#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 0.19 3.77 7.55 0.00 -1.19 -4.97 105.19 110.54 1yho n GLY 2 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1yho n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yho s SER 3 N -2.28 5.93 -0.13 1.61 0.15 -1.26 -5.05 113.70 112.68 1yho s SER 3 Ca 0.00 0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.96 1yho s SER 3 Cb 0.00 -1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1yho s SER 3 CO 0.00 0.34 -0.18 -0.76 1.20 0.00 0.00 173.24 173.84 1yho s LEU 4 N -0.61 2.39 -0.12 3.45 1.02 -1.26 -1.44 118.68 122.10 1yho s LEU 4 Ca 0.12 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.81 1yho s LEU 4 Cb -0.12 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1yho s LEU 4 CO 0.02 0.13 -0.17 0.20 0.02 0.00 0.00 176.35 176.56 1yho s ASN 5 N 0.52 2.68 -0.14 2.29 -0.87 -0.12 -2.23 114.94 117.07 1yho s ASN 5 Ca -0.12 -0.49 -0.07 0.00 -1.57 0.00 0.00 52.86 50.61 1yho s ASN 5 Cb -0.16 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.25 39.81 1yho s ASN 5 CO 0.05 0.02 0.12 0.00 -2.57 0.00 0.00 177.10 174.72 1yho s ILE 7 N -0.57 -0.22 0.03 0.00 2.07 -0.90 0.11 121.20 121.73 1yho s ILE 7 Ca 0.12 -0.07 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 1yho s ILE 7 Cb -0.12 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 41.92 1yho s ILE 7 CO 0.02 -0.19 0.33 0.68 -1.91 0.00 0.00 174.94 173.88 1yho s VAL 8 N 2.24 0.07 0.12 4.00 -7.23 -0.09 -4.52 120.40 114.99 1yho s VAL 8 Ca 0.04 -0.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 1yho s VAL 8 Cb -0.15 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1yho s VAL 8 CO -0.10 -0.32 0.10 0.00 -0.31 0.00 0.00 175.10 174.47 1yho s ALA 9 N -2.30 3.56 -0.03 1.32 0.00 -1.26 -1.95 121.76 121.10 1yho s ALA 9 Ca -0.07 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1yho s ALA 9 Cb -0.02 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1yho s ALA 9 CO -0.02 0.64 0.19 0.14 0.00 0.00 0.00 175.76 176.71 1yho s VAL 10 N -1.55 0.04 0.75 0.00 -7.23 0.24 -4.69 120.40 107.96 1yho s VAL 10 Ca 0.30 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.00 1yho s VAL 10 Cb -0.11 -0.39 0.04 0.00 0.56 0.00 0.00 36.38 36.48 1yho s VAL 10 CO 0.23 -0.19 1.11 -0.94 -0.31 0.00 0.00 175.10 174.99 1yho s SER 11 N -0.70 5.03 0.64 4.85 1.04 0.20 -0.78 113.70 123.97 1yho s SER 11 Ca -0.08 1.11 0.38 0.00 0.48 0.00 0.00 55.95 57.84 1yho s SER 11 Cb -0.05 -1.84 2.14 0.00 0.10 0.00 0.00 66.02 66.37 1yho s SER 11 CO 0.01 -1.61 2.29 -0.61 0.98 0.00 0.00 173.24 174.31 1yho h GLN 12 N -0.84 0.00 -0.80 4.02 4.15 -1.22 0.11 115.11 120.54 1yho h GLN 12 Ca -0.46 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 58.81 1yho h GLN 12 Cb 1.27 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.87 1yho h GLN 12 CO 0.63 0.00 0.20 -1.71 -1.93 0.00 0.00 178.83 176.02 1yho n ASN 13 N -3.37 4.31 -3.05 -0.69 2.85 -1.26 -4.88 115.26 109.17 1yho n ASN 13 Ca -0.03 -2.94 -0.21 0.00 -0.11 0.00 0.00 54.58 51.29 1yho n ASN 13 Cb 0.11 -0.69 0.05 0.00 1.24 0.00 0.00 39.78 40.49 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 0.00 -5.81 -4.03 1.20 2.81 0.02 -4.97 117.12 106.35 1yho n MET 14 Ca 0.32 0.81 -0.30 0.00 -1.81 0.00 0.00 57.70 56.72 1yho n MET 14 Cb 1.16 -5.60 -0.06 0.00 -0.71 0.00 0.00 33.22 28.02 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 -2.98 2.01 -0.07 3.03 0.00 -1.23 -2.29 107.32 105.80 1yho s GLY 15 Ca 0.40 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 1yho s GLY 15 CO 0.49 -0.99 -0.06 0.29 0.00 0.00 0.00 173.10 172.83 1yho n ILE 16 N 0.33 0.38 0.00 0.90 -5.35 -1.19 0.61 119.36 115.04 1yho n ILE 16 Ca -0.08 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1yho n ILE 16 Cb 0.52 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 3.08 1.13 3.07 3.28 0.00 -1.26 -4.25 105.19 110.24 1yho n GLY 17 Ca -0.12 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1yho n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yho s LYS 18 N -2.00 2.18 -1.68 1.61 2.20 0.26 -2.99 119.74 119.32 1yho s LYS 18 Ca 0.00 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1yho s LYS 18 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1yho s LYS 18 CO 0.00 0.01 0.00 -1.71 -0.36 0.00 0.00 175.35 173.29 1yho n ASN 19 N 3.95 -5.54 0.00 1.43 2.85 -1.26 -1.54 115.26 115.15 1yho n ASN 19 Ca -0.20 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1yho n ASN 19 Cb 0.52 -4.59 0.00 0.00 1.24 0.00 0.00 39.78 36.95 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1yho n GLY 20 N -0.99 0.40 3.14 8.20 0.00 -1.26 -5.05 105.19 109.63 1yho n GLY 20 Ca -0.23 -1.05 -0.18 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 -2.97 1.50 0.43 1.61 1.01 -0.59 -4.89 116.67 112.77 1yho s ASP 21 Ca 0.00 -0.54 -0.25 0.00 0.71 0.00 0.00 52.55 52.48 1yho s ASP 21 Cb 0.00 -0.05 -0.08 0.00 1.01 0.00 0.00 42.92 43.80 1yho s ASP 21 CO 0.00 -0.06 1.26 -0.76 0.21 0.00 0.00 175.17 175.82 1yho s LEU 22 N -1.46 4.12 0.36 1.23 1.43 -1.26 0.93 118.68 124.03 1yho s LEU 22 Ca -0.02 2.54 0.06 0.00 -1.03 0.00 0.00 54.13 55.69 1yho s LEU 22 Cb -0.09 -4.04 0.75 0.00 0.03 0.00 0.00 46.19 42.84 1yho s LEU 22 CO 0.02 -0.92 1.94 -0.65 0.23 0.00 0.00 176.35 176.96 1yho h PRO 23 N 2.39 0.73 -5.95 1.29 0.11 -1.83 -3.42 132.00 125.32 1yho h PRO 23 Ca -0.50 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 64.93 1yho h PRO 23 Cb 1.25 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1yho h PRO 23 CO 0.61 0.48 -0.54 1.67 -0.21 0.00 0.00 178.00 180.02 1yho s TRP 24 N -5.68 3.41 1.13 0.65 -2.14 -1.26 -4.79 118.94 110.26 1yho s TRP 24 Ca -0.10 0.25 -0.17 0.00 2.66 0.00 0.00 56.10 58.74 1yho s TRP 24 Cb 0.20 -1.76 0.14 0.00 -3.10 0.00 0.00 33.47 28.95 1yho s TRP 24 CO 0.78 0.59 0.23 -2.30 -2.66 0.00 0.00 176.95 173.58 1yho n PRO 25 N 0.82 -1.73 -1.69 3.25 -0.02 -1.26 -4.80 135.00 129.57 1yho n PRO 25 Ca -0.10 -0.48 -0.50 0.00 -2.02 0.00 0.00 63.50 60.39 1yho n PRO 25 Cb 0.52 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.65 1.96 -3.58 0.52 -0.02 -1.26 -4.95 135.00 125.02 1yho n PRO 26 Ca 0.01 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 1yho n PRO 26 Cb 0.60 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.93 4.34 0.35 2.45 2.96 -1.26 -4.96 118.68 126.48 1yho s LEU 27 Ca 0.94 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1yho s LEU 27 Cb -0.77 -2.08 0.63 0.00 0.50 0.00 0.00 46.19 44.47 1yho s LEU 27 CO 0.54 -0.21 1.97 -0.09 -1.32 0.00 0.00 176.35 177.24 1yho h ARG 28 N 8.43 0.74 -0.06 1.98 2.43 -1.98 0.17 114.38 126.09 1yho h ARG 28 Ca -0.32 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.62 1yho h ARG 28 Cb 1.15 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1yho h ARG 28 CO 0.62 0.55 -0.57 -0.91 -1.51 0.00 0.00 179.97 178.15 1yho h ASN 29 N 0.75 0.60 -0.21 -3.80 4.21 -1.98 -1.73 115.58 113.42 1yho h ASN 29 Ca 0.19 -0.69 -0.10 0.00 1.21 0.00 0.00 56.30 56.91 1yho h ASN 29 Cb 0.03 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 1yho h ASN 29 CO -0.03 1.21 -0.19 -0.08 -1.29 0.00 0.00 177.43 177.05 1yho h GLU 30 N 0.05 0.65 -0.05 0.81 4.22 -1.91 0.16 114.58 118.51 1yho h GLU 30 Ca -0.06 -0.24 -0.04 0.00 0.08 0.00 0.00 59.36 59.11 1yho h GLU 30 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1yho h GLU 30 CO 0.12 0.80 -0.11 0.74 -2.18 0.00 0.00 179.01 178.38 1yho h PHE 31 N 0.58 0.21 -0.47 0.92 -1.00 -0.71 -2.07 116.94 114.40 1yho h PHE 31 Ca 0.09 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1yho h PHE 31 Cb 0.65 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1yho h PHE 31 CO 0.03 0.71 -0.07 0.00 -1.61 0.00 0.00 178.31 177.36 1yho h ARG 32 N -0.34 0.88 -0.69 1.51 3.08 -1.28 -2.29 114.38 115.24 1yho h ARG 32 Ca 0.00 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1yho h ARG 32 Cb 0.70 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1yho h ARG 32 CO 0.02 0.96 0.40 -0.92 -1.07 0.00 0.00 179.97 179.36 1yho h TYR 33 N 0.72 0.92 -0.19 3.04 3.20 -0.74 0.30 116.97 124.21 1yho h TYR 33 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1yho h TYR 33 Cb 0.61 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1yho h TYR 33 CO 0.05 0.63 0.08 0.35 -1.64 0.00 0.00 178.16 177.63 1yho h PHE 34 N 0.94 0.29 0.09 -3.82 3.04 -1.27 0.31 116.94 116.52 1yho h PHE 34 Ca 0.24 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 1yho h PHE 34 Cb -0.01 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.42 1yho h PHE 34 CO -0.01 0.33 -0.05 1.96 -2.02 0.00 0.00 178.31 178.52 1yho h GLN 35 N 0.17 -0.12 -0.84 1.11 4.20 -1.19 -1.89 115.11 116.54 1yho h GLN 35 Ca 0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1yho h GLN 35 Cb 0.16 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1yho h GLN 35 CO -0.01 0.20 0.53 -0.09 -0.67 0.00 0.00 178.83 178.80 1yho h ARG 36 N -0.46 1.13 0.39 1.46 1.12 -0.41 0.20 114.38 117.81 1yho h ARG 36 Ca -0.01 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 58.75 1yho h ARG 36 Cb 0.38 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 1yho h ARG 36 CO 0.02 0.77 -0.19 1.98 -3.11 0.00 0.00 179.97 179.44 1yho h MET 37 N 1.15 -0.50 -0.71 0.20 4.05 -0.32 -1.19 114.93 117.61 1yho h MET 37 Ca 0.31 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.69 1yho h MET 37 Cb -0.09 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1yho h MET 37 CO -0.06 -0.28 0.18 1.15 0.23 0.00 0.00 176.91 178.13 1yho h THR 38 N -0.62 1.26 -0.15 -0.77 2.02 -1.15 -2.50 112.91 111.00 1yho h THR 38 Ca -0.05 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1yho h THR 38 Cb 0.46 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1yho h THR 38 CO 0.09 0.37 0.07 0.74 0.37 0.00 0.00 175.52 177.16 1yho h THR 39 N 1.07 1.06 -0.59 3.16 2.02 -0.50 -3.37 112.91 115.77 1yho h THR 39 Ca 0.22 -0.17 -0.28 0.00 0.77 0.00 0.00 66.41 66.96 1yho h THR 39 Cb 0.37 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1yho h THR 39 CO 0.00 0.06 0.78 -0.89 0.37 0.00 0.00 175.52 175.85 1yho s THR 40 N -5.16 3.44 0.29 3.16 2.01 -0.46 -4.94 115.64 113.98 1yho s THR 40 Ca -0.06 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 1yho s THR 40 Cb 0.17 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 1yho s THR 40 CO 0.70 -0.87 0.86 -0.44 -0.69 0.00 0.00 174.62 174.17 1yho s SER 41 N 7.70 7.20 0.06 3.53 0.01 -1.26 -4.98 113.70 125.96 1yho s SER 41 Ca 0.71 1.66 0.01 0.00 1.31 0.00 0.00 55.95 59.64 1yho s SER 41 Cb -0.05 -2.51 -0.26 0.00 0.21 0.00 0.00 66.02 63.41 1yho s SER 41 CO 0.05 -0.05 1.06 0.28 0.41 0.00 0.00 173.24 175.00 1yho h SER 42 N 3.19 0.25 -3.29 2.44 0.02 -1.95 -3.45 113.55 110.76 1yho h SER 42 Ca -0.47 -0.31 -0.64 0.00 -0.84 0.00 0.00 61.79 59.53 1yho h SER 42 Cb 1.19 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 63.47 1yho h SER 42 CO 0.65 1.25 -0.62 0.54 -1.14 0.00 0.00 176.83 177.51 1yho s VAL 43 N -2.66 4.32 0.16 2.27 0.11 -1.26 -5.10 120.40 118.24 1yho s VAL 43 Ca -0.04 -0.21 -0.20 0.00 -2.93 0.00 0.00 61.98 58.59 1yho s VAL 43 Cb 0.08 -2.89 -0.08 0.00 -1.53 0.00 0.00 36.38 31.96 1yho s VAL 43 CO 0.85 0.51 0.68 -1.61 -3.33 0.00 0.00 175.10 172.20 1yho s GLU 44 N 0.07 4.29 0.00 1.54 0.41 -1.26 -3.96 118.70 119.79 1yho s GLU 44 Ca 0.02 0.87 0.00 0.00 -0.41 0.00 0.00 54.97 55.45 1yho s GLU 44 Cb -0.13 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1yho s GLU 44 CO 0.02 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 1yho n GLY 45 N 1.20 0.70 3.22 -1.39 0.00 -1.26 -5.06 105.19 102.59 1yho n GLY 45 Ca -0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 0.98 0.18 1.61 1.02 -1.25 -5.09 119.74 116.44 1yho s LYS 46 Ca 0.00 -1.40 0.09 0.00 0.02 0.00 0.00 55.97 54.68 1yho s LYS 46 Cb 0.00 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 1yho s LYS 46 CO 0.00 0.04 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.21 1yho s GLN 47 N -3.75 1.95 -0.09 1.68 0.74 -1.23 -5.02 119.66 113.95 1yho s GLN 47 Ca 0.15 -1.31 -0.09 0.00 0.05 0.00 0.00 55.36 54.16 1yho s GLN 47 Cb 0.03 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 1yho s GLN 47 CO -0.01 0.43 0.21 -0.80 -0.55 0.00 0.00 175.29 174.57 1yho s ASN 48 N -2.77 6.49 -0.30 6.67 0.01 -1.26 -3.75 114.94 120.04 1yho s ASN 48 Ca 0.24 0.59 -0.07 0.00 -0.71 0.00 0.00 52.86 52.91 1yho s ASN 48 Cb -0.09 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1yho s ASN 48 CO 0.14 0.38 0.08 -0.22 -1.51 0.00 0.00 177.10 175.98 1yho s LEU 49 N -1.01 3.89 0.10 0.60 1.98 -0.98 -2.12 118.68 121.14 1yho s LEU 49 Ca 0.17 -0.73 0.04 0.00 -2.89 0.00 0.00 54.13 50.72 1yho s LEU 49 Cb -0.13 -1.88 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 1yho s LEU 49 CO 0.06 -0.20 0.05 0.68 -1.89 0.00 0.00 176.35 175.05 1yho s VAL 50 N 1.50 4.31 -0.08 1.68 -7.23 -0.72 -1.04 120.40 118.81 1yho s VAL 50 Ca 0.02 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1yho s VAL 50 Cb -0.17 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.69 1yho s VAL 50 CO 0.03 0.09 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.11 1yho s ILE 51 N -1.41 1.45 0.11 -0.62 1.01 -0.83 -1.05 121.20 119.86 1yho s ILE 51 Ca 0.28 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1yho s ILE 51 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1yho s ILE 51 CO 0.21 0.42 -0.16 -0.04 0.00 0.00 0.00 174.94 175.37 1yho s MET 52 N 0.53 1.03 0.78 2.79 -1.94 0.18 -2.04 119.30 120.63 1yho s MET 52 Ca -0.16 -1.18 -0.10 0.00 -1.71 0.00 0.00 55.69 52.55 1yho s MET 52 Cb -0.16 -1.04 0.09 0.00 2.01 0.00 0.00 34.83 35.73 1yho s MET 52 CO 0.05 0.22 1.12 0.20 -0.01 0.00 0.00 175.02 176.60 1yho s GLY 53 N -2.21 1.68 0.18 -0.03 0.00 -1.12 -1.94 107.32 103.88 1yho s GLY 53 Ca 0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 1yho s GLY 53 CO 0.04 -0.43 1.80 1.70 0.00 0.00 0.00 173.10 176.21 1yho h LYS 54 N -0.92 0.56 -0.31 2.90 3.64 -1.95 -0.13 116.57 120.35 1yho h LYS 54 Ca -0.44 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1yho h LYS 54 Cb 1.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1yho h LYS 54 CO 0.57 0.37 0.14 0.87 -2.27 0.00 0.00 179.45 179.13 1yho h LYS 55 N 0.58 0.46 -0.40 1.90 1.79 -1.94 -1.78 116.57 117.17 1yho h LYS 55 Ca 0.23 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1yho h LYS 55 Cb 0.09 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1yho h LYS 55 CO -0.13 0.45 0.26 1.15 -1.08 0.00 0.00 179.45 180.10 1yho h THR 56 N 0.36 1.10 0.64 -0.16 2.02 -1.84 -0.05 112.91 114.98 1yho h THR 56 Ca 0.11 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1yho h THR 56 Cb 0.15 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1yho h THR 56 CO -0.01 0.10 -0.39 -0.25 0.37 0.00 0.00 175.52 175.34 1yho h TRP 57 N 0.54 -1.04 0.00 3.16 2.91 -0.88 -0.76 115.95 119.88 1yho h TRP 57 Ca 0.15 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1yho h TRP 57 Cb -0.06 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1yho h TRP 57 CO -0.05 -0.59 0.00 0.74 -1.03 0.00 0.00 178.44 177.51 1yho h PHE 58 N -0.97 0.00 0.02 2.65 -1.00 -1.25 -1.20 116.94 115.19 1yho h PHE 58 Ca -0.08 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.47 1yho h PHE 58 Cb 0.79 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.32 1yho h PHE 58 CO -0.10 0.00 -1.13 0.77 -1.61 0.00 0.00 178.31 176.24 1yho h SER 59 N 0.00 0.07 -3.23 2.17 0.02 -0.18 -3.45 113.55 108.96 1yho h SER 59 Ca 0.00 -0.09 -0.54 0.00 -0.84 0.00 0.00 61.79 60.33 1yho h SER 59 Cb 0.07 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1yho h SER 59 CO 0.00 1.07 0.53 -0.63 -1.14 0.00 0.00 176.83 176.66 1yho s ILE 60 N -2.69 4.21 0.44 3.27 1.01 -0.37 -5.01 121.20 122.07 1yho s ILE 60 Ca -0.01 1.58 -0.24 0.00 0.00 0.00 0.00 60.65 61.99 1yho s ILE 60 Cb 0.09 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 1yho s ILE 60 CO 0.83 0.12 1.23 -2.16 0.00 0.00 0.00 174.94 174.96 1yho s PRO 61 N 1.10 3.79 0.56 2.79 0.04 -1.26 -4.90 135.00 137.12 1yho s PRO 61 Ca 0.57 1.96 0.27 0.00 0.04 0.00 0.00 61.00 63.85 1yho s PRO 61 Cb -0.28 -2.54 1.65 0.00 0.04 0.00 0.00 34.50 33.37 1yho s PRO 61 CO 0.29 -0.58 2.19 0.93 0.04 0.00 0.00 177.00 179.87 1yho h GLU 62 N 2.27 0.00 -0.53 4.56 5.08 -1.95 -1.95 114.58 122.07 1yho h GLU 62 Ca -0.49 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.02 1yho h GLU 62 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1yho h GLU 62 CO 0.61 0.04 0.39 0.87 -1.00 0.00 0.00 179.01 179.92 1yho h LYS 63 N 0.00 0.00 0.00 2.33 1.79 -2.01 -1.82 116.57 116.87 1yho h LYS 63 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1yho h LYS 63 Cb 0.10 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.68 1yho h LYS 63 CO 0.01 0.00 -2.36 0.09 -1.08 0.00 0.00 179.45 176.11 1yho n ASN 64 N -4.35 0.12 -4.76 0.86 3.02 -0.76 -4.95 115.26 104.44 1yho n ASN 64 Ca 0.10 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1yho n ASN 64 Cb 0.61 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.61 1yho n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1yho s ARG 65 N -2.50 4.73 0.34 3.52 0.52 -0.68 -2.51 118.95 122.37 1yho s ARG 65 Ca -0.11 1.34 -0.27 0.00 -0.52 0.00 0.00 55.73 56.17 1yho s ARG 65 Cb 0.06 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 1yho s ARG 65 CO 0.82 0.54 1.18 -1.25 0.02 0.00 0.00 175.30 176.61 1yho s PRO 66 N -1.14 4.33 -0.52 3.54 0.04 -1.26 -4.79 135.00 135.20 1yho s PRO 66 Ca 0.39 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 1yho s PRO 66 Cb -0.25 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1yho s PRO 66 CO 0.29 -0.11 1.66 -0.51 0.04 0.00 0.00 177.00 178.37 1yho s LEU 67 N -1.98 3.40 0.73 -3.56 2.01 -1.04 -4.98 118.68 113.25 1yho s LEU 67 Ca 0.51 0.57 -0.13 0.00 0.01 0.00 0.00 54.13 55.08 1yho s LEU 67 Cb -0.33 -3.01 0.04 0.00 0.01 0.00 0.00 46.19 42.90 1yho s LEU 67 CO 0.43 -1.92 1.13 -0.54 1.01 0.00 0.00 176.35 176.45 1yho s LYS 68 N 6.04 2.35 0.00 1.70 1.02 -1.26 -3.50 119.74 126.09 1yho s LYS 68 Ca 0.64 1.42 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1yho s LYS 68 Cb -0.14 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1yho s LYS 68 CO 0.26 -1.60 0.00 0.41 -0.92 0.00 0.00 175.35 173.49 1yho n GLY 69 N -0.45 3.03 3.20 -3.33 0.00 -1.26 -4.99 105.19 101.39 1yho n GLY 69 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.70 -0.10 1.61 1.70 -1.23 -4.61 118.95 116.81 1yho s ARG 70 Ca 0.00 -0.52 -0.26 0.00 -0.47 0.00 0.00 55.73 54.48 1yho s ARG 70 Cb 0.00 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1yho s ARG 70 CO 0.00 -0.20 0.85 0.42 -1.08 0.00 0.00 175.30 175.29 1yho s ILE 71 N -2.28 4.91 -0.18 4.99 -1.09 -0.90 -4.73 121.20 121.92 1yho s ILE 71 Ca -0.07 1.73 -0.16 0.00 -2.23 0.00 0.00 60.65 59.91 1yho s ILE 71 Cb -0.02 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1yho s ILE 71 CO -0.02 0.11 0.41 0.20 -1.23 0.00 0.00 174.94 174.41 1yho s ASN 72 N 1.03 6.51 -0.10 3.58 0.01 -1.26 -1.76 114.94 122.94 1yho s ASN 72 Ca 0.42 0.60 0.03 0.00 -0.71 0.00 0.00 52.86 53.21 1yho s ASN 72 Cb -0.18 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1yho s ASN 72 CO 0.18 -0.04 -0.22 -0.22 -1.51 0.00 0.00 177.10 175.29 1yho s LEU 73 N 1.05 2.02 -0.10 0.60 0.20 -0.22 -1.74 118.68 120.50 1yho s LEU 73 Ca 0.21 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 1yho s LEU 73 Cb -0.15 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 1yho s LEU 73 CO 0.08 0.13 0.01 -0.69 -0.29 0.00 0.00 176.35 175.58 1yho s VAL 74 N 0.48 4.35 -0.38 1.68 1.01 -0.85 0.47 120.40 127.16 1yho s VAL 74 Ca -0.16 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1yho s VAL 74 Cb -0.17 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1yho s VAL 74 CO 0.06 0.59 0.22 -0.76 0.00 0.00 0.00 175.10 175.21 1yho s LEU 75 N -0.72 4.79 -0.03 3.92 1.43 -0.82 -1.98 118.68 125.28 1yho s LEU 75 Ca 0.11 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1yho s LEU 75 Cb -0.12 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1yho s LEU 75 CO 0.02 -0.40 -0.03 -0.55 0.23 0.00 0.00 176.35 175.62 1yho s SER 76 N 1.58 0.63 -0.09 2.29 0.15 -0.62 -4.00 113.70 113.65 1yho s SER 76 Ca 0.02 -0.08 0.20 0.00 0.70 0.00 0.00 55.95 56.79 1yho s SER 76 Cb -0.19 -0.27 -0.30 0.00 -1.71 0.00 0.00 66.02 63.55 1yho s SER 76 CO 0.07 -0.05 0.32 -1.14 1.20 0.00 0.00 173.24 173.64 1yho n ARG 77 N 3.83 0.70 0.03 5.44 0.63 -1.26 -3.95 116.66 122.08 1yho n ARG 77 Ca -0.23 -0.13 -0.19 0.00 -0.92 0.00 0.00 57.85 56.38 1yho n ARG 77 Cb 0.52 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.79 1yho n ARG 77 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1yho h GLU 78 N 0.00 0.25 -6.88 -0.14 4.39 -1.95 -3.47 114.58 106.79 1yho h GLU 78 Ca -0.19 -0.43 -0.50 0.00 0.34 0.00 0.00 59.36 58.57 1yho h GLU 78 Cb 1.41 0.16 0.03 0.00 -0.10 0.00 0.00 28.75 30.25 1yho h GLU 78 CO 0.01 1.11 0.48 -0.51 -1.16 0.00 0.00 179.01 178.94 1yho s LEU 79 N -6.95 4.36 -0.16 1.33 1.43 -1.26 -4.97 118.68 112.47 1yho s LEU 79 Ca -0.14 2.26 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1yho s LEU 79 Cb 0.07 -3.85 -0.23 0.00 0.03 0.00 0.00 46.19 42.20 1yho s LEU 79 CO 0.82 -0.37 0.20 1.17 0.23 0.00 0.00 176.35 178.40 1yho n LYS 80 N 0.61 0.71 -4.56 1.70 4.81 -1.26 -4.93 118.16 115.25 1yho n LYS 80 Ca 0.02 0.22 -0.30 0.00 -0.87 0.00 0.00 58.31 57.37 1yho n LYS 80 Cb 0.46 -1.65 -0.12 0.00 0.02 0.00 0.00 35.03 33.73 1yho n LYS 80 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1yho s GLU 81 N -2.55 1.91 0.54 1.64 2.12 -1.26 -5.10 118.70 116.00 1yho s GLU 81 Ca -0.24 -1.08 -0.20 0.00 0.36 0.00 0.00 54.97 53.81 1yho s GLU 81 Cb 0.07 -2.12 -0.07 0.00 0.26 0.00 0.00 34.13 32.27 1yho s GLU 81 CO 0.73 0.51 0.91 -2.30 -0.54 0.00 0.00 175.26 174.57 1yho n PRO 82 N 1.30 0.98 -1.94 4.30 -0.02 -1.26 -4.96 135.00 133.40 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 -2.05 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.40 3.15 0.14 0.52 0.04 -1.26 -4.95 135.00 130.24 1yho s PRO 83 Ca 0.70 1.25 -0.32 0.00 0.04 0.00 0.00 61.00 62.68 1yho s PRO 83 Cb -0.46 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 1yho s PRO 83 CO 0.51 -0.95 1.81 1.04 0.04 0.00 0.00 177.00 179.45 1yho n GLN 84 N -2.18 2.77 0.00 4.56 1.13 -1.26 -1.61 117.38 120.79 1yho n GLN 84 Ca 0.09 1.01 0.00 0.00 -1.94 0.00 0.00 57.00 56.16 1yho n GLN 84 Cb 0.53 -2.89 0.00 0.00 0.11 0.00 0.00 30.24 27.99 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yho n GLY 85 N 4.16 3.14 3.82 1.08 0.00 -1.26 -5.05 105.19 111.08 1yho n GLY 85 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 2.88 -0.12 4.61 0.00 -0.63 -4.43 121.76 121.18 1yho s ALA 86 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1yho s ALA 86 Cb 0.00 -3.17 -0.26 0.00 0.00 0.00 0.00 23.12 19.69 1yho s ALA 86 CO 0.00 -0.63 0.41 0.45 0.00 0.00 0.00 175.76 175.99 1yho h HIS 87 N 0.45 0.44 -3.50 0.00 3.86 -1.65 -3.47 115.15 111.28 1yho h HIS 87 Ca -0.46 -0.32 -0.07 0.00 -1.16 0.00 0.00 60.37 58.36 1yho h HIS 87 Cb 1.20 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 29.52 1yho h HIS 87 CO 0.61 1.69 -0.18 -0.06 0.86 0.00 0.00 177.93 180.86 1yho s PHE 88 N -2.52 -0.09 0.04 2.45 0.08 -1.19 -5.05 117.98 111.70 1yho s PHE 88 Ca -0.22 -0.24 0.06 0.00 0.12 0.00 0.00 56.93 56.65 1yho s PHE 88 Cb 0.06 0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.63 1yho s PHE 88 CO 0.75 -0.63 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.90 1yho s LEU 89 N -2.74 2.18 -0.01 -0.37 2.96 -1.26 -2.01 118.68 117.43 1yho s LEU 89 Ca 0.03 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1yho s LEU 89 Cb 0.02 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 1yho s LEU 89 CO -0.11 0.09 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.49 1yho s SER 90 N -1.20 1.08 0.00 3.68 0.01 -0.84 -4.98 113.70 111.46 1yho s SER 90 Ca 0.04 -0.17 -0.25 0.00 1.31 0.00 0.00 55.95 56.89 1yho s SER 90 Cb -0.08 -0.17 -0.19 0.00 0.21 0.00 0.00 66.02 65.79 1yho s SER 90 CO 0.02 0.10 1.33 -0.09 0.41 0.00 0.00 173.24 175.01 1yho h ARG 91 N 6.06 0.06 -4.97 12.44 9.65 -1.90 -1.66 114.38 134.06 1yho h ARG 91 Ca -0.31 -0.03 -0.38 0.00 -1.10 0.00 0.00 59.98 58.15 1yho h ARG 91 Cb 1.18 -0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.61 1yho h ARG 91 CO 0.49 0.48 -0.61 -1.54 2.80 0.00 0.00 179.97 181.59 1yho s SER 92 N -5.71 1.51 0.15 -3.80 1.04 -1.26 -4.00 113.70 101.63 1yho s SER 92 Ca -0.15 -1.39 -0.15 0.00 0.48 0.00 0.00 55.95 54.74 1yho s SER 92 Cb 0.03 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1yho s SER 92 CO 0.69 -0.71 1.71 -0.07 0.98 0.00 0.00 173.24 175.84 1yho h LEU 93 N 2.30 0.64 -1.50 2.42 4.07 -1.99 -2.10 115.31 119.15 1yho h LEU 93 Ca -0.39 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.42 1yho h LEU 93 Cb 1.25 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 1yho h LEU 93 CO 0.63 0.61 0.28 0.44 -1.08 0.00 0.00 178.44 179.32 1yho h ASP 94 N 0.62 0.55 -0.09 -0.43 3.32 -1.98 0.76 116.42 119.17 1yho h ASP 94 Ca 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1yho h ASP 94 Cb 0.16 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1yho h ASP 94 CO -0.02 0.42 -0.03 -0.78 -1.72 0.00 0.00 179.24 177.11 1yho h ASP 95 N 0.64 0.17 -0.56 6.45 3.58 -1.86 0.17 116.42 125.01 1yho h ASP 95 Ca 0.17 -0.39 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1yho h ASP 95 Cb -0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1yho h ASP 95 CO -0.03 0.53 -0.01 0.00 -2.88 0.00 0.00 179.24 176.84 1yho h ALA 96 N 0.65 0.89 -0.31 -0.78 0.00 -1.05 -1.27 119.26 117.39 1yho h ALA 96 Ca 0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1yho h ALA 96 Cb 0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yho h ALA 96 CO 0.01 0.66 -0.49 -0.07 0.00 0.00 0.00 179.25 179.35 1yho h LEU 97 N 0.93 0.98 -0.52 0.00 3.38 -0.84 -2.28 115.31 116.95 1yho h LEU 97 Ca 0.17 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1yho h LEU 97 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1yho h LEU 97 CO 0.03 1.30 0.11 0.11 0.09 0.00 0.00 178.44 180.09 1yho h LYS 98 N 0.68 0.84 -0.17 1.13 1.79 -0.53 -0.51 116.57 119.81 1yho h LYS 98 Ca 0.03 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1yho h LYS 98 Cb 1.10 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1yho h LYS 98 CO 0.11 0.81 0.06 -0.07 -1.08 0.00 0.00 179.45 179.29 1yho h LEU 99 N 0.73 0.25 -1.70 2.94 3.38 -1.22 -0.40 115.31 119.28 1yho h LEU 99 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1yho h LEU 99 Cb 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1yho h LEU 99 CO 0.00 0.37 -0.10 0.71 0.09 0.00 0.00 178.44 179.51 1yho h THR 100 N 0.12 0.34 0.00 0.22 1.35 -1.33 -2.41 112.91 111.20 1yho h THR 100 Ca 0.06 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.22 1yho h THR 100 Cb 0.20 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1yho h THR 100 CO -0.00 0.10 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.24 1yho h GLU 101 N 0.00 0.00 -6.99 4.72 5.08 -0.64 -3.30 114.58 113.45 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1yho h GLU 101 Cb 0.45 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.80 1yho h GLU 101 CO 0.01 0.22 0.58 -0.65 -1.00 0.00 0.00 179.01 178.18 1yho s GLN 102 N -3.10 3.70 0.53 2.33 -1.52 -0.20 -4.66 119.66 116.75 1yho s GLN 102 Ca 0.01 2.08 0.27 0.00 -1.95 0.00 0.00 55.36 55.77 1yho s GLN 102 Cb 0.08 -2.53 1.42 0.00 -0.22 0.00 0.00 33.01 31.75 1yho s GLN 102 CO 0.76 -0.69 1.97 -1.35 -0.25 0.00 0.00 175.29 175.74 1yho h PRO 103 N 2.19 0.00 -1.00 2.91 0.11 -1.90 0.79 132.00 135.10 1yho h PRO 103 Ca -0.50 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1yho h PRO 103 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1yho h PRO 103 CO 0.61 0.00 0.66 0.93 -0.21 0.00 0.00 178.00 179.98 1yho h GLU 104 N 0.00 1.21 0.00 1.05 5.08 -1.90 -2.93 114.58 117.10 1yho h GLU 104 Ca 0.28 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1yho h GLU 104 Cb 1.15 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1yho h GLU 104 CO -0.00 0.80 -2.11 1.28 -1.00 0.00 0.00 179.01 177.99 1yho n LEU 105 N -4.45 0.00 0.18 1.33 4.77 -0.35 -4.35 117.00 114.12 1yho n LEU 105 Ca 0.14 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.30 1yho n LEU 105 Cb 0.11 0.28 0.81 0.00 -2.33 0.00 0.00 43.42 42.29 1yho n LEU 105 CO 0.34 0.28 1.16 0.00 -1.33 0.00 0.00 177.39 177.84 1yho h ALA 106 N 1.20 1.88 -0.02 -1.18 0.00 0.63 0.75 119.26 122.52 1yho h ALA 106 Ca -0.31 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1yho h ALA 106 Cb 1.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1yho h ALA 106 CO 0.02 -0.40 -0.62 -0.97 0.00 0.00 0.00 179.25 177.28 1yho h ASN 107 N 0.00 0.07 0.10 0.00 -0.73 -1.71 -3.27 115.58 110.02 1yho h ASN 107 Ca 0.11 -0.04 -0.36 0.00 1.87 0.00 0.00 56.30 57.89 1yho h ASN 107 Cb 0.66 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 39.17 1yho h ASN 107 CO -0.00 0.67 -2.26 0.29 -0.37 0.00 0.00 177.43 175.76 1yho n LYS 108 N -3.82 0.68 -4.23 6.67 4.01 0.47 -4.95 118.16 116.99 1yho n LYS 108 Ca -0.01 0.09 -0.31 0.00 -0.51 0.00 0.00 58.31 57.56 1yho n LYS 108 Cb 0.62 -1.58 -0.09 0.00 -0.51 0.00 0.00 35.03 33.47 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1yho s VAL 109 N -2.52 3.99 0.05 -0.18 1.01 0.23 -3.49 120.40 119.49 1yho s VAL 109 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1yho s VAL 109 Cb 0.07 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1yho s VAL 109 CO 0.79 0.25 0.00 -0.67 0.00 0.00 0.00 175.10 175.47 1yho n ASP 110 N 1.00 0.26 -4.32 3.32 2.03 -1.25 -4.32 116.55 113.27 1yho n ASP 110 Ca -0.13 0.07 -0.24 0.00 0.52 0.00 0.00 54.79 55.01 1yho n ASP 110 Cb 0.52 -0.05 -0.12 0.00 -0.72 0.00 0.00 41.12 40.75 1yho n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yho s MET 111 N -2.00 1.24 0.09 -0.67 -1.94 -1.26 -3.08 119.30 111.68 1yho s MET 111 Ca 0.00 -1.30 0.08 0.00 -1.71 0.00 0.00 55.69 52.76 1yho s MET 111 Cb 0.00 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 1yho s MET 111 CO 0.00 0.32 -0.16 0.08 -0.01 0.00 0.00 175.02 175.26 1yho s VAL 112 N -1.51 2.98 -0.10 -6.03 1.01 -0.52 -2.30 120.40 113.93 1yho s VAL 112 Ca 0.12 -1.34 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1yho s VAL 112 Cb -0.08 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1yho s VAL 112 CO 0.06 0.18 -0.06 0.26 0.00 0.00 0.00 175.10 175.54 1yho s TRP 113 N -1.10 1.23 -0.26 5.22 0.52 -0.21 -0.94 118.94 123.40 1yho s TRP 113 Ca 0.18 -0.55 -0.23 0.00 0.02 0.00 0.00 56.10 55.52 1yho s TRP 113 Cb -0.11 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1yho s TRP 113 CO 0.10 -0.43 0.74 0.42 0.02 0.00 0.00 176.95 177.79 1yho s ILE 114 N 1.67 4.89 -0.45 2.03 1.09 0.10 -1.96 121.20 128.57 1yho s ILE 114 Ca 0.03 1.32 0.03 0.00 -1.10 0.00 0.00 60.65 60.93 1yho s ILE 114 Cb -0.13 -4.05 0.46 0.00 -1.06 0.00 0.00 42.46 37.68 1yho s ILE 114 CO -0.06 -0.06 1.56 0.52 -0.10 0.00 0.00 174.94 176.79 1yho n VAL 115 N 5.28 3.01 0.00 2.92 0.31 -0.87 -2.11 118.33 126.87 1yho n VAL 115 Ca 0.03 -3.65 0.00 0.00 -0.01 0.00 0.00 64.34 60.70 1yho n VAL 115 Cb 0.48 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1yho n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yho n GLY 116 N -0.80 -0.26 0.00 2.92 0.00 -1.26 -4.75 105.19 101.04 1yho n GLY 116 Ca 0.52 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.24 1.62 0.30 -0.02 0.00 -1.26 -2.78 105.19 102.81 1yho n GLY 117 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 1yho n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1yho h SER 118 N 0.00 0.72 -0.44 1.61 0.87 -1.99 -2.45 113.55 111.87 1yho h SER 118 Ca 0.00 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1yho h SER 118 Cb 0.00 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 1yho h SER 118 CO 0.00 0.72 0.23 -1.28 -0.53 0.00 0.00 176.83 175.97 1yho h SER 119 N 0.74 0.34 -0.62 6.23 0.87 -1.99 0.14 113.55 119.25 1yho h SER 119 Ca 0.16 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1yho h SER 119 Cb 0.29 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1yho h SER 119 CO -0.00 0.24 0.14 0.58 -0.53 0.00 0.00 176.83 177.26 1yho h VAL 120 N 0.46 1.25 -0.59 2.23 2.07 -1.80 -2.49 116.25 117.37 1yho h VAL 120 Ca 0.19 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1yho h VAL 120 Cb 0.09 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1yho h VAL 120 CO -0.13 0.36 -0.03 1.88 0.02 0.00 0.00 177.57 179.68 1yho h TYR 121 N 0.97 1.17 -0.34 1.57 -1.99 -0.93 -1.50 116.97 115.92 1yho h TYR 121 Ca 0.20 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1yho h TYR 121 Cb 0.37 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1yho h TYR 121 CO 0.03 1.04 0.22 -0.22 -0.00 0.00 0.00 178.16 179.23 1yho h LYS 122 N 0.96 0.44 -0.40 4.88 3.64 -0.49 0.85 116.57 126.45 1yho h LYS 122 Ca 0.16 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1yho h LYS 122 Cb 0.59 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1yho h LYS 122 CO 0.04 0.29 0.03 1.49 -2.27 0.00 0.00 179.45 179.03 1yho h GLU 123 N 0.46 0.69 0.00 1.90 4.81 -1.36 -2.88 114.58 118.20 1yho h GLU 123 Ca 0.12 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1yho h GLU 123 Cb -0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1yho h GLU 123 CO -0.03 0.76 -0.46 0.00 -0.73 0.00 0.00 179.01 178.56 1yho h ALA 124 N 0.90 0.98 -0.01 2.92 0.00 -1.03 -2.97 119.26 120.05 1yho h ALA 124 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1yho h ALA 124 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yho h ALA 124 CO 0.02 0.57 0.06 0.52 0.00 0.00 0.00 179.25 180.41 1yho h MET 125 N 0.00 0.00 -0.73 0.00 2.86 0.96 0.38 114.93 118.40 1yho h MET 125 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1yho h MET 125 Cb 0.97 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1yho h MET 125 CO 0.06 0.00 0.06 0.09 1.06 0.00 0.00 176.91 178.17 1yho n ASN 126 N -3.19 4.38 -4.71 1.22 4.13 -1.12 -4.93 115.26 111.04 1yho n ASN 126 Ca -0.03 -2.74 -0.42 0.00 1.68 0.00 0.00 54.58 53.08 1yho n ASN 126 Cb 0.13 -0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 37.69 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1yho s HIS 127 N -2.31 3.63 0.09 3.10 3.76 0.12 -4.96 115.29 118.73 1yho s HIS 127 Ca 0.40 1.66 -0.09 0.00 -0.15 0.00 0.00 55.06 56.88 1yho s HIS 127 Cb 0.31 -3.11 -0.20 0.00 1.11 0.00 0.00 32.58 30.69 1yho s HIS 127 CO 0.11 -0.03 1.20 -1.00 -0.85 0.00 0.00 174.74 174.17 1yho h PRO 128 N 6.84 0.51 -7.27 8.40 0.13 -1.91 -3.47 132.00 135.23 1yho h PRO 128 Ca -0.40 -0.62 -0.42 0.00 -0.87 0.00 0.00 66.00 63.69 1yho h PRO 128 Cb 1.21 0.19 0.19 0.00 0.13 0.00 0.00 31.00 32.73 1yho h PRO 128 CO 0.76 1.25 0.07 0.20 -0.23 0.00 0.00 178.00 180.05 1yho s GLY 129 N -4.44 1.53 0.19 1.56 0.00 -1.26 -4.72 107.32 100.18 1yho s GLY 129 Ca -0.07 -0.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.67 1yho s GLY 129 CO 0.90 0.16 1.23 -1.58 0.00 0.00 0.00 173.10 173.81 1yho s HIS 130 N -2.75 3.37 -0.05 1.90 2.46 -1.26 -4.83 115.29 114.13 1yho s HIS 130 Ca 0.69 1.36 -0.09 0.00 0.47 0.00 0.00 55.06 57.48 1yho s HIS 130 Cb -0.15 -3.49 0.02 0.00 -0.13 0.00 0.00 32.58 28.83 1yho s HIS 130 CO 0.58 -1.43 0.22 -1.17 -2.47 0.00 0.00 174.74 170.48 1yho s LEU 131 N -0.21 1.17 -0.06 8.88 0.20 -1.25 -4.61 118.68 122.80 1yho s LEU 131 Ca 0.54 0.22 -0.04 0.00 0.69 0.00 0.00 54.13 55.54 1yho s LEU 131 Cb -0.34 0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 46.24 1yho s LEU 131 CO 0.37 -0.23 0.14 -0.54 -0.29 0.00 0.00 176.35 175.81 1yho s LYS 132 N -0.56 3.37 -0.08 1.98 1.02 -0.94 -1.98 119.74 122.54 1yho s LYS 132 Ca -0.07 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 1yho s LYS 132 Cb -0.04 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1yho s LYS 132 CO 0.01 0.71 0.01 -1.17 -0.92 0.00 0.00 175.35 174.00 1yho s LEU 133 N -1.50 0.63 -0.37 3.17 0.20 0.13 0.67 118.68 121.61 1yho s LEU 133 Ca 0.21 -0.16 -0.12 0.00 0.69 0.00 0.00 54.13 54.75 1yho s LEU 133 Cb -0.12 -0.45 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 1yho s LEU 133 CO 0.12 -0.21 0.23 -0.36 -0.29 0.00 0.00 176.35 175.83 1yho s PHE 134 N 1.97 3.23 -0.20 5.38 0.40 0.31 0.10 117.98 129.17 1yho s PHE 134 Ca 0.04 -0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1yho s PHE 134 Cb -0.13 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 1yho s PHE 134 CO -0.06 -0.56 -0.05 0.08 0.70 0.00 0.00 175.22 175.33 1yho s VAL 135 N 1.62 3.43 -0.33 -0.44 1.01 0.18 -0.92 120.40 124.95 1yho s VAL 135 Ca 0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1yho s VAL 135 Cb -0.19 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1yho s VAL 135 CO 0.08 0.44 0.23 -0.89 0.00 0.00 0.00 175.10 174.96 1yho s THR 136 N 1.18 5.27 -0.26 3.92 2.01 -0.82 -0.54 115.64 126.39 1yho s THR 136 Ca 0.02 -0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.66 1yho s THR 136 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1yho s THR 136 CO -0.01 0.03 0.61 -0.13 -0.69 0.00 0.00 174.62 174.43 1yho s ARG 137 N 1.72 4.08 -0.41 4.92 1.81 -0.26 0.79 118.95 131.60 1yho s ARG 137 Ca 0.06 0.47 -0.18 0.00 -1.72 0.00 0.00 55.73 54.36 1yho s ARG 137 Cb -0.17 -3.66 0.02 0.00 -0.45 0.00 0.00 34.95 30.68 1yho s ARG 137 CO 0.10 -0.42 0.51 0.42 -0.68 0.00 0.00 175.30 175.23 1yho s ILE 138 N 2.48 5.00 -1.07 1.52 -1.09 0.04 -0.81 121.20 127.27 1yho s ILE 138 Ca 0.25 -0.09 -0.21 0.00 -2.23 0.00 0.00 60.65 58.37 1yho s ILE 138 Cb -0.15 -4.07 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 1yho s ILE 138 CO 0.09 -0.43 1.93 0.80 -1.23 0.00 0.00 174.94 176.10 1yho n MET 139 N 5.81 1.89 -3.64 2.79 1.56 0.38 -1.04 117.12 124.86 1yho n MET 139 Ca -0.05 -2.35 -0.05 0.00 -0.27 0.00 0.00 57.70 54.97 1yho n MET 139 Cb 0.48 -3.35 -0.07 0.00 2.15 0.00 0.00 33.22 32.43 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 5.31 0.24 -0.12 2.12 -0.21 -1.26 -4.31 119.66 121.43 1yho s GLN 140 Ca 0.60 0.29 -0.27 0.00 0.02 0.00 0.00 55.36 56.00 1yho s GLN 140 Cb 0.07 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 34.18 1yho s GLN 140 CO 0.10 -0.03 0.91 0.16 -2.12 0.00 0.00 175.29 174.32 1yho s ASP 141 N 0.10 7.12 0.06 5.90 -4.77 -1.26 -3.98 116.67 119.84 1yho s ASP 141 Ca 0.06 1.37 -0.05 0.00 -3.30 0.00 0.00 52.55 50.63 1yho s ASP 141 Cb -0.05 -2.51 -0.02 0.00 -1.09 0.00 0.00 42.92 39.25 1yho s ASP 141 CO -0.12 -0.39 0.08 -0.36 0.70 0.00 0.00 175.17 175.08 1yho s PHE 142 N 1.92 0.32 0.12 2.11 0.08 -1.26 -5.11 117.98 116.15 1yho s PHE 142 Ca 0.44 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.42 1yho s PHE 142 Cb -0.18 -0.22 -0.06 0.00 -0.57 0.00 0.00 43.02 41.99 1yho s PHE 142 CO 0.16 -0.44 0.89 -1.21 -0.10 0.00 0.00 175.22 174.52 1yho s GLU 143 N -3.67 4.65 0.03 0.44 8.01 -1.26 -4.95 118.70 121.96 1yho s GLU 143 Ca 0.04 1.32 -0.05 0.00 0.01 0.00 0.00 54.97 56.29 1yho s GLU 143 Cb 0.05 -3.35 -0.01 0.00 -4.31 0.00 0.00 34.13 26.51 1yho s GLU 143 CO -0.09 0.32 0.08 -1.12 0.01 0.00 0.00 175.26 174.45 1yho s SER 144 N -0.31 0.19 -0.15 -0.19 0.01 -1.26 -4.59 113.70 107.39 1yho s SER 144 Ca 0.43 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.21 1yho s SER 144 Cb -0.23 0.21 -0.13 0.00 0.21 0.00 0.00 66.02 66.09 1yho s SER 144 CO 0.28 -0.49 -0.07 -0.67 0.41 0.00 0.00 173.24 172.70 1yho n ASP 145 N 0.85 2.36 -4.71 2.44 2.03 -1.16 -4.97 116.55 113.39 1yho n ASP 145 Ca -0.19 -0.05 -0.35 0.00 0.52 0.00 0.00 54.79 54.71 1yho n ASP 145 Cb 0.58 0.17 -0.09 0.00 -0.72 0.00 0.00 41.12 41.07 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1yho s THR 146 N -2.32 4.92 0.01 5.18 2.01 -1.21 -5.08 115.64 119.14 1yho s THR 146 Ca -0.16 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1yho s THR 146 Cb 0.05 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1yho s THR 146 CO 0.44 0.53 0.10 -0.36 -0.69 0.00 0.00 174.62 174.63 1yho s PHE 147 N -0.21 3.32 0.06 4.92 0.08 -1.26 -3.17 117.98 121.70 1yho s PHE 147 Ca 0.08 0.21 -0.19 0.00 0.12 0.00 0.00 56.93 57.15 1yho s PHE 147 Cb -0.12 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1yho s PHE 147 CO 0.01 0.56 0.57 0.12 -0.10 0.00 0.00 175.22 176.38 1yho s PHE 148 N -1.24 3.78 0.33 0.36 5.36 -0.97 -4.97 117.98 120.63 1yho s PHE 148 Ca 0.24 1.25 -0.29 0.00 -0.96 0.00 0.00 56.93 57.18 1yho s PHE 148 Cb -0.12 -2.51 -0.10 0.00 -0.34 0.00 0.00 43.02 39.95 1yho s PHE 148 CO 0.16 0.55 1.27 -1.25 -1.46 0.00 0.00 175.22 174.49 1yho s PRO 149 N -0.95 4.37 0.05 10.12 0.04 -1.26 -4.96 135.00 142.42 1yho s PRO 149 Ca 0.29 2.14 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1yho s PRO 149 Cb -0.19 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 1yho s PRO 149 CO 0.18 -0.15 1.49 -2.00 0.04 0.00 0.00 177.00 176.57 1yho s GLU 150 N -1.78 4.26 0.03 4.56 2.12 -1.26 -4.98 118.70 121.65 1yho s GLU 150 Ca 0.49 2.13 -0.26 0.00 0.36 0.00 0.00 54.97 57.69 1yho s GLU 150 Cb -0.38 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1yho s GLU 150 CO 0.51 -0.60 0.80 0.42 -0.54 0.00 0.00 175.26 175.84 1yho s ILE 151 N 2.16 4.76 -0.22 -3.70 1.01 -1.26 -5.01 121.20 118.94 1yho s ILE 151 Ca 0.68 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.73 1yho s ILE 151 Cb -0.36 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 1yho s ILE 151 CO 0.29 0.32 1.39 -1.81 0.00 0.00 0.00 174.94 175.13 1yho s ASP 152 N 0.18 6.69 0.40 3.58 1.11 -1.26 -4.89 116.67 122.47 1yho s ASP 152 Ca 0.41 1.52 0.18 0.00 0.18 0.00 0.00 52.55 54.83 1yho s ASP 152 Cb -0.20 -2.54 0.82 0.00 1.07 0.00 0.00 42.92 42.07 1yho s ASP 152 CO 0.24 -1.02 1.82 -0.07 1.18 0.00 0.00 175.17 177.32 1yho h LEU 153 N 10.68 0.00 -1.42 1.23 3.38 -1.96 0.47 115.31 127.70 1yho h LEU 153 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 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 1.00 0.34 -0.23 -0.08 0.09 0.00 0.00 178.44 179.56 1yho h GLU 154 N 0.00 0.09 0.00 1.13 4.81 -2.01 -3.16 114.58 115.43 1yho h GLU 154 Ca -0.00 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1yho h GLU 154 Cb 0.71 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 1yho h GLU 154 CO 0.04 0.32 -2.23 1.63 -0.73 0.00 0.00 179.01 178.05 1yho n LYS 155 N -4.23 1.04 -4.15 1.92 5.02 -1.03 -4.96 118.16 111.78 1yho n LYS 155 Ca -0.02 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 1yho n LYS 155 Cb 0.31 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1yho s TYR 156 N -2.43 3.34 -0.17 2.13 1.51 0.16 -2.18 117.35 119.72 1yho s TYR 156 Ca -0.11 0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 56.15 1yho s TYR 156 Cb 0.06 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1yho s TYR 156 CO 0.70 0.54 0.18 0.21 -1.11 0.00 0.00 175.55 176.07 1yho s LYS 157 N -0.80 4.05 -0.44 -0.62 2.47 0.24 -4.30 119.74 120.34 1yho s LYS 157 Ca 0.13 -0.10 -0.28 0.00 -1.56 0.00 0.00 55.97 54.16 1yho s LYS 157 Cb -0.12 -3.37 0.03 0.00 -1.46 0.00 0.00 37.83 32.91 1yho s LYS 157 CO 0.03 0.39 1.06 -0.51 0.16 0.00 0.00 175.35 176.47 1yho s LEU 158 N 0.07 3.80 -0.68 5.43 1.43 -1.26 -1.94 118.68 125.52 1yho s LEU 158 Ca 0.12 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1yho s LEU 158 Cb -0.12 -3.44 0.18 0.00 0.03 0.00 0.00 46.19 42.84 1yho s LEU 158 CO 0.01 -1.11 0.54 -0.76 0.23 0.00 0.00 176.35 175.26 1yho s LEU 159 N 4.08 5.74 0.33 1.79 2.01 0.26 -4.91 118.68 127.98 1yho s LEU 159 Ca 0.44 -2.77 0.12 0.00 0.01 0.00 0.00 54.13 51.94 1yho s LEU 159 Cb -0.09 -1.97 0.57 0.00 0.01 0.00 0.00 46.19 44.71 1yho s LEU 159 CO 0.27 -0.45 1.73 1.55 1.01 0.00 0.00 176.35 180.46 1yho h PRO 160 N 7.32 0.00 -3.31 1.29 0.13 -1.92 -1.89 132.00 133.63 1yho h PRO 160 Ca 0.02 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.62 1yho h PRO 160 Cb 0.98 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.71 1yho h PRO 160 CO 0.73 0.47 -0.76 -1.21 -0.23 0.00 0.00 178.00 177.00 1yho s GLU 161 N -3.90 0.47 0.02 0.86 2.02 -1.26 -4.65 118.70 112.26 1yho s GLU 161 Ca -0.02 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.50 1yho s GLU 161 Cb 0.13 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1yho s GLU 161 CO 0.74 -0.81 -0.21 -0.47 0.02 0.00 0.00 175.26 174.53 1yho s TYR 162 N 1.90 1.89 0.22 1.61 6.14 -1.26 -5.10 117.35 122.74 1yho s TYR 162 Ca 0.04 -0.37 -0.32 0.00 0.64 0.00 0.00 57.07 57.06 1yho s TYR 162 Cb -0.17 -1.17 -0.14 0.00 0.42 0.00 0.00 41.96 40.91 1yho s TYR 162 CO -0.18 0.04 1.36 -2.30 0.64 0.00 0.00 175.55 175.11 1yho n PRO 163 N 2.15 1.82 0.00 4.97 -0.02 -1.26 -1.80 135.00 140.86 1yho n PRO 163 Ca -0.16 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1yho n PRO 163 Cb 0.53 -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 2.21 2.74 3.87 -1.23 0.00 -1.26 -5.01 105.19 106.51 1yho n GLY 164 Ca 0.13 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.45 5.38 0.37 1.61 0.11 -0.75 -5.09 120.40 120.60 1yho s VAL 165 Ca 0.00 0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 1yho s VAL 165 Cb 0.00 -3.40 -0.10 0.00 -1.53 0.00 0.00 36.38 31.35 1yho s VAL 165 CO 0.00 0.52 0.98 -0.76 -3.33 0.00 0.00 175.10 172.51 1yho s LEU 166 N -1.33 4.18 -0.12 2.54 1.43 -1.26 -4.39 118.68 119.72 1yho s LEU 166 Ca 0.19 1.86 0.14 0.00 -1.03 0.00 0.00 54.13 55.29 1yho s LEU 166 Cb -0.12 -4.20 -0.19 0.00 0.03 0.00 0.00 46.19 41.71 1yho s LEU 166 CO 0.09 -0.28 0.10 -0.24 0.23 0.00 0.00 176.35 176.25 1yho n SER 167 N 0.06 1.35 -4.76 2.29 2.88 -1.26 -4.51 113.62 109.68 1yho n SER 167 Ca 0.04 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.20 1yho n SER 167 Cb 0.51 1.02 0.02 0.00 -0.75 0.00 0.00 64.21 65.00 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 -4.64 5.80 -0.07 -3.46 1.11 -1.26 -4.75 116.67 109.41 1yho s ASP 168 Ca -0.07 2.68 -0.30 0.00 0.18 0.00 0.00 52.55 55.04 1yho s ASP 168 Cb 0.05 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 1yho s ASP 168 CO 0.62 -1.20 1.13 -0.69 1.18 0.00 0.00 175.17 176.20 1yho s VAL 169 N -1.32 4.45 0.54 -1.27 1.01 -1.26 -4.75 120.40 117.80 1yho s VAL 169 Ca 0.65 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 64.34 1yho s VAL 169 Cb -0.38 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1yho s VAL 169 CO 0.47 0.01 0.82 -1.10 0.00 0.00 0.00 175.10 175.30 1yho s GLN 170 N 2.06 2.92 -0.11 2.72 1.11 -0.56 -4.90 119.66 122.90 1yho s GLN 170 Ca 0.53 -0.23 -0.04 0.00 0.01 0.00 0.00 55.36 55.63 1yho s GLN 170 Cb -0.23 -2.38 0.05 0.00 -1.01 0.00 0.00 33.01 29.45 1yho s GLN 170 CO 0.21 -0.58 0.22 -2.00 0.01 0.00 0.00 175.29 173.16 1yho s GLU 171 N -4.84 0.14 -0.05 2.91 2.12 -1.26 -2.05 118.70 115.68 1yho s GLU 171 Ca 0.52 0.60 -0.02 0.00 0.36 0.00 0.00 54.97 56.44 1yho s GLU 171 Cb -0.10 -0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.20 1yho s GLU 171 CO 0.42 -0.24 0.09 -1.21 -0.54 0.00 0.00 175.26 173.79 1yho s GLU 172 N 1.88 -0.00 -1.66 4.30 0.41 -0.45 -4.84 118.70 118.34 1yho s GLU 172 Ca -0.03 0.34 -0.01 0.00 -0.41 0.00 0.00 54.97 54.86 1yho s GLU 172 Cb -0.11 -0.29 0.00 0.00 -1.78 0.00 0.00 34.13 31.95 1yho s GLU 172 CO -0.08 -0.23 0.10 1.17 -0.49 0.00 0.00 175.26 175.74 1yho n LYS 173 N 4.62 -2.27 -1.03 1.61 4.81 -1.26 -0.94 118.16 123.70 1yho n LYS 173 Ca -0.19 0.94 -0.01 0.00 -0.87 0.00 0.00 58.31 58.18 1yho n LYS 173 Cb 0.50 -5.63 -0.00 0.00 0.02 0.00 0.00 35.03 29.92 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 -1.07 0.46 3.20 3.14 0.00 -1.26 -5.03 105.19 104.64 1yho n GLY 174 Ca -0.21 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 2.80 -0.08 -0.61 1.01 -0.11 -5.11 121.20 117.07 1yho s ILE 175 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 1yho s ILE 175 Cb 0.00 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1yho s ILE 175 CO 0.00 0.31 0.26 -0.54 0.00 0.00 0.00 174.94 174.98 1yho s LYS 176 N 1.35 3.78 0.02 2.79 1.02 -1.26 -1.35 119.74 126.09 1yho s LYS 176 Ca 0.02 0.10 -0.20 0.00 0.02 0.00 0.00 55.97 55.91 1yho s LYS 176 Cb -0.15 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1yho s LYS 176 CO -0.06 0.64 0.45 1.52 -0.92 0.00 0.00 175.35 176.99 1yho s TYR 177 N -0.75 -0.34 0.08 3.18 1.13 -0.87 -0.47 117.35 119.31 1yho s TYR 177 Ca 0.18 0.42 0.07 0.00 -1.41 0.00 0.00 57.07 56.33 1yho s TYR 177 Cb -0.14 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 1yho s TYR 177 CO 0.07 -0.56 -0.19 0.21 -2.51 0.00 0.00 175.55 172.58 1yho s LYS 178 N -2.05 1.08 -0.25 -3.49 2.36 0.01 -1.49 119.74 115.90 1yho s LYS 178 Ca -0.08 -1.02 -0.15 0.00 -2.55 0.00 0.00 55.97 52.17 1yho s LYS 178 Cb -0.02 -1.23 -0.04 0.00 -1.05 0.00 0.00 37.83 35.49 1yho s LYS 178 CO 0.01 0.29 0.37 -0.06 1.55 0.00 0.00 175.35 177.51 1yho s PHE 179 N -1.07 3.28 -0.01 4.03 0.40 -1.26 -1.10 117.98 122.25 1yho s PHE 179 Ca 0.04 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.85 1yho s PHE 179 Cb -0.09 -2.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 1yho s PHE 179 CO 0.03 -0.16 -0.09 -2.00 0.70 0.00 0.00 175.22 173.69 1yho s GLU 180 N 1.85 2.51 -0.08 0.44 2.12 0.30 -4.83 118.70 121.00 1yho s GLU 180 Ca 0.15 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1yho s GLU 180 Cb -0.15 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1yho s GLU 180 CO 0.09 0.61 -0.17 0.08 -0.54 0.00 0.00 175.26 175.32 1yho s VAL 181 N -0.93 2.73 -0.06 3.70 1.01 -0.71 -0.65 120.40 125.50 1yho s VAL 181 Ca 0.15 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1yho s VAL 181 Cb -0.11 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1yho s VAL 181 CO 0.06 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.23 1yho s TYR 182 N -0.11 1.82 -0.06 5.22 1.51 0.29 0.90 117.35 126.91 1yho s TYR 182 Ca -0.03 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 1yho s TYR 182 Cb -0.14 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1yho s TYR 182 CO 0.04 -0.22 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.04 1yho s GLU 183 N 0.19 2.42 -0.24 -0.62 2.12 -0.82 0.20 118.70 121.95 1yho s GLU 183 Ca -0.08 -0.79 -0.10 0.00 0.36 0.00 0.00 54.97 54.36 1yho s GLU 183 Cb -0.13 -1.99 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 1yho s GLU 183 CO 0.03 0.27 0.16 0.21 -0.54 0.00 0.00 175.26 175.39 1yho s LYS 184 N 0.07 4.04 0.33 4.30 2.36 -0.84 0.79 119.74 130.79 1yho s LYS 184 Ca -0.08 -0.29 -0.26 0.00 -2.55 0.00 0.00 55.97 52.79 1yho s LYS 184 Cb -0.14 -3.53 -0.09 0.00 -1.05 0.00 0.00 37.83 33.01 1yho s LYS 184 CO 0.05 0.03 0.99 1.21 1.55 0.00 0.00 175.35 179.18 1yho s ASN 185 N 1.12 7.23 0.00 1.43 2.47 -0.92 -3.85 114.94 122.41 1yho s ASN 185 Ca 0.07 1.96 0.24 0.00 0.42 0.00 0.00 52.86 55.55 1yho s ASN 185 Cb -0.14 -2.59 1.40 0.00 -1.45 0.00 0.00 41.25 38.47 1yho s ASN 185 CO 0.05 -0.15 1.77 -0.67 -3.72 0.00 0.00 177.10 174.38