#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 0.31 3.52 7.55 0.00 -1.11 -4.97 105.19 110.49 1yho n GLY 2 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.36 5.41 -0.25 1.61 0.01 -1.25 -4.99 113.70 111.88 1yho s SER 3 Ca 0.00 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1yho s SER 3 Cb 0.00 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1yho s SER 3 CO 0.00 0.03 0.25 -0.76 0.41 0.00 0.00 173.24 173.17 1yho s LEU 4 N 1.26 4.08 0.04 2.44 1.02 -1.26 -1.65 118.68 124.61 1yho s LEU 4 Ca 0.05 0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.46 1yho s LEU 4 Cb -0.14 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.80 1yho s LEU 4 CO 0.04 -0.04 -0.21 0.21 0.02 0.00 0.00 176.35 176.36 1yho s ASN 5 N 1.37 2.56 -0.01 2.29 2.47 0.11 -2.13 114.94 121.60 1yho s ASN 5 Ca 0.11 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1yho s ASN 5 Cb -0.15 -0.21 0.01 0.00 -1.45 0.00 0.00 41.25 39.44 1yho s ASN 5 CO 0.08 0.17 -0.01 0.00 -3.72 0.00 0.00 177.10 173.62 1yho s ILE 7 N 0.19 -0.22 0.00 0.00 2.07 -0.95 0.10 121.20 122.40 1yho s ILE 7 Ca -0.02 0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 59.35 1yho s ILE 7 Cb -0.03 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.20 1yho s ILE 7 CO -0.01 0.10 0.24 0.68 -1.91 0.00 0.00 174.94 174.04 1yho s VAL 8 N 1.86 0.08 0.09 4.00 -7.23 0.25 -4.49 120.40 114.96 1yho s VAL 8 Ca -0.03 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 1yho s VAL 8 Cb -0.11 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1yho s VAL 8 CO -0.08 -0.34 0.19 0.00 -0.31 0.00 0.00 175.10 174.56 1yho s ALA 9 N -1.62 3.86 -0.05 1.32 0.00 -1.26 -1.66 121.76 122.36 1yho s ALA 9 Ca -0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1yho s ALA 9 Cb -0.05 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.40 1yho s ALA 9 CO 0.02 0.72 0.20 0.14 0.00 0.00 0.00 175.76 176.83 1yho s VAL 10 N -1.55 0.03 0.77 0.00 -7.23 0.24 -4.73 120.40 107.94 1yho s VAL 10 Ca 0.33 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1yho s VAL 10 Cb -0.12 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.49 1yho s VAL 10 CO 0.26 -0.15 1.13 -0.44 -0.31 0.00 0.00 175.10 175.59 1yho s SER 11 N -0.55 4.83 0.65 4.85 0.01 0.15 -1.04 113.70 122.61 1yho s SER 11 Ca -0.06 1.00 0.42 0.00 1.31 0.00 0.00 55.95 58.61 1yho s SER 11 Cb -0.04 -1.65 2.31 0.00 0.21 0.00 0.00 66.02 66.85 1yho s SER 11 CO 0.01 -1.72 2.35 -0.61 0.41 0.00 0.00 173.24 173.68 1yho h GLN 12 N -0.92 0.00 -0.77 12.44 4.15 -1.09 -0.27 115.11 128.65 1yho h GLN 12 Ca -0.46 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.85 1yho h GLN 12 Cb 1.29 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.91 1yho h GLN 12 CO 0.64 0.00 0.14 0.09 -1.93 0.00 0.00 178.83 177.77 1yho n ASN 13 N -3.24 4.35 -2.37 -0.69 4.13 -1.26 -4.88 115.26 111.30 1yho n ASN 13 Ca -0.03 -2.86 -0.20 0.00 1.68 0.00 0.00 54.58 53.16 1yho n ASN 13 Cb 0.07 -0.68 -0.01 0.00 -1.54 0.00 0.00 39.78 37.63 1yho n ASN 13 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1yho n MET 14 N 0.13 -1.91 -4.00 3.52 2.81 -0.11 -4.98 117.12 112.58 1yho n MET 14 Ca 0.28 0.98 -0.27 0.00 -1.81 0.00 0.00 57.70 56.88 1yho n MET 14 Cb 1.10 -5.62 -0.04 0.00 -0.71 0.00 0.00 33.22 27.94 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 -2.14 1.82 -0.05 3.03 0.00 -1.24 -2.82 107.32 105.92 1yho s GLY 15 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 1yho s GLY 15 CO 0.03 -1.06 -0.05 0.29 0.00 0.00 0.00 173.10 172.31 1yho n ILE 16 N -0.23 0.29 0.00 0.90 -5.35 -1.12 0.29 119.36 114.14 1yho n ILE 16 Ca -0.07 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1yho n ILE 16 Cb 0.53 -0.90 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 3.12 1.22 3.73 3.28 0.00 -1.26 -4.37 105.19 110.91 1yho n GLY 17 Ca -0.09 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.61 4.07 -1.49 1.61 2.20 0.32 -3.56 119.74 122.29 1yho s LYS 18 Ca 0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1yho s LYS 18 Cb 0.00 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1yho s LYS 18 CO 0.00 0.35 0.00 -1.71 -0.36 0.00 0.00 175.35 173.63 1yho n ASN 19 N 3.34 -4.89 0.00 1.43 5.15 -1.26 -2.00 115.26 117.04 1yho n ASN 19 Ca -0.17 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1yho n ASN 19 Cb 0.52 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yho n GLY 20 N -1.00 0.39 3.02 8.20 0.00 -1.26 -5.05 105.19 109.49 1yho n GLY 20 Ca -0.19 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1yho n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yho s ASP 21 N -2.98 0.16 0.48 1.61 -1.08 -0.85 -4.96 116.67 109.05 1yho s ASP 21 Ca 0.00 -0.38 -0.23 0.00 -0.52 0.00 0.00 52.55 51.42 1yho s ASP 21 Cb 0.00 0.14 -0.07 0.00 -1.46 0.00 0.00 42.92 41.53 1yho s ASP 21 CO 0.00 -0.31 1.30 -0.76 0.52 0.00 0.00 175.17 175.92 1yho s LEU 22 N -1.38 4.00 0.15 -1.34 1.43 -1.26 0.12 118.68 120.39 1yho s LEU 22 Ca -0.15 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1yho s LEU 22 Cb -0.09 -4.15 0.01 0.00 0.03 0.00 0.00 46.19 41.99 1yho s LEU 22 CO -0.00 -1.19 1.57 1.55 0.23 0.00 0.00 176.35 178.51 1yho h PRO 23 N 1.98 0.88 -7.03 1.29 0.13 -1.88 -3.44 132.00 123.93 1yho h PRO 23 Ca -0.50 -0.31 -0.45 0.00 -0.87 0.00 0.00 66.00 63.87 1yho h PRO 23 Cb 1.27 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1yho h PRO 23 CO 0.60 0.95 0.35 1.67 -0.23 0.00 0.00 178.00 181.34 1yho s TRP 24 N -4.89 3.30 1.19 1.56 -2.14 -1.26 -4.96 118.94 111.73 1yho s TRP 24 Ca -0.12 1.63 -0.16 0.00 2.66 0.00 0.00 56.10 60.11 1yho s TRP 24 Cb 0.11 -2.92 0.28 0.00 -3.10 0.00 0.00 33.47 27.85 1yho s TRP 24 CO 0.83 -0.24 1.04 -1.25 -2.66 0.00 0.00 176.95 174.67 1yho s PRO 25 N -2.99 -1.10 -0.24 3.25 0.04 -1.26 -4.86 135.00 127.83 1yho s PRO 25 Ca 0.61 0.43 -0.39 0.00 0.04 0.00 0.00 61.00 61.69 1yho s PRO 25 Cb -0.13 -1.57 -0.15 0.00 0.04 0.00 0.00 34.50 32.70 1yho s PRO 25 CO 0.17 -3.74 1.78 -2.30 0.04 0.00 0.00 177.00 172.95 1yho n PRO 26 N -4.87 1.37 -3.77 0.56 -0.02 -1.26 -4.94 135.00 122.07 1yho n PRO 26 Ca 0.07 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.68 1yho n PRO 26 Cb 0.57 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.73 4.97 0.49 2.45 2.96 -1.26 -4.95 118.68 127.07 1yho s LEU 27 Ca 0.98 -1.78 0.14 0.00 -0.22 0.00 0.00 54.13 53.24 1yho s LEU 27 Cb -0.99 -1.83 1.16 0.00 0.50 0.00 0.00 46.19 45.03 1yho s LEU 27 CO 0.63 -0.49 2.13 -0.09 -1.32 0.00 0.00 176.35 177.21 1yho h ARG 28 N 8.10 0.13 -0.14 1.98 1.12 -1.98 -1.07 114.38 122.52 1yho h ARG 28 Ca -0.16 -0.01 -0.20 0.00 -1.11 0.00 0.00 59.98 58.50 1yho h ARG 28 Cb 1.06 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 1yho h ARG 28 CO 0.68 0.09 -0.70 -0.97 -3.11 0.00 0.00 179.97 175.95 1yho h ASN 29 N 0.14 0.73 -0.25 -3.80 -1.24 -1.98 -0.59 115.58 108.58 1yho h ASN 29 Ca 0.04 -0.45 -0.11 0.00 0.71 0.00 0.00 56.30 56.48 1yho h ASN 29 Cb -0.01 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 1yho h ASN 29 CO -0.01 1.22 -0.28 -0.08 -1.29 0.00 0.00 177.43 176.99 1yho h GLU 30 N 0.44 0.64 -0.18 6.67 4.81 -1.76 -0.47 114.58 124.73 1yho h GLU 30 Ca -0.03 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1yho h GLU 30 Cb 1.30 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1yho h GLU 30 CO 0.14 0.95 -0.21 0.74 -0.73 0.00 0.00 179.01 179.90 1yho h PHE 31 N 0.36 0.56 -0.38 0.92 -1.00 -1.27 -0.58 116.94 115.54 1yho h PHE 31 Ca 0.04 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 1yho h PHE 31 Cb 0.85 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 1yho h PHE 31 CO 0.08 0.84 0.14 -0.09 -1.61 0.00 0.00 178.31 177.67 1yho h ARG 32 N 0.11 0.59 -0.35 1.51 2.43 -1.14 0.37 114.38 117.89 1yho h ARG 32 Ca 0.02 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1yho h ARG 32 Cb 0.76 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1yho h ARG 32 CO 0.05 0.58 0.02 -0.92 -1.51 0.00 0.00 179.97 178.19 1yho h TYR 33 N 0.47 0.66 -0.15 2.20 3.20 -1.11 0.17 116.97 122.42 1yho h TYR 33 Ca 0.13 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1yho h TYR 33 Cb 0.23 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1yho h TYR 33 CO 0.00 0.70 0.07 0.35 -1.64 0.00 0.00 178.16 177.64 1yho h PHE 34 N 0.43 0.23 -0.30 -3.82 3.04 -0.99 0.09 116.94 115.62 1yho h PHE 34 Ca 0.10 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1yho h PHE 34 Cb 0.42 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1yho h PHE 34 CO 0.03 0.28 0.01 1.96 -2.02 0.00 0.00 178.31 178.57 1yho h GLN 35 N 0.11 0.52 -0.76 1.11 4.20 -0.89 -2.20 115.11 117.21 1yho h GLN 35 Ca 0.05 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1yho h GLN 35 Cb 0.14 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1yho h GLN 35 CO -0.01 0.65 0.47 -0.09 -0.67 0.00 0.00 178.83 179.18 1yho h ARG 36 N 0.31 1.01 0.21 1.46 1.12 -0.57 0.30 114.38 118.23 1yho h ARG 36 Ca 0.09 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1yho h ARG 36 Cb 0.41 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1yho h ARG 36 CO 0.01 0.70 -0.10 1.98 -3.11 0.00 0.00 179.97 179.45 1yho h MET 37 N 1.03 -0.27 -0.35 0.20 4.05 -0.81 0.40 114.93 119.19 1yho h MET 37 Ca 0.27 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.67 1yho h MET 37 Cb -0.07 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1yho h MET 37 CO -0.05 0.00 0.06 1.79 0.23 0.00 0.00 176.91 178.94 1yho h THR 38 N -0.53 1.24 -0.17 -0.77 1.35 -1.20 -3.16 112.91 109.66 1yho h THR 38 Ca -0.03 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 1yho h THR 38 Cb 0.40 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1yho h THR 38 CO 0.05 0.28 0.04 0.71 -0.25 0.00 0.00 175.52 176.34 1yho h THR 39 N 0.41 1.21 -0.66 6.82 1.35 -0.42 -3.37 112.91 118.25 1yho h THR 39 Ca 0.11 -0.67 -0.31 0.00 -0.55 0.00 0.00 66.41 64.98 1yho h THR 39 Cb 0.35 1.34 -0.05 0.00 -1.73 0.00 0.00 68.15 68.06 1yho h THR 39 CO 0.01 0.20 0.85 -0.89 -0.25 0.00 0.00 175.52 175.45 1yho s THR 40 N -5.24 3.49 0.25 6.82 2.01 0.14 -4.94 115.64 118.17 1yho s THR 40 Ca -0.14 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1yho s THR 40 Cb 0.06 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1yho s THR 40 CO 0.71 -0.99 0.52 -0.44 -0.69 0.00 0.00 174.62 173.73 1yho s SER 41 N 7.51 6.50 -0.55 3.53 0.01 -1.26 -4.84 113.70 124.60 1yho s SER 41 Ca 0.69 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1yho s SER 41 Cb -0.05 -2.15 0.50 0.00 0.21 0.00 0.00 66.02 64.53 1yho s SER 41 CO 0.03 -0.12 1.97 -1.20 0.41 0.00 0.00 173.24 174.33 1yho n SER 42 N -0.55 6.11 -3.36 2.44 7.64 -1.26 -4.81 113.62 119.83 1yho n SER 42 Ca -0.01 -3.63 -0.05 0.00 1.01 0.00 0.00 58.87 56.19 1yho n SER 42 Cb 0.53 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 1yho n SER 42 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1yho s VAL 43 N -3.98 -0.73 0.13 0.44 -7.23 -1.26 -5.14 120.40 102.62 1yho s VAL 43 Ca 0.58 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.44 1yho s VAL 43 Cb 0.47 -0.85 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 1yho s VAL 43 CO 0.03 -0.06 1.01 -0.70 -0.31 0.00 0.00 175.10 175.08 1yho s GLU 44 N 2.65 4.66 0.00 4.82 2.12 -1.26 -3.37 118.70 128.32 1yho s GLU 44 Ca 0.12 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.99 1yho s GLU 44 Cb -0.15 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1yho s GLU 44 CO -0.17 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1yho n GLY 45 N 2.23 0.59 3.28 -1.50 0.00 -1.26 -5.05 105.19 103.47 1yho n GLY 45 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.80 1.11 0.02 1.61 -0.14 -1.22 -4.99 119.74 115.34 1yho s LYS 46 Ca 0.00 -1.27 0.09 0.00 -1.36 0.00 0.00 55.97 53.43 1yho s LYS 46 Cb 0.00 -1.13 -0.03 0.00 -1.68 0.00 0.00 37.83 35.00 1yho s LYS 46 CO 0.00 0.23 -0.25 -0.65 -0.76 0.00 0.00 175.35 173.92 1yho s GLN 47 N -2.53 1.83 -0.08 1.68 -0.21 -0.54 -4.98 119.66 114.83 1yho s GLN 47 Ca 0.10 -1.03 -0.09 0.00 0.02 0.00 0.00 55.36 54.37 1yho s GLN 47 Cb -0.06 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1yho s GLN 47 CO 0.04 0.51 0.22 -0.80 -2.12 0.00 0.00 175.29 173.14 1yho s ASN 48 N -1.02 6.50 -0.21 5.90 0.01 -1.26 -2.98 114.94 121.87 1yho s ASN 48 Ca 0.11 0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 52.79 1yho s ASN 48 Cb -0.10 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 1yho s ASN 48 CO 0.01 0.37 0.02 -0.22 -1.51 0.00 0.00 177.10 175.77 1yho s LEU 49 N -1.14 3.31 0.05 0.60 0.20 -0.97 -1.95 118.68 118.79 1yho s LEU 49 Ca 0.19 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.86 1yho s LEU 49 Cb -0.13 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1yho s LEU 49 CO 0.08 0.04 -0.08 0.68 -0.29 0.00 0.00 176.35 176.78 1yho s VAL 50 N 1.15 3.54 -0.14 1.68 -7.23 -0.11 -1.39 120.40 117.90 1yho s VAL 50 Ca 0.03 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1yho s VAL 50 Cb -0.14 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1yho s VAL 50 CO 0.02 0.26 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.29 1yho s ILE 51 N -1.11 2.77 0.13 -0.62 -1.09 -0.72 -0.97 121.20 119.60 1yho s ILE 51 Ca 0.19 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 57.92 1yho s ILE 51 Cb -0.11 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1yho s ILE 51 CO 0.11 0.52 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.18 1yho s MET 52 N 0.64 1.03 0.61 2.79 -1.94 0.15 -1.65 119.30 120.93 1yho s MET 52 Ca -0.08 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 52.55 1yho s MET 52 Cb -0.16 -0.73 0.05 0.00 2.01 0.00 0.00 34.83 36.00 1yho s MET 52 CO 0.03 0.12 0.87 0.20 -0.01 0.00 0.00 175.02 176.22 1yho s GLY 53 N -2.82 1.78 0.21 -0.03 0.00 -1.07 -1.81 107.32 103.58 1yho s GLY 53 Ca 0.13 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1yho s GLY 53 CO 0.02 -0.89 1.87 1.70 0.00 0.00 0.00 173.10 175.80 1yho h LYS 54 N -0.20 0.92 -0.32 2.90 3.64 -1.95 0.17 116.57 121.73 1yho h LYS 54 Ca -0.42 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1yho h LYS 54 Cb 1.30 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1yho h LYS 54 CO 0.54 0.61 0.17 0.87 -2.27 0.00 0.00 179.45 179.36 1yho h LYS 55 N 0.94 0.44 -0.24 1.90 1.57 -1.95 -0.04 116.57 119.20 1yho h LYS 55 Ca 0.27 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1yho h LYS 55 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1yho h LYS 55 CO -0.07 0.38 -0.00 1.15 -0.57 0.00 0.00 179.45 180.34 1yho h THR 56 N 0.39 1.26 -0.71 -0.16 2.02 -1.86 0.17 112.91 114.02 1yho h THR 56 Ca 0.11 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1yho h THR 56 Cb 0.07 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1yho h THR 56 CO -0.02 0.28 0.45 -0.25 0.37 0.00 0.00 175.52 176.36 1yho h TRP 57 N 0.20 0.85 0.00 3.16 2.91 -0.55 -0.82 115.95 121.71 1yho h TRP 57 Ca 0.07 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1yho h TRP 57 Cb 0.41 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 1yho h TRP 57 CO 0.04 0.50 0.00 0.74 -1.03 0.00 0.00 178.44 178.69 1yho h PHE 58 N 0.90 0.00 0.00 2.65 0.04 -0.91 -3.18 116.94 116.44 1yho h PHE 58 Ca 0.28 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.87 1yho h PHE 58 Cb -0.03 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1yho h PHE 58 CO -0.03 0.00 -0.87 0.77 -0.60 0.00 0.00 178.31 177.57 1yho h SER 59 N 0.00 0.00 -3.01 2.17 0.02 0.38 -3.45 113.55 109.66 1yho h SER 59 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1yho h SER 59 Cb 0.85 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.40 1yho h SER 59 CO 0.00 0.80 0.73 -0.63 -1.14 0.00 0.00 176.83 176.58 1yho s ILE 60 N -2.81 3.59 0.80 3.27 1.01 -0.41 -5.00 121.20 121.65 1yho s ILE 60 Ca 0.02 1.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 1yho s ILE 60 Cb 0.09 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.94 1yho s ILE 60 CO 0.79 0.06 1.13 -2.16 0.00 0.00 0.00 174.94 174.76 1yho s PRO 61 N 1.52 1.85 0.41 2.79 0.04 -1.26 -4.81 135.00 135.54 1yho s PRO 61 Ca 0.63 1.43 0.21 0.00 0.04 0.00 0.00 61.00 63.30 1yho s PRO 61 Cb -0.34 -1.83 0.86 0.00 0.04 0.00 0.00 34.50 33.24 1yho s PRO 61 CO 0.29 -1.99 1.82 1.49 0.04 0.00 0.00 177.00 178.65 1yho h GLU 62 N -1.13 0.00 -0.61 4.56 4.81 -1.95 -0.94 114.58 119.32 1yho h GLU 62 Ca -0.44 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 58.95 1yho h GLU 62 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1yho h GLU 62 CO 0.48 0.30 0.43 0.87 -0.73 0.00 0.00 179.01 180.36 1yho h LYS 63 N 0.00 0.09 0.00 1.92 1.57 -1.99 -2.65 116.57 115.50 1yho h LYS 63 Ca -0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 1yho h LYS 63 Cb 0.75 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1yho h LYS 63 CO 0.04 0.06 -1.75 0.09 -0.57 0.00 0.00 179.45 177.32 1yho n ASN 64 N -4.39 2.28 -4.75 0.86 3.02 -1.12 -4.99 115.26 106.16 1yho n ASN 64 Ca 0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1yho n ASN 64 Cb 0.62 0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 40.54 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 -2.29 4.82 0.65 3.52 3.52 -0.37 -2.99 118.95 125.81 1yho s ARG 65 Ca -0.05 1.45 -0.15 0.00 -0.13 0.00 0.00 55.73 56.84 1yho s ARG 65 Cb 0.03 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1yho s ARG 65 CO 0.45 0.52 1.11 -1.25 -0.81 0.00 0.00 175.30 175.33 1yho s PRO 66 N -1.17 2.86 -0.57 5.12 0.04 -1.26 -4.67 135.00 135.34 1yho s PRO 66 Ca 0.40 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1yho s PRO 66 Cb -0.26 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1yho s PRO 66 CO 0.31 -1.20 1.12 -1.17 0.04 0.00 0.00 177.00 176.10 1yho s LEU 67 N -4.80 3.64 0.61 -3.56 1.98 -1.16 -5.02 118.68 110.36 1yho s LEU 67 Ca 0.67 -0.03 -0.13 0.00 -2.89 0.00 0.00 54.13 51.75 1yho s LEU 67 Cb -0.20 -3.06 -0.04 0.00 0.66 0.00 0.00 46.19 43.54 1yho s LEU 67 CO 0.41 -1.41 1.03 -0.75 -1.89 0.00 0.00 176.35 173.74 1yho s LYS 68 N 4.67 3.47 0.00 1.98 2.36 -1.26 -3.88 119.74 127.08 1yho s LYS 68 Ca 0.39 0.94 0.00 0.00 -2.55 0.00 0.00 55.97 54.76 1yho s LYS 68 Cb -0.09 -2.06 0.00 0.00 -1.05 0.00 0.00 37.83 34.63 1yho s LYS 68 CO 0.24 -0.67 0.00 0.41 1.55 0.00 0.00 175.35 176.88 1yho n GLY 69 N -1.91 3.04 2.96 5.54 0.00 -1.26 -5.00 105.19 108.56 1yho n GLY 69 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.22 0.27 -0.20 1.61 1.04 -1.25 -4.71 118.95 115.48 1yho s ARG 70 Ca 0.00 -0.38 -0.29 0.00 -1.04 0.00 0.00 55.73 54.02 1yho s ARG 70 Cb 0.00 -0.07 -0.00 0.00 -2.04 0.00 0.00 34.95 32.84 1yho s ARG 70 CO 0.00 0.01 1.18 0.42 -0.04 0.00 0.00 175.30 176.87 1yho s ILE 71 N -0.79 4.42 -0.14 4.99 1.01 -0.82 -4.84 121.20 125.03 1yho s ILE 71 Ca -0.07 1.71 -0.15 0.00 0.00 0.00 0.00 60.65 62.13 1yho s ILE 71 Cb -0.06 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1yho s ILE 71 CO -0.00 -0.18 0.36 0.20 0.00 0.00 0.00 174.94 175.32 1yho s ASN 72 N 1.74 6.53 -0.06 3.58 -0.87 -1.26 -0.94 114.94 123.66 1yho s ASN 72 Ca 0.51 0.63 0.04 0.00 -1.57 0.00 0.00 52.86 52.47 1yho s ASN 72 Cb -0.19 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 1yho s ASN 72 CO 0.12 0.07 -0.18 -0.22 -2.57 0.00 0.00 177.10 174.32 1yho s LEU 73 N 0.46 1.90 -0.11 0.60 0.20 -0.14 -1.43 118.68 120.16 1yho s LEU 73 Ca 0.20 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.58 1yho s LEU 73 Cb -0.14 -1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1yho s LEU 73 CO 0.06 0.13 0.02 -0.69 -0.29 0.00 0.00 176.35 175.59 1yho s VAL 74 N 0.24 4.45 -0.31 1.68 1.01 -0.85 0.31 120.40 126.92 1yho s VAL 74 Ca -0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1yho s VAL 74 Cb -0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1yho s VAL 74 CO 0.04 0.57 0.17 -0.76 0.00 0.00 0.00 175.10 175.12 1yho s LEU 75 N -0.55 4.17 -0.10 3.92 1.43 -0.75 -1.95 118.68 124.85 1yho s LEU 75 Ca 0.10 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1yho s LEU 75 Cb -0.12 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1yho s LEU 75 CO 0.02 -0.19 0.25 -0.55 0.23 0.00 0.00 176.35 176.11 1yho s SER 76 N 1.65 -0.26 -0.12 2.29 0.15 -0.90 -4.17 113.70 112.33 1yho s SER 76 Ca 0.05 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.41 1yho s SER 76 Cb -0.17 0.48 -0.28 0.00 -1.71 0.00 0.00 66.02 64.34 1yho s SER 76 CO 0.07 -0.11 0.27 0.54 1.20 0.00 0.00 173.24 175.21 1yho n ARG 77 N 3.37 0.67 0.09 5.44 1.74 -1.26 -4.00 116.66 122.71 1yho n ARG 77 Ca -0.17 -0.07 -0.20 0.00 -0.77 0.00 0.00 57.85 56.64 1yho n ARG 77 Cb 0.57 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 1yho n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1yho h GLU 78 N 0.00 0.34 -6.59 5.56 4.39 -1.96 -3.46 114.58 112.87 1yho h GLU 78 Ca -0.32 -0.59 -0.52 0.00 0.34 0.00 0.00 59.36 58.28 1yho h GLU 78 Cb 1.73 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 30.57 1yho h GLU 78 CO 0.02 1.24 0.18 -1.17 -1.16 0.00 0.00 179.01 178.11 1yho s LEU 79 N -7.19 4.48 -0.26 1.33 0.20 -1.26 -4.99 118.68 110.98 1yho s LEU 79 Ca -0.10 1.59 -0.03 0.00 0.69 0.00 0.00 54.13 56.28 1yho s LEU 79 Cb 0.06 -3.49 -0.15 0.00 -0.43 0.00 0.00 46.19 42.18 1yho s LEU 79 CO 0.87 0.11 -0.27 0.29 -0.29 0.00 0.00 176.35 177.07 1yho n LYS 80 N 1.16 0.62 -3.65 1.98 5.02 -1.26 -4.84 118.16 117.20 1yho n LYS 80 Ca -0.04 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 1yho n LYS 80 Cb 0.50 -1.50 -0.04 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 -2.51 3.61 0.54 1.97 2.02 -1.26 -5.00 118.70 118.07 1yho s GLU 81 Ca -0.36 -0.10 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 1yho s GLU 81 Cb 0.11 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1yho s GLU 81 CO 0.56 0.44 1.17 -1.25 0.02 0.00 0.00 175.26 176.19 1yho s PRO 82 N -2.81 3.31 0.62 0.39 0.04 -1.26 -5.01 135.00 130.27 1yho s PRO 82 Ca 0.41 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 1yho s PRO 82 Cb -0.12 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1yho s PRO 82 CO 0.25 -0.91 1.07 -1.25 0.04 0.00 0.00 177.00 176.21 1yho s PRO 83 N -3.17 3.15 0.13 0.56 0.04 -1.26 -4.95 135.00 129.49 1yho s PRO 83 Ca 0.72 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 1yho s PRO 83 Cb -0.27 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1yho s PRO 83 CO 0.31 -0.95 1.83 0.94 0.04 0.00 0.00 177.00 179.17 1yho n GLN 84 N -2.18 2.79 0.00 4.56 7.27 -1.26 -1.54 117.38 127.02 1yho n GLN 84 Ca 0.09 1.01 0.00 0.00 0.07 0.00 0.00 57.00 58.18 1yho n GLN 84 Cb 0.53 -2.91 0.00 0.00 2.41 0.00 0.00 30.24 30.27 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1yho n GLY 85 N 4.22 3.18 3.80 1.69 0.00 -1.26 -5.02 105.19 111.81 1yho n GLY 85 Ca 0.18 0.00 -0.33 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 -2.90 2.83 -0.06 4.61 0.00 -0.59 -4.71 121.76 120.94 1yho s ALA 86 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1yho s ALA 86 Cb 0.00 -3.23 -0.30 0.00 0.00 0.00 0.00 23.12 19.59 1yho s ALA 86 CO 0.00 -0.53 0.63 0.45 0.00 0.00 0.00 175.76 176.31 1yho h HIS 87 N 0.99 0.68 -3.25 0.00 3.86 -1.55 -3.47 115.15 112.41 1yho h HIS 87 Ca -0.48 -0.50 -0.05 0.00 -1.16 0.00 0.00 60.37 58.18 1yho h HIS 87 Cb 1.22 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 1yho h HIS 87 CO 0.58 1.68 -0.02 -0.06 0.86 0.00 0.00 177.93 180.98 1yho s PHE 88 N -2.58 -0.28 0.02 2.45 0.08 -1.05 -5.01 117.98 111.61 1yho s PHE 88 Ca -0.17 0.03 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1yho s PHE 88 Cb 0.06 0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1yho s PHE 88 CO 0.84 -0.71 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.95 1yho s LEU 89 N -2.67 2.12 -0.01 -0.37 2.96 -1.26 -2.02 118.68 117.43 1yho s LEU 89 Ca 0.01 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1yho s LEU 89 Cb 0.01 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1yho s LEU 89 CO -0.11 0.07 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.33 1yho s SER 90 N -0.86 1.38 0.12 3.68 0.15 -0.82 -4.96 113.70 112.39 1yho s SER 90 Ca 0.02 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1yho s SER 90 Cb -0.07 -0.20 -0.16 0.00 -1.71 0.00 0.00 66.02 63.88 1yho s SER 90 CO 0.01 0.13 1.26 -0.09 1.20 0.00 0.00 173.24 175.75 1yho h ARG 91 N 5.97 0.20 -3.80 5.44 1.12 -1.88 -2.38 114.38 119.04 1yho h ARG 91 Ca -0.33 -0.28 -0.11 0.00 -1.11 0.00 0.00 59.98 58.15 1yho h ARG 91 Cb 1.17 0.10 -0.16 0.00 -0.01 0.00 0.00 29.97 31.07 1yho h ARG 91 CO 0.49 1.08 -0.45 -1.54 -3.11 0.00 0.00 179.97 176.43 1yho s SER 92 N -6.98 0.16 0.47 -3.80 1.04 -1.26 -4.24 113.70 99.09 1yho s SER 92 Ca -0.03 -0.60 0.13 0.00 0.48 0.00 0.00 55.95 55.93 1yho s SER 92 Cb 0.09 0.28 1.09 0.00 0.10 0.00 0.00 66.02 67.58 1yho s SER 92 CO 0.85 -0.62 2.09 -0.07 0.98 0.00 0.00 173.24 176.47 1yho h LEU 93 N 3.20 0.15 -0.48 2.42 3.38 -1.99 -2.07 115.31 119.91 1yho h LEU 93 Ca -0.33 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1yho h LEU 93 Cb 1.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1yho h LEU 93 CO 0.54 0.14 0.05 0.44 0.09 0.00 0.00 178.44 179.70 1yho h ASP 94 N 0.17 0.80 -0.11 -0.43 5.19 -1.99 -1.44 116.42 118.61 1yho h ASP 94 Ca 0.04 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 1yho h ASP 94 Cb 0.05 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 1yho h ASP 94 CO -0.00 0.88 -0.00 -0.78 -3.12 0.00 0.00 179.24 176.21 1yho h ASP 95 N 0.69 0.19 -0.80 6.45 3.58 -1.81 -1.94 116.42 122.78 1yho h ASP 95 Ca 0.14 -0.31 0.03 0.00 0.42 0.00 0.00 57.03 57.31 1yho h ASP 95 Cb 0.44 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 1yho h ASP 95 CO 0.02 0.46 0.53 0.00 -2.88 0.00 0.00 179.24 177.36 1yho h ALA 96 N 0.74 1.51 -0.39 -0.78 0.00 -1.36 -1.77 119.26 117.21 1yho h ALA 96 Ca 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1yho h ALA 96 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yho h ALA 96 CO 0.01 0.42 -0.24 -0.07 0.00 0.00 0.00 179.25 179.36 1yho h LEU 97 N 1.00 0.80 -0.89 0.00 3.38 -1.14 -2.38 115.31 116.08 1yho h LEU 97 Ca 0.32 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1yho h LEU 97 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1yho h LEU 97 CO -0.09 1.01 0.15 0.50 0.09 0.00 0.00 178.44 180.10 1yho h LYS 98 N 0.68 0.97 -0.16 1.13 1.63 -0.53 -1.32 116.57 118.97 1yho h LYS 98 Ca 0.09 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1yho h LYS 98 Cb 0.76 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1yho h LYS 98 CO 0.06 0.86 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.83 1yho h LEU 99 N 0.93 0.30 -1.87 5.20 3.38 -1.23 -0.21 115.31 121.81 1yho h LEU 99 Ca 0.20 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1yho h LEU 99 Cb 0.33 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1yho h LEU 99 CO 0.00 0.58 -0.13 0.74 0.09 0.00 0.00 178.44 179.72 1yho h THR 100 N 0.00 0.76 0.00 0.22 2.02 -1.29 -1.94 112.91 112.68 1yho h THR 100 Ca 0.04 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1yho h THR 100 Cb 0.45 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1yho h THR 100 CO 0.01 0.13 -0.81 -0.33 0.37 0.00 0.00 175.52 174.89 1yho h GLU 101 N 0.00 0.00 -7.13 6.66 5.08 -1.01 -3.36 114.58 114.81 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 0.30 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.68 1yho h GLU 101 CO 0.02 0.17 0.45 -0.65 -1.00 0.00 0.00 179.01 178.00 1yho s GLN 102 N -3.14 2.73 0.33 2.33 -1.52 -0.11 -4.76 119.66 115.51 1yho s GLN 102 Ca 0.01 1.78 0.07 0.00 -1.95 0.00 0.00 55.36 55.27 1yho s GLN 102 Cb 0.08 -1.90 0.56 0.00 -0.22 0.00 0.00 33.01 31.53 1yho s GLN 102 CO 0.76 -1.38 1.78 -1.00 -0.25 0.00 0.00 175.29 175.20 1yho h PRO 103 N 0.49 0.26 -0.37 2.91 0.13 -1.91 0.71 132.00 134.23 1yho h PRO 103 Ca -0.49 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1yho h PRO 103 Cb 1.29 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1yho h PRO 103 CO 0.54 0.54 0.12 0.93 -0.23 0.00 0.00 178.00 179.90 1yho h GLU 104 N 0.23 0.52 0.00 0.86 4.39 -1.92 -2.74 114.58 115.92 1yho h GLU 104 Ca 0.03 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1yho h GLU 104 Cb 0.65 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1yho h GLU 104 CO 0.05 0.46 -1.97 1.28 -1.16 0.00 0.00 179.01 177.66 1yho n LEU 105 N -4.37 0.00 0.28 1.33 4.32 -1.08 -4.32 117.00 113.16 1yho n LEU 105 Ca 0.02 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.17 1yho n LEU 105 Cb 0.16 0.11 0.79 0.00 -1.62 0.00 0.00 43.42 42.85 1yho n LEU 105 CO 0.37 0.11 1.00 0.00 -1.22 0.00 0.00 177.39 177.65 1yho h ALA 106 N 1.56 1.14 -0.04 -1.18 0.00 0.62 0.84 119.26 122.20 1yho h ALA 106 Ca -0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1yho h ALA 106 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1yho h ALA 106 CO 0.01 0.10 -0.63 -0.91 0.00 0.00 0.00 179.25 177.81 1yho h ASN 107 N 0.00 0.16 0.00 0.00 2.35 -1.68 -3.31 115.58 113.10 1yho h ASN 107 Ca -0.00 -0.10 -0.31 0.00 -0.55 0.00 0.00 56.30 55.34 1yho h ASN 107 Cb 0.35 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1yho h ASN 107 CO 0.01 0.75 -2.18 2.29 -1.65 0.00 0.00 177.43 176.65 1yho n LYS 108 N -3.83 1.17 -4.18 0.81 2.85 -0.90 -4.91 118.16 109.17 1yho n LYS 108 Ca -0.02 -0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.92 1yho n LYS 108 Cb 0.63 -1.44 -0.08 0.00 -0.65 0.00 0.00 35.03 33.49 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1yho s VAL 109 N -2.42 4.24 0.12 0.58 1.01 0.29 -1.47 120.40 122.75 1yho s VAL 109 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1yho s VAL 109 Cb 0.05 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1yho s VAL 109 CO 0.69 0.25 0.00 -0.67 0.00 0.00 0.00 175.10 175.38 1yho n ASP 110 N 0.97 0.22 -4.72 3.32 2.03 -1.16 -4.23 116.55 112.99 1yho n ASP 110 Ca -0.12 0.19 -0.26 0.00 0.52 0.00 0.00 54.79 55.12 1yho n ASP 110 Cb 0.52 0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 1yho n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yho s MET 111 N -1.55 2.59 0.01 -0.67 -1.94 -1.26 -2.75 119.30 113.73 1yho s MET 111 Ca 0.00 -1.03 0.07 0.00 -1.71 0.00 0.00 55.69 53.02 1yho s MET 111 Cb 0.00 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 1yho s MET 111 CO 0.00 0.46 -0.22 0.08 -0.01 0.00 0.00 175.02 175.33 1yho s VAL 112 N -1.77 2.41 -0.08 -6.03 1.01 -0.66 -2.28 120.40 113.00 1yho s VAL 112 Ca 0.29 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1yho s VAL 112 Cb -0.09 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1yho s VAL 112 CO 0.20 0.47 -0.09 0.26 0.00 0.00 0.00 175.10 175.94 1yho s TRP 113 N -0.76 1.37 -0.24 5.22 0.52 -0.48 0.04 118.94 124.61 1yho s TRP 113 Ca 0.12 -0.58 -0.22 0.00 0.02 0.00 0.00 56.10 55.44 1yho s TRP 113 Cb -0.10 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1yho s TRP 113 CO 0.01 -0.38 0.71 0.42 0.02 0.00 0.00 176.95 177.73 1yho s ILE 114 N 1.21 4.94 -0.38 2.03 -1.09 0.26 -1.76 121.20 126.41 1yho s ILE 114 Ca -0.05 1.31 0.05 0.00 -2.23 0.00 0.00 60.65 59.74 1yho s ILE 114 Cb -0.14 -4.01 0.46 0.00 -1.58 0.00 0.00 42.46 37.19 1yho s ILE 114 CO -0.02 0.01 1.39 0.52 -1.23 0.00 0.00 174.94 175.61 1yho n VAL 115 N 5.10 2.78 0.00 2.92 0.31 -0.66 -2.25 118.33 126.54 1yho n VAL 115 Ca 0.02 -3.88 0.00 0.00 -0.01 0.00 0.00 64.34 60.47 1yho n VAL 115 Cb 0.49 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.77 0.10 0.00 2.92 0.00 -1.25 -4.74 105.19 101.45 1yho n GLY 116 Ca 0.48 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 0.26 0.31 0.28 -0.02 0.00 -1.26 -2.60 105.19 102.16 1yho n GLY 117 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 1yho n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1yho h SER 118 N 0.00 0.59 -0.44 1.61 0.02 -1.98 -2.36 113.55 111.00 1yho h SER 118 Ca 0.00 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1yho h SER 118 Cb 0.00 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1yho h SER 118 CO 0.00 0.66 0.26 -1.28 -1.14 0.00 0.00 176.83 175.33 1yho h SER 119 N 0.59 0.41 -0.34 3.07 0.87 -2.00 -0.58 113.55 115.58 1yho h SER 119 Ca 0.12 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1yho h SER 119 Cb 0.38 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1yho h SER 119 CO 0.01 0.29 -0.10 0.58 -0.53 0.00 0.00 176.83 177.08 1yho h VAL 120 N 0.52 1.26 -0.60 2.23 2.07 -1.82 -2.51 116.25 117.40 1yho h VAL 120 Ca 0.17 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1yho h VAL 120 Cb 0.01 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1yho h VAL 120 CO -0.08 0.40 0.12 0.22 0.02 0.00 0.00 177.57 178.24 1yho h TYR 121 N 0.70 0.99 0.13 1.57 3.20 -0.89 -1.34 116.97 121.34 1yho h TYR 121 Ca 0.12 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1yho h TYR 121 Cb 0.58 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1yho h TYR 121 CO 0.03 0.83 -0.06 -0.22 -1.64 0.00 0.00 178.16 177.10 1yho h LYS 122 N 0.90 -0.17 -0.85 1.82 3.64 -0.88 -1.17 116.57 119.86 1yho h LYS 122 Ca 0.19 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1yho h LYS 122 Cb 0.36 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1yho h LYS 122 CO 0.01 0.12 0.56 0.93 -2.27 0.00 0.00 179.45 178.79 1yho h GLU 123 N -0.45 1.09 -0.00 1.90 3.07 -1.38 -1.55 114.58 117.25 1yho h GLU 123 Ca -0.02 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1yho h GLU 123 Cb 0.36 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1yho h GLU 123 CO 0.03 0.72 -0.47 0.00 -1.40 0.00 0.00 179.01 177.89 1yho h ALA 124 N 1.48 1.23 0.00 3.43 0.00 -1.15 -2.63 119.26 121.62 1yho h ALA 124 Ca 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yho h ALA 124 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yho h ALA 124 CO -0.08 0.58 0.00 0.52 0.00 0.00 0.00 179.25 180.27 1yho h MET 125 N 0.01 0.00 -0.73 0.00 2.86 -0.14 -1.49 114.93 115.44 1yho h MET 125 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1yho h MET 125 Cb 0.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1yho h MET 125 CO 0.06 0.00 0.03 0.09 1.06 0.00 0.00 176.91 178.15 1yho n ASN 126 N -2.65 4.29 -4.73 1.22 3.02 -0.99 -4.93 115.26 110.49 1yho n ASN 126 Ca -0.01 -2.69 -0.40 0.00 -0.03 0.00 0.00 54.58 51.45 1yho n ASN 126 Cb 0.13 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.61 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 -2.25 3.70 0.08 3.10 3.76 -0.56 -4.97 115.29 118.15 1yho s HIS 127 Ca 0.38 1.50 -0.10 0.00 -0.15 0.00 0.00 55.06 56.70 1yho s HIS 127 Cb 0.30 -2.89 -0.22 0.00 1.11 0.00 0.00 32.58 30.87 1yho s HIS 127 CO 0.11 0.19 1.18 -1.00 -0.85 0.00 0.00 174.74 174.37 1yho h PRO 128 N 6.04 0.51 -7.27 8.40 0.13 -1.91 -3.47 132.00 134.44 1yho h PRO 128 Ca -0.43 -0.65 -0.47 0.00 -0.87 0.00 0.00 66.00 63.58 1yho h PRO 128 Cb 1.21 0.21 0.18 0.00 0.13 0.00 0.00 31.00 32.72 1yho h PRO 128 CO 0.72 1.27 0.16 0.20 -0.23 0.00 0.00 178.00 180.13 1yho s GLY 129 N -4.45 1.60 0.24 1.56 0.00 -1.26 -4.49 107.32 100.52 1yho s GLY 129 Ca -0.07 -0.02 -0.31 0.00 0.00 0.00 0.00 44.72 44.32 1yho s GLY 129 CO 0.91 0.55 1.64 -1.58 0.00 0.00 0.00 173.10 174.62 1yho s HIS 130 N -2.74 2.87 -0.07 1.90 2.46 -1.26 -4.89 115.29 113.56 1yho s HIS 130 Ca 0.66 0.57 -0.09 0.00 0.47 0.00 0.00 55.06 56.68 1yho s HIS 130 Cb -0.21 -4.08 0.02 0.00 -0.13 0.00 0.00 32.58 28.19 1yho s HIS 130 CO 0.60 -3.86 0.23 -1.17 -2.47 0.00 0.00 174.74 168.06 1yho s LEU 131 N 0.45 1.14 -0.19 8.88 0.20 -1.26 -4.20 118.68 123.70 1yho s LEU 131 Ca 0.69 0.35 -0.07 0.00 0.69 0.00 0.00 54.13 55.79 1yho s LEU 131 Cb -0.48 0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 46.07 1yho s LEU 131 CO 0.39 -0.15 0.05 -0.75 -0.29 0.00 0.00 176.35 175.59 1yho s LYS 132 N -0.20 3.85 -0.23 1.98 2.47 -0.91 -1.47 119.74 125.23 1yho s LYS 132 Ca -0.03 -0.40 -0.05 0.00 -1.56 0.00 0.00 55.97 53.93 1yho s LYS 132 Cb -0.03 -3.19 -0.01 0.00 -1.46 0.00 0.00 37.83 33.14 1yho s LYS 132 CO 0.01 0.16 -0.01 -1.17 0.16 0.00 0.00 175.35 174.51 1yho s LEU 133 N 0.65 3.07 -0.22 5.43 0.20 0.15 -0.71 118.68 127.26 1yho s LEU 133 Ca 0.02 -0.33 -0.06 0.00 0.69 0.00 0.00 54.13 54.45 1yho s LEU 133 Cb -0.13 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 1yho s LEU 133 CO 0.02 -0.02 0.03 -0.36 -0.29 0.00 0.00 176.35 175.72 1yho s PHE 134 N 1.52 3.06 -0.03 5.38 0.40 0.29 0.10 117.98 128.70 1yho s PHE 134 Ca 0.06 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 1yho s PHE 134 Cb -0.14 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1yho s PHE 134 CO -0.01 -0.27 -0.19 0.14 0.70 0.00 0.00 175.22 175.59 1yho s VAL 135 N 1.19 1.54 -0.19 -0.44 -7.23 -0.41 -0.58 120.40 114.28 1yho s VAL 135 Ca 0.04 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1yho s VAL 135 Cb -0.14 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1yho s VAL 135 CO 0.02 0.44 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.22 1yho s THR 136 N -0.25 2.65 -0.14 5.32 2.01 -0.66 -0.85 115.64 123.72 1yho s THR 136 Ca 0.02 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 1yho s THR 136 Cb -0.10 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1yho s THR 136 CO 0.01 0.49 0.35 -0.13 -0.69 0.00 0.00 174.62 174.65 1yho s ARG 137 N 1.28 4.27 -0.32 4.92 1.81 -0.42 0.83 118.95 131.32 1yho s ARG 137 Ca 0.03 0.21 -0.08 0.00 -1.72 0.00 0.00 55.73 54.18 1yho s ARG 137 Cb -0.14 -3.42 0.02 0.00 -0.45 0.00 0.00 34.95 30.95 1yho s ARG 137 CO -0.07 0.22 0.11 0.42 -0.68 0.00 0.00 175.30 175.30 1yho s ILE 138 N 0.48 4.08 -1.14 1.52 -1.09 -0.20 0.22 121.20 125.07 1yho s ILE 138 Ca 0.19 -0.77 -0.21 0.00 -2.23 0.00 0.00 60.65 57.63 1yho s ILE 138 Cb -0.14 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1yho s ILE 138 CO 0.06 -0.01 1.69 -0.32 -1.23 0.00 0.00 174.94 175.12 1yho s MET 139 N 1.50 3.49 -0.30 2.79 1.75 0.93 -0.68 119.30 128.78 1yho s MET 139 Ca 0.02 -1.39 -0.16 0.00 -1.25 0.00 0.00 55.69 52.91 1yho s MET 139 Cb -0.18 -5.38 0.16 0.00 2.84 0.00 0.00 34.83 32.27 1yho s MET 139 CO 0.03 -2.60 1.02 -1.14 -0.65 0.00 0.00 175.02 171.69 1yho s GLN 140 N 5.10 0.29 0.01 4.11 -0.44 -1.26 -4.09 119.66 123.37 1yho s GLN 140 Ca 0.55 0.62 -0.30 0.00 -2.50 0.00 0.00 55.36 53.73 1yho s GLN 140 Cb 0.01 0.26 -0.07 0.00 -1.64 0.00 0.00 33.01 31.57 1yho s GLN 140 CO 0.01 -0.08 1.79 -0.51 0.50 0.00 0.00 175.29 177.00 1yho s ASP 141 N 1.96 6.56 0.09 6.67 1.11 -1.26 -4.32 116.67 127.47 1yho s ASP 141 Ca -0.05 2.47 -0.10 0.00 0.18 0.00 0.00 52.55 55.05 1yho s ASP 141 Cb -0.05 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1yho s ASP 141 CO -0.16 -0.98 0.22 -0.36 1.18 0.00 0.00 175.17 175.07 1yho s PHE 142 N 3.99 0.09 -0.17 4.23 0.08 -1.26 -5.11 117.98 119.83 1yho s PHE 142 Ca 0.80 -0.47 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 1yho s PHE 142 Cb -0.38 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 1yho s PHE 142 CO 0.35 -0.55 0.09 -2.00 -0.10 0.00 0.00 175.22 173.01 1yho s GLU 143 N -3.68 3.90 0.09 0.44 2.12 -1.26 -4.82 118.70 115.49 1yho s GLU 143 Ca 0.03 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1yho s GLU 143 Cb 0.04 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1yho s GLU 143 CO -0.10 0.38 -0.07 -1.54 -0.54 0.00 0.00 175.26 173.39 1yho s SER 144 N 0.08 1.19 -0.14 -1.70 1.04 -1.26 -4.69 113.70 108.22 1yho s SER 144 Ca 0.07 -0.91 0.11 0.00 0.48 0.00 0.00 55.95 55.69 1yho s SER 144 Cb -0.12 0.07 -0.16 0.00 0.10 0.00 0.00 66.02 65.91 1yho s SER 144 CO 0.00 -0.39 0.02 -0.67 0.98 0.00 0.00 173.24 173.18 1yho n ASP 145 N 0.25 1.75 -4.65 7.02 2.03 -1.26 -4.94 116.55 116.75 1yho n ASP 145 Ca -0.14 -0.01 -0.37 0.00 0.52 0.00 0.00 54.79 54.79 1yho n ASP 145 Cb 0.59 0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 41.57 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 -2.34 5.35 -0.01 5.18 2.01 -1.23 -5.06 115.64 119.55 1yho s THR 146 Ca -0.09 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1yho s THR 146 Cb 0.04 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1yho s THR 146 CO 0.54 0.33 0.18 -0.36 -0.69 0.00 0.00 174.62 174.62 1yho s PHE 147 N 1.17 3.55 0.04 4.92 0.08 -1.26 -2.77 117.98 123.71 1yho s PHE 147 Ca 0.08 0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.35 1yho s PHE 147 Cb -0.14 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.43 1yho s PHE 147 CO 0.06 0.65 0.42 0.12 -0.10 0.00 0.00 175.22 176.36 1yho s PHE 148 N -1.33 3.67 0.50 0.36 5.36 -1.13 -4.95 117.98 120.46 1yho s PHE 148 Ca 0.28 0.94 -0.21 0.00 -0.96 0.00 0.00 56.93 56.97 1yho s PHE 148 Cb -0.13 -2.26 -0.08 0.00 -0.34 0.00 0.00 43.02 40.21 1yho s PHE 148 CO 0.19 0.58 0.89 -2.30 -1.46 0.00 0.00 175.22 173.13 1yho n PRO 149 N 1.42 1.03 -2.70 10.12 -0.02 -1.26 -4.92 135.00 138.67 1yho n PRO 149 Ca -0.11 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1yho n PRO 149 Cb 0.52 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1yho n PRO 149 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1yho s GLU 150 N -2.24 4.39 0.10 -0.52 8.01 -1.26 -5.01 118.70 122.16 1yho s GLU 150 Ca 0.68 1.36 -0.30 0.00 0.01 0.00 0.00 54.97 56.72 1yho s GLU 150 Cb -0.49 -3.56 -0.06 0.00 -4.31 0.00 0.00 34.13 25.71 1yho s GLU 150 CO 0.53 -0.36 1.11 0.42 0.01 0.00 0.00 175.26 176.98 1yho s ILE 151 N 2.17 4.13 -0.23 -1.63 1.01 -1.26 -5.02 121.20 120.38 1yho s ILE 151 Ca 0.47 1.65 -0.13 0.00 0.00 0.00 0.00 60.65 62.64 1yho s ILE 151 Cb -0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1yho s ILE 151 CO 0.16 0.20 0.28 -1.81 0.00 0.00 0.00 174.94 173.77 1yho s ASP 152 N 0.54 6.25 0.36 3.58 1.01 -1.26 -4.96 116.67 122.19 1yho s ASP 152 Ca 0.53 0.28 0.14 0.00 0.71 0.00 0.00 52.55 54.22 1yho s ASP 152 Cb -0.28 -2.17 0.67 0.00 1.01 0.00 0.00 42.92 42.16 1yho s ASP 152 CO 0.31 -0.03 1.77 0.25 0.21 0.00 0.00 175.17 177.69 1yho h LEU 153 N 7.74 0.00 -1.36 1.23 7.12 -1.96 0.82 115.31 128.90 1yho h LEU 153 Ca -0.36 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.58 1yho h LEU 153 Cb 1.17 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1yho h LEU 153 CO 0.67 0.42 -0.28 -0.08 -0.13 0.00 0.00 178.44 179.04 1yho h GLU 154 N 0.00 0.06 0.00 1.25 4.22 -2.02 -3.20 114.58 114.90 1yho h GLU 154 Ca -0.00 -0.02 -0.31 0.00 0.08 0.00 0.00 59.36 59.11 1yho h GLU 154 Cb 0.79 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 1yho h GLU 154 CO 0.05 0.34 -2.16 1.63 -2.18 0.00 0.00 179.01 176.69 1yho n LYS 155 N -4.19 1.16 -4.50 1.92 5.02 -1.05 -4.98 118.16 111.55 1yho n LYS 155 Ca -0.02 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 1yho n LYS 155 Cb 0.34 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.41 2.68 -0.14 2.13 1.51 0.28 -2.02 117.35 119.38 1yho s TYR 156 Ca -0.11 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 1yho s TYR 156 Cb 0.05 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1yho s TYR 156 CO 0.67 0.33 0.11 0.21 -1.11 0.00 0.00 175.55 175.76 1yho s LYS 157 N -1.64 3.61 -0.31 -0.62 2.36 -0.36 -3.99 119.74 118.80 1yho s LYS 157 Ca 0.17 -0.21 -0.27 0.00 -2.55 0.00 0.00 55.97 53.11 1yho s LYS 157 Cb -0.11 -3.20 0.01 0.00 -1.05 0.00 0.00 37.83 33.49 1yho s LYS 157 CO 0.08 0.61 0.99 -1.17 1.55 0.00 0.00 175.35 177.41 1yho s LEU 158 N -0.55 3.99 -0.57 5.43 0.20 -1.26 -1.20 118.68 124.72 1yho s LEU 158 Ca 0.12 0.95 0.01 0.00 0.69 0.00 0.00 54.13 55.90 1yho s LEU 158 Cb -0.12 -3.41 0.15 0.00 -0.43 0.00 0.00 46.19 42.38 1yho s LEU 158 CO 0.02 -0.79 0.35 -0.76 -0.29 0.00 0.00 176.35 174.87 1yho s LEU 159 N 3.43 4.71 0.06 -0.68 2.01 0.29 -4.99 118.68 123.50 1yho s LEU 159 Ca 0.42 -2.99 -0.29 0.00 0.01 0.00 0.00 54.13 51.28 1yho s LEU 159 Cb -0.13 -1.73 -0.15 0.00 0.01 0.00 0.00 46.19 44.19 1yho s LEU 159 CO 0.14 -0.28 1.44 -0.65 1.01 0.00 0.00 176.35 178.01 1yho h PRO 160 N 6.66 -0.88 -4.63 1.29 0.11 -1.93 -1.57 132.00 131.05 1yho h PRO 160 Ca -0.05 0.06 -0.69 0.00 0.11 0.00 0.00 66.00 65.43 1yho h PRO 160 Cb 0.91 0.20 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 1yho h PRO 160 CO 0.70 -0.59 -0.46 -1.21 -0.21 0.00 0.00 178.00 176.23 1yho s GLU 161 N -5.25 3.30 -0.05 1.05 2.02 -1.26 -4.43 118.70 114.08 1yho s GLU 161 Ca -0.15 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.11 1yho s GLU 161 Cb 0.02 -3.87 -0.00 0.00 0.10 0.00 0.00 34.13 30.38 1yho s GLU 161 CO 0.46 -0.56 -0.19 -0.47 0.02 0.00 0.00 175.26 174.53 1yho s TYR 162 N 1.71 1.88 0.27 1.61 6.14 -1.26 -5.07 117.35 122.62 1yho s TYR 162 Ca 0.06 -0.54 -0.30 0.00 0.64 0.00 0.00 57.07 56.92 1yho s TYR 162 Cb -0.18 -1.26 -0.13 0.00 0.42 0.00 0.00 41.96 40.81 1yho s TYR 162 CO 0.10 -0.18 1.33 -2.30 0.64 0.00 0.00 175.55 175.14 1yho n PRO 163 N 3.10 1.97 0.00 4.97 -0.02 -1.26 -2.07 135.00 141.69 1yho n PRO 163 Ca -0.18 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1yho n PRO 163 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.63 2.75 3.65 -1.23 0.00 -1.26 -5.01 105.19 105.73 1yho n GLY 164 Ca 0.09 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.42 4.33 0.34 1.61 0.11 -0.88 -5.10 120.40 119.39 1yho s VAL 165 Ca 0.00 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 1yho s VAL 165 Cb 0.00 -2.85 -0.10 0.00 -1.53 0.00 0.00 36.38 31.90 1yho s VAL 165 CO 0.00 0.57 0.98 -0.76 -3.33 0.00 0.00 175.10 172.56 1yho s LEU 166 N -0.55 4.30 -0.08 2.54 1.43 -1.26 -4.36 118.68 120.70 1yho s LEU 166 Ca 0.09 1.91 0.15 0.00 -1.03 0.00 0.00 54.13 55.25 1yho s LEU 166 Cb -0.12 -4.04 -0.23 0.00 0.03 0.00 0.00 46.19 41.83 1yho s LEU 166 CO 0.02 -0.18 0.23 -1.20 0.23 0.00 0.00 176.35 175.45 1yho n SER 167 N 0.43 1.26 -4.77 2.29 7.64 -1.26 -4.36 113.62 114.85 1yho n SER 167 Ca 0.03 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.51 1yho n SER 167 Cb 0.50 1.37 0.01 0.00 -1.01 0.00 0.00 64.21 65.08 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1yho s ASP 168 N -4.30 6.12 0.23 6.43 1.01 -1.26 -4.46 116.67 120.43 1yho s ASP 168 Ca -0.07 2.88 -0.31 0.00 0.71 0.00 0.00 52.55 55.77 1yho s ASP 168 Cb 0.08 -2.65 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 1yho s ASP 168 CO 0.65 -1.01 1.51 -0.69 0.21 0.00 0.00 175.17 175.84 1yho s VAL 169 N -1.19 2.56 -0.02 -1.27 1.01 -1.26 -4.76 120.40 115.47 1yho s VAL 169 Ca 0.58 0.45 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1yho s VAL 169 Cb -0.43 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1yho s VAL 169 CO 0.56 0.06 -0.08 -1.10 0.00 0.00 0.00 175.10 174.54 1yho s GLN 170 N 0.13 2.58 -0.12 2.72 -0.21 -0.80 -4.96 119.66 119.00 1yho s GLN 170 Ca 0.64 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 55.35 1yho s GLN 170 Cb -0.43 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.09 1yho s GLN 170 CO 0.40 0.62 -0.18 -2.00 -2.12 0.00 0.00 175.29 172.01 1yho s GLU 171 N -1.22 2.49 -0.04 2.91 2.12 -1.26 -1.73 118.70 121.96 1yho s GLU 171 Ca 0.15 -0.66 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 1yho s GLU 171 Cb -0.11 -2.06 0.03 0.00 0.26 0.00 0.00 34.13 32.26 1yho s GLU 171 CO 0.05 -0.03 0.08 -2.00 -0.54 0.00 0.00 175.26 172.82 1yho s GLU 172 N 0.88 -0.02 -1.64 4.30 2.56 -0.02 -4.83 118.70 119.93 1yho s GLU 172 Ca -0.08 0.33 -0.00 0.00 0.00 0.00 0.00 54.97 55.22 1yho s GLU 172 Cb -0.15 -0.32 0.00 0.00 2.00 0.00 0.00 34.13 35.66 1yho s GLU 172 CO -0.01 -0.24 0.05 1.17 -0.56 0.00 0.00 175.26 175.68 1yho n LYS 173 N 4.69 -2.05 -1.00 4.30 0.00 -1.26 -0.82 118.16 122.02 1yho n LYS 173 Ca -0.17 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1yho n LYS 173 Cb 0.50 -5.60 0.00 0.00 0.00 0.00 0.00 35.03 29.93 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yho n GLY 174 N -1.02 0.42 3.21 3.14 0.00 -1.26 -5.03 105.19 104.64 1yho n GLY 174 Ca -0.22 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 2.55 -0.08 -0.61 1.01 0.00 -5.11 121.20 116.95 1yho s ILE 175 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1yho s ILE 175 Cb 0.00 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1yho s ILE 175 CO 0.00 0.51 0.11 -0.54 0.00 0.00 0.00 174.94 175.02 1yho s LYS 176 N 1.16 3.30 0.11 2.79 1.02 -1.26 -0.84 119.74 126.02 1yho s LYS 176 Ca 0.01 -0.26 -0.17 0.00 0.02 0.00 0.00 55.97 55.57 1yho s LYS 176 Cb -0.14 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1yho s LYS 176 CO -0.06 0.73 0.42 1.52 -0.92 0.00 0.00 175.35 177.04 1yho s TYR 177 N -1.07 -0.25 0.28 3.18 1.13 -0.71 -0.05 117.35 119.87 1yho s TYR 177 Ca 0.18 0.00 0.09 0.00 -1.41 0.00 0.00 57.07 55.93 1yho s TYR 177 Cb -0.12 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 1yho s TYR 177 CO 0.07 -0.69 -0.14 0.15 -2.51 0.00 0.00 175.55 172.44 1yho s LYS 178 N -3.52 1.61 -0.18 -3.49 1.02 0.13 -1.90 119.74 113.41 1yho s LYS 178 Ca 0.01 -1.77 -0.02 0.00 0.02 0.00 0.00 55.97 54.21 1yho s LYS 178 Cb 0.01 -1.50 -0.00 0.00 -0.52 0.00 0.00 37.83 35.82 1yho s LYS 178 CO -0.10 0.20 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.36 1yho s PHE 179 N -2.73 2.87 0.04 3.18 0.40 -1.26 -1.30 117.98 119.18 1yho s PHE 179 Ca 0.29 -1.00 0.09 0.00 -0.60 0.00 0.00 56.93 55.71 1yho s PHE 179 Cb -0.01 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1yho s PHE 179 CO 0.13 -0.50 -0.25 -1.21 0.70 0.00 0.00 175.22 174.09 1yho s GLU 180 N 1.10 1.73 -0.06 0.44 2.02 -0.03 -4.72 118.70 119.17 1yho s GLU 180 Ca 0.00 -1.05 0.05 0.00 0.02 0.00 0.00 54.97 53.99 1yho s GLU 180 Cb -0.15 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1yho s GLU 180 CO -0.03 0.49 -0.22 0.08 0.02 0.00 0.00 175.26 175.60 1yho s VAL 181 N -0.78 2.29 -0.01 2.63 1.01 -0.59 -1.29 120.40 123.66 1yho s VAL 181 Ca 0.11 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1yho s VAL 181 Cb -0.10 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1yho s VAL 181 CO 0.02 0.57 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 1yho s TYR 182 N -0.20 1.82 0.08 5.22 2.02 0.28 0.10 117.35 126.67 1yho s TYR 182 Ca -0.02 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1yho s TYR 182 Cb -0.13 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1yho s TYR 182 CO 0.03 -0.03 0.03 -2.00 -1.57 0.00 0.00 175.55 172.01 1yho s GLU 183 N -0.50 2.67 -0.28 -0.62 2.12 -0.34 0.34 118.70 122.09 1yho s GLU 183 Ca 0.08 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 1yho s GLU 183 Cb -0.08 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 1yho s GLU 183 CO -0.01 0.55 0.12 0.21 -0.54 0.00 0.00 175.26 175.59 1yho s LYS 184 N -2.30 3.54 0.05 4.30 2.36 -0.54 -1.22 119.74 125.93 1yho s LYS 184 Ca 0.27 -0.57 -0.17 0.00 -2.55 0.00 0.00 55.97 52.95 1yho s LYS 184 Cb -0.12 -3.46 -0.06 0.00 -1.05 0.00 0.00 37.83 33.14 1yho s LYS 184 CO 0.19 -0.29 0.50 1.21 1.55 0.00 0.00 175.35 178.51 1yho s ASN 185 N 1.63 6.94 0.00 1.43 2.47 -0.86 -4.17 114.94 122.38 1yho s ASN 185 Ca 0.06 1.12 0.28 0.00 0.42 0.00 0.00 52.86 54.74 1yho s ASN 185 Cb -0.16 -2.31 1.05 0.00 -1.45 0.00 0.00 41.25 38.38 1yho s ASN 185 CO 0.05 0.29 1.75 -0.90 -3.72 0.00 0.00 177.10 174.57