98 121.46 1yho s PHE 148 Ca 0.36 0.61 -0.17 0.00 -0.96 0.00 0.00 56.93 56.77 1yho s PHE 148 Cb -0.13 -2.25 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1yho s PHE 148 CO 0.27 0.38 0.88 -2.30 -1.46 0.00 0.00 175.22 172.98 1yho n PRO 149 N 3.09 0.69 -2.59 10.12 -0.02 -1.26 -4.93 135.00 140.09 1yho n PRO 149 Ca -0.14 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1yho n PRO 149 Cb 0.52 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.85 4.56 0.27 -0.52 2.12 -1.26 -5.02 118.70 116.01 1yho s GLU 150 Ca 0.74 1.59 -0.29 0.00 0.36 0.00 0.00 54.97 57.37 1yho s GLU 150 Cb -0.39 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.54 1yho s GLU 150 CO 0.49 -0.02 1.00 0.42 -0.54 0.00 0.00 175.26 176.62 1yho s ILE 151 N 0.50 3.86 -0.17 -3.70 1.01 -1.26 -5.03 121.20 116.40 1yho s ILE 151 Ca 0.52 1.82 -0.15 0.00 0.00 0.00 0.00 60.65 62.84 1yho s ILE 151 Cb -0.26 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1yho s ILE 151 CO 0.30 0.39 0.34 -1.81 0.00 0.00 0.00 174.94 174.16 1yho s ASP 152 N -1.13 6.45 0.27 3.58 1.01 -1.26 -4.97 116.67 120.62 1yho s ASP 152 Ca 0.44 0.53 0.14 0.00 0.71 0.00 0.00 52.55 54.37 1yho s ASP 152 Cb -0.27 -2.20 0.11 0.00 1.01 0.00 0.00 42.92 41.56 1yho s ASP 152 CO 0.34 0.04 1.46 -0.07 0.21 0.00 0.00 175.17 177.16 1yho h LEU 153 N 6.94 0.00 -1.57 1.23 3.38 -1.97 -0.11 115.31 123.22 1yho h LEU 153 Ca -0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1yho h LEU 153 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1yho h LEU 153 CO 0.74 0.56 -0.22 -0.08 0.09 0.00 0.00 178.44 179.54 1yho h GLU 154 N 0.00 0.00 0.00 1.13 4.81 -2.01 -3.18 114.58 115.33 1yho h GLU 154 Ca -0.01 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1yho h GLU 154 Cb 1.38 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.70 1yho h GLU 154 CO 0.07 0.22 -2.13 1.17 -0.73 0.00 0.00 179.01 177.62 1yho n LYS 155 N -4.25 1.09 -4.37 1.92 3.00 -1.21 -4.98 118.16 109.35 1yho n LYS 155 Ca -0.02 0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 58.01 1yho n LYS 155 Cb 0.28 -1.41 -0.10 0.00 0.00 0.00 0.00 35.03 33.80 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1yho s TYR 156 N -2.40 2.88 0.01 5.64 1.51 -0.06 -2.26 117.35 122.67 1yho s TYR 156 Ca -0.14 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1yho s TYR 156 Cb 0.06 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1yho s TYR 156 CO 0.60 0.40 0.30 0.15 -1.11 0.00 0.00 175.55 175.88 1yho s LYS 157 N -1.66 3.64 -0.38 -0.62 1.02 0.22 -4.10 119.74 117.85 1yho s LYS 157 Ca 0.19 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.00 1yho s LYS 157 Cb -0.11 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1yho s LYS 157 CO 0.10 0.65 0.70 -1.17 -0.92 0.00 0.00 175.35 174.71 1yho s LEU 158 N -1.61 4.26 -0.51 3.17 0.20 -1.26 -1.99 118.68 120.93 1yho s LEU 158 Ca 0.27 0.08 0.01 0.00 0.69 0.00 0.00 54.13 55.18 1yho s LEU 158 Cb -0.14 -2.86 0.13 0.00 -0.43 0.00 0.00 46.19 42.89 1yho s LEU 158 CO 0.15 -0.70 0.27 -0.76 -0.29 0.00 0.00 176.35 175.01 1yho s LEU 159 N 2.91 4.74 0.04 -0.68 1.43 0.17 -4.96 118.68 122.33 1yho s LEU 159 Ca 0.27 -2.73 -0.21 0.00 -1.03 0.00 0.00 54.13 50.43 1yho s LEU 159 Cb -0.14 -1.72 -0.14 0.00 0.03 0.00 0.00 46.19 44.23 1yho s LEU 159 CO 0.17 -0.32 1.39 1.55 0.23 0.00 0.00 176.35 179.37 1yho h PRO 160 N 6.98 0.31 -4.84 1.29 0.13 -1.92 -1.45 132.00 132.51 1yho h PRO 160 Ca -0.06 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 64.25 1yho h PRO 160 Cb 0.94 -0.01 -0.36 0.00 0.13 0.00 0.00 31.00 31.71 1yho h PRO 160 CO 0.67 0.65 -0.77 -1.21 -0.23 0.00 0.00 178.00 177.11 1yho s GLU 161 N -4.52 2.30 -0.04 0.86 0.41 -1.26 -4.66 118.70 111.79 1yho s GLU 161 Ca -0.14 -1.32 0.06 0.00 -0.41 0.00 0.00 54.97 53.16 1yho s GLU 161 Cb 0.05 -2.98 -0.01 0.00 -1.78 0.00 0.00 34.13 29.41 1yho s GLU 161 CO 0.74 -0.58 -0.21 -0.47 -0.49 0.00 0.00 175.26 174.24 1yho s TYR 162 N 1.15 2.04 0.28 1.61 6.14 -1.26 -5.11 117.35 122.20 1yho s TYR 162 Ca -0.08 -0.52 -0.30 0.00 0.64 0.00 0.00 57.07 56.82 1yho s TYR 162 Cb -0.20 -1.34 -0.13 0.00 0.42 0.00 0.00 41.96 40.71 1yho s TYR 162 CO -0.04 -0.13 1.30 -2.30 0.64 0.00 0.00 175.55 175.03 1yho n PRO 163 N 2.84 1.96 0.00 4.97 -0.02 -1.26 -2.10 135.00 141.39 1yho n PRO 163 Ca -0.17 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1yho n PRO 163 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1yho n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yho n GLY 164 N 1.49 2.74 3.70 -1.23 0.00 -1.26 -5.01 105.19 105.61 1yho n GLY 164 Ca 0.09 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.37 4.61 -0.03 1.61 0.11 -0.89 -5.09 120.40 119.34 1yho s VAL 165 Ca 0.00 -0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.65 1yho s VAL 165 Cb 0.00 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 1yho s VAL 165 CO 0.00 0.57 0.86 -0.76 -3.33 0.00 0.00 175.10 172.44 1yho s LEU 166 N -0.56 4.34 0.00 2.54 1.43 -1.26 -4.39 118.68 120.77 1yho s LEU 166 Ca 0.10 1.45 0.22 0.00 -1.03 0.00 0.00 54.13 54.87 1yho s LEU 166 Cb -0.12 -3.36 0.33 0.00 0.03 0.00 0.00 46.19 43.07 1yho s LEU 166 CO 0.02 -0.21 1.32 -0.24 0.23 0.00 0.00 176.35 177.47 1yho n SER 167 N 3.92 3.22 -4.76 2.29 2.88 -1.26 -4.61 113.62 115.29 1yho n SER 167 Ca 0.03 -1.96 -0.41 0.00 -1.33 0.00 0.00 58.87 55.21 1yho n SER 167 Cb 0.51 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1yho s ASP 168 N -1.55 7.04 -0.20 -3.46 1.11 -1.26 -4.63 116.67 113.71 1yho s ASP 168 Ca 0.33 2.41 -0.29 0.00 0.18 0.00 0.00 52.55 55.18 1yho s ASP 168 Cb 0.21 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1yho s ASP 168 CO 0.29 -0.35 1.46 -0.69 1.18 0.00 0.00 175.17 177.06 1yho s VAL 169 N -0.79 3.92 0.20 -1.27 1.01 -1.26 -4.70 120.40 117.51 1yho s VAL 169 Ca 0.49 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.46 1yho s VAL 169 Cb -0.35 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 1yho s VAL 169 CO 0.43 -0.26 0.49 -1.10 0.00 0.00 0.00 175.10 174.66 1yho s GLN 170 N 4.18 3.74 -0.05 2.72 1.11 -0.58 -4.89 119.66 125.89 1yho s GLN 170 Ca 0.64 0.15 0.00 0.00 0.01 0.00 0.00 55.36 56.17 1yho s GLN 170 Cb -0.23 -2.72 0.02 0.00 -1.01 0.00 0.00 33.01 29.07 1yho s GLN 170 CO 0.24 0.37 -0.03 -2.00 0.01 0.00 0.00 175.29 173.88 1yho s GLU 171 N -2.76 0.79 -0.05 2.91 2.12 -1.26 -1.12 118.70 119.33 1yho s GLU 171 Ca 0.45 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 1yho s GLU 171 Cb -0.12 -0.90 0.04 0.00 0.26 0.00 0.00 34.13 33.42 1yho s GLU 171 CO 0.22 -0.15 0.10 -1.21 -0.54 0.00 0.00 175.26 173.68 1yho s GLU 172 N 1.22 0.01 -1.55 4.30 0.41 -0.05 -4.85 118.70 118.20 1yho s GLU 172 Ca -0.06 0.35 -0.05 0.00 -0.41 0.00 0.00 54.97 54.80 1yho s GLU 172 Cb -0.14 -0.27 0.01 0.00 -1.78 0.00 0.00 34.13 31.95 1yho s GLU 172 CO -0.02 -0.22 0.53 1.17 -0.49 0.00 0.00 175.26 176.23 1yho n LYS 173 N 4.58 -4.39 -1.06 1.61 4.81 -1.26 -0.99 118.16 121.47 1yho n LYS 173 Ca -0.19 0.87 -0.02 0.00 -0.87 0.00 0.00 58.31 58.10 1yho n LYS 173 Cb 0.50 -5.70 -0.01 0.00 0.02 0.00 0.00 35.03 29.85 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yho n GLY 174 N -1.43 0.55 3.17 3.14 0.00 -1.26 -5.01 105.19 104.35 1yho n GLY 174 Ca -0.12 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 2.69 -0.03 -0.61 1.01 -0.16 -5.08 121.20 117.00 1yho s ILE 175 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 1yho s ILE 175 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1yho s ILE 175 CO 0.00 0.17 0.19 -1.59 0.00 0.00 0.00 174.94 173.71 1yho s LYS 176 N 1.28 3.46 0.04 2.79 0.00 -1.26 -0.88 119.74 125.18 1yho s LYS 176 Ca -0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 55.97 55.52 1yho s LYS 176 Cb -0.17 -3.12 0.04 0.00 0.00 0.00 0.00 37.83 34.59 1yho s LYS 176 CO -0.05 0.70 0.46 1.52 0.00 0.00 0.00 175.35 177.97 1yho s TYR 177 N -1.25 -0.34 0.13 1.78 1.13 -0.28 -0.12 117.35 118.40 1yho s TYR 177 Ca 0.24 0.37 0.07 0.00 -1.41 0.00 0.00 57.07 56.34 1yho s TYR 177 Cb -0.13 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 1yho s TYR 177 CO 0.15 -0.59 -0.17 0.21 -2.51 0.00 0.00 175.55 172.64 1yho s LYS 178 N -2.32 1.12 -0.15 -3.49 2.20 -0.28 -1.52 119.74 115.30 1yho s LYS 178 Ca -0.06 -1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 54.21 1yho s LYS 178 Cb -0.01 -1.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 1yho s LYS 178 CO -0.01 0.24 0.13 -0.06 -0.36 0.00 0.00 175.35 175.29 1yho s PHE 179 N -1.82 3.50 -0.05 4.03 0.40 -1.26 -1.50 117.98 121.29 1yho s PHE 179 Ca 0.10 0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1yho s PHE 179 Cb -0.07 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1yho s PHE 179 CO 0.05 0.56 -0.15 -1.21 0.70 0.00 0.00 175.22 175.16 1yho s GLU 180 N -0.51 1.68 -0.11 0.44 2.02 -0.40 -4.82 118.70 117.00 1yho s GLU 180 Ca 0.12 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1yho s GLU 180 Cb -0.12 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 1yho s GLU 180 CO 0.02 0.16 -0.07 0.08 0.02 0.00 0.00 175.26 175.47 1yho s VAL 181 N 0.24 3.66 -0.03 2.63 1.01 -0.55 -1.32 120.40 126.05 1yho s VAL 181 Ca -0.07 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1yho s VAL 181 Cb -0.12 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1yho s VAL 181 CO 0.03 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 1yho s TYR 182 N -0.15 1.44 0.06 5.22 1.51 0.29 0.43 117.35 126.15 1yho s TYR 182 Ca 0.02 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1yho s TYR 182 Cb -0.13 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1yho s TYR 182 CO 0.03 -0.09 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.24 1yho s GLU 183 N -0.12 2.15 -0.23 -0.62 2.12 -0.84 0.93 118.70 122.09 1yho s GLU 183 Ca 0.01 -0.96 -0.10 0.00 0.36 0.00 0.00 54.97 54.28 1yho s GLU 183 Cb -0.08 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.99 1yho s GLU 183 CO 0.01 0.54 0.13 0.21 -0.54 0.00 0.00 175.26 175.60 1yho s LYS 184 N -1.69 4.02 0.36 4.30 2.36 -0.20 0.69 119.74 129.58 1yho s LYS 184 Ca 0.17 -0.30 -0.26 0.00 -2.55 0.00 0.00 55.97 53.03 1yho s LYS 184 Cb -0.11 -3.44 -0.09 0.00 -1.05 0.00 0.00 37.83 33.14 1yho s LYS 184 CO 0.08 0.09 1.11 1.21 1.55 0.00 0.00 175.35 179.40 1yho s ASN 185 N 0.93 6.85 0.00 1.43 3.84 -0.96 -4.12 114.94 122.90 1yho s ASN 185 Ca 0.06 2.23 0.23 0.00 0.21 0.00 0.00 52.86 55.60 1yho s ASN 185 Cb -0.13 -2.61 0.19 0.00 -0.55 0.00 0.00 41.25 38.14 1yho s ASN 185 CO 0.03 -0.44 1.24 -0.67 -2.79 0.00 0.00 177.10 174.48