#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 0.36 3.51 2.92 0.00 -1.16 -5.03 105.19 105.80 1yho n GLY 2 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.94 5.18 -0.21 1.61 0.01 -1.26 -5.06 113.70 111.04 1yho s SER 3 Ca 0.00 -0.10 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 1yho s SER 3 Cb 0.00 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1yho s SER 3 CO 0.00 0.08 0.09 -0.76 0.41 0.00 0.00 173.24 173.07 1yho s LEU 4 N 0.90 3.85 -0.13 2.44 1.02 -1.26 -1.93 118.68 123.58 1yho s LEU 4 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.23 1yho s LEU 4 Cb -0.14 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.09 1yho s LEU 4 CO 0.02 0.11 -0.12 0.20 0.02 0.00 0.00 176.35 176.59 1yho s ASN 5 N 0.75 2.45 -0.32 2.29 0.01 -0.43 -2.19 114.94 117.51 1yho s ASN 5 Ca 0.05 -0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 51.70 1yho s ASN 5 Cb -0.13 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.50 1yho s ASN 5 CO 0.02 -0.07 0.14 0.00 -1.51 0.00 0.00 177.10 175.67 1yho s ILE 7 N 1.55 1.43 0.03 0.00 2.07 -0.92 0.10 121.20 125.47 1yho s ILE 7 Ca 0.03 -0.56 -0.17 0.00 -1.41 0.00 0.00 60.65 58.54 1yho s ILE 7 Cb -0.18 -1.35 0.03 0.00 0.13 0.00 0.00 42.46 41.10 1yho s ILE 7 CO 0.05 0.43 0.38 0.68 -1.91 0.00 0.00 174.94 174.57 1yho s VAL 8 N 1.36 0.06 0.09 4.00 -7.23 -0.39 -4.33 120.40 113.96 1yho s VAL 8 Ca 0.01 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1yho s VAL 8 Cb -0.13 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1yho s VAL 8 CO -0.07 -0.28 0.20 0.00 -0.31 0.00 0.00 175.10 174.64 1yho s ALA 9 N -2.28 3.89 0.01 1.32 0.00 -1.26 -1.92 121.76 121.51 1yho s ALA 9 Ca -0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1yho s ALA 9 Cb -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1yho s ALA 9 CO -0.01 0.72 0.18 0.14 0.00 0.00 0.00 175.76 176.79 1yho s VAL 10 N -1.56 0.09 0.65 0.00 -7.23 0.28 -4.74 120.40 107.89 1yho s VAL 10 Ca 0.34 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.70 1yho s VAL 10 Cb -0.12 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1yho s VAL 10 CO 0.27 -0.39 1.02 -0.94 -0.31 0.00 0.00 175.10 174.75 1yho s SER 11 N -1.54 5.61 0.64 4.85 1.04 0.21 -0.75 113.70 123.76 1yho s SER 11 Ca -0.12 1.04 0.38 0.00 0.48 0.00 0.00 55.95 57.72 1yho s SER 11 Cb -0.06 -1.94 2.15 0.00 0.10 0.00 0.00 66.02 66.27 1yho s SER 11 CO 0.01 -1.18 2.31 -0.61 0.98 0.00 0.00 173.24 174.75 1yho h GLN 12 N -0.44 0.00 -0.79 4.02 4.15 -1.37 -0.07 115.11 120.61 1yho h GLN 12 Ca -0.45 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.82 1yho h GLN 12 Cb 1.24 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.84 1yho h GLN 12 CO 0.63 0.00 0.19 -1.71 -1.93 0.00 0.00 178.83 176.01 1yho n ASN 13 N -3.41 4.35 -2.86 -0.69 2.85 -1.26 -4.88 115.26 109.36 1yho n ASN 13 Ca -0.03 -2.94 -0.20 0.00 -0.11 0.00 0.00 54.58 51.30 1yho n ASN 13 Cb 0.09 -0.69 0.05 0.00 1.24 0.00 0.00 39.78 40.46 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 0.02 -5.32 -4.04 1.20 2.81 -0.04 -4.94 117.12 106.80 1yho n MET 14 Ca 0.32 0.77 -0.29 0.00 -1.81 0.00 0.00 57.70 56.68 1yho n MET 14 Cb 1.17 -5.43 -0.06 0.00 -0.71 0.00 0.00 33.22 28.19 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 -2.95 1.94 -0.03 3.03 0.00 -1.23 -1.41 107.32 106.67 1yho s GLY 15 Ca 0.36 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 1yho s GLY 15 CO 0.45 -1.04 -0.03 0.29 0.00 0.00 0.00 173.10 172.77 1yho n ILE 16 N 0.16 0.16 0.00 0.90 -5.35 -1.14 0.65 119.36 114.75 1yho n ILE 16 Ca -0.08 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1yho n ILE 16 Cb 0.52 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 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 3.29 1.27 3.19 3.28 0.00 -1.26 -4.26 105.19 110.70 1yho n GLY 17 Ca -0.05 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1yho n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yho s LYS 18 N -2.00 2.75 -1.58 1.61 -2.85 0.30 -2.58 119.74 115.40 1yho s LYS 18 Ca 0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 1yho s LYS 18 Cb 0.00 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.64 1yho s LYS 18 CO 0.00 0.18 0.00 0.09 0.10 0.00 0.00 175.35 175.72 1yho n ASN 19 N 3.49 -5.22 -0.06 0.03 4.13 -1.26 -1.75 115.26 114.62 1yho n ASN 19 Ca -0.19 0.04 -0.01 0.00 1.68 0.00 0.00 54.58 56.10 1yho n ASN 19 Cb 0.53 -4.30 -0.00 0.00 -1.54 0.00 0.00 39.78 34.47 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yho n GLY 20 N -0.99 0.42 3.07 7.41 0.00 -1.26 -5.04 105.19 108.80 1yho n GLY 20 Ca -0.21 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.99 0.80 0.48 1.61 2.15 -0.72 -4.86 116.67 113.14 1yho s ASP 21 Ca 0.00 -0.64 -0.24 0.00 0.43 0.00 0.00 52.55 52.11 1yho s ASP 21 Cb 0.00 0.06 -0.07 0.00 -0.30 0.00 0.00 42.92 42.61 1yho s ASP 21 CO 0.00 -0.28 1.31 -0.76 -0.17 0.00 0.00 175.17 175.27 1yho s LEU 22 N -1.86 4.01 0.24 -1.34 1.43 -1.26 0.11 118.68 120.02 1yho s LEU 22 Ca -0.07 2.65 -0.07 0.00 -1.03 0.00 0.00 54.13 55.62 1yho s LEU 22 Cb -0.07 -4.13 0.24 0.00 0.03 0.00 0.00 46.19 42.27 1yho s LEU 22 CO -0.01 -1.19 1.91 -0.65 0.23 0.00 0.00 176.35 176.64 1yho h PRO 23 N 2.02 1.29 -6.20 1.29 0.11 -1.82 -3.43 132.00 125.25 1yho h PRO 23 Ca -0.50 -0.09 -0.57 0.00 0.11 0.00 0.00 66.00 64.95 1yho h PRO 23 Cb 1.27 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1yho h PRO 23 CO 0.60 0.87 -0.30 1.67 -0.21 0.00 0.00 178.00 180.63 1yho s TRP 24 N -6.07 3.47 1.13 0.65 -2.14 -1.26 -4.79 118.94 109.93 1yho s TRP 24 Ca -0.13 0.55 -0.17 0.00 2.66 0.00 0.00 56.10 59.01 1yho s TRP 24 Cb 0.18 -2.00 0.16 0.00 -3.10 0.00 0.00 33.47 28.70 1yho s TRP 24 CO 0.82 0.41 0.30 -2.30 -2.66 0.00 0.00 176.95 173.52 1yho n PRO 25 N -0.04 -1.81 -1.83 3.25 -0.02 -1.26 -4.84 135.00 128.45 1yho n PRO 25 Ca -0.02 -0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 60.53 1yho n PRO 25 Cb 0.52 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1yho n PRO 25 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yho s PRO 26 N -3.71 4.11 -0.19 0.52 0.04 -1.26 -4.98 135.00 129.52 1yho s PRO 26 Ca 0.60 2.38 -0.08 0.00 0.04 0.00 0.00 61.00 63.93 1yho s PRO 26 Cb -0.16 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1yho s PRO 26 CO 0.66 -0.96 0.09 -1.17 0.04 0.00 0.00 177.00 175.65 1yho s LEU 27 N 4.44 3.92 0.12 -3.56 2.96 -1.26 -4.99 118.68 120.31 1yho s LEU 27 Ca 0.82 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.73 1yho s LEU 27 Cb -0.38 -2.00 -0.11 0.00 0.50 0.00 0.00 46.19 44.20 1yho s LEU 27 CO 0.36 0.16 1.35 0.03 -1.32 0.00 0.00 176.35 176.93 1yho h ARG 28 N 6.78 0.77 -0.46 1.98 3.08 -1.98 -1.93 114.38 122.62 1yho h ARG 28 Ca -0.38 -0.59 -0.12 0.00 0.07 0.00 0.00 59.98 58.96 1yho h ARG 28 Cb 1.16 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1yho h ARG 28 CO 0.71 1.21 -0.19 -0.97 -1.07 0.00 0.00 179.97 179.66 1yho h ASN 29 N 0.54 0.92 -0.28 7.04 -1.24 -1.97 0.16 115.58 120.74 1yho h ASN 29 Ca -0.03 -0.33 -0.10 0.00 0.71 0.00 0.00 56.30 56.55 1yho h ASN 29 Cb 1.34 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 1yho h ASN 29 CO 0.15 1.08 -0.22 -0.08 -1.29 0.00 0.00 177.43 177.07 1yho h GLU 30 N 0.79 0.65 -0.21 6.67 4.81 -1.98 0.04 114.58 125.35 1yho h GLU 30 Ca 0.11 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1yho h GLU 30 Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1yho h GLU 30 CO 0.06 0.92 -0.23 0.74 -0.73 0.00 0.00 179.01 179.76 1yho h PHE 31 N 0.38 0.63 -0.63 0.92 -1.00 -1.29 -1.82 116.94 114.13 1yho h PHE 31 Ca 0.05 -0.20 -0.08 0.00 2.81 0.00 0.00 57.97 60.56 1yho h PHE 31 Cb 0.77 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 1yho h PHE 31 CO 0.07 0.88 0.09 -0.09 -1.61 0.00 0.00 178.31 177.65 1yho h ARG 32 N 0.20 1.05 -0.59 1.51 9.65 -0.71 -0.97 114.38 124.51 1yho h ARG 32 Ca 0.03 -0.28 -0.10 0.00 -1.10 0.00 0.00 59.98 58.53 1yho h ARG 32 Cb 0.79 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1yho h ARG 32 CO 0.06 0.97 -0.02 -0.92 2.80 0.00 0.00 179.97 182.86 1yho h TYR 33 N 0.98 1.16 -0.25 2.20 3.20 -0.96 -0.26 116.97 123.03 1yho h TYR 33 Ca 0.19 -0.21 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1yho h TYR 33 Cb 0.44 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1yho h TYR 33 CO 0.03 1.03 -0.38 0.35 -1.64 0.00 0.00 178.16 177.55 1yho h PHE 34 N 0.95 0.69 0.08 -3.82 3.04 -1.12 -0.40 116.94 116.36 1yho h PHE 34 Ca 0.17 -0.19 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1yho h PHE 34 Cb 0.58 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1yho h PHE 34 CO 0.04 0.88 -0.04 0.37 -2.02 0.00 0.00 178.31 177.54 1yho h GLN 35 N 0.48 -0.11 0.00 1.11 5.75 -0.99 -2.44 115.11 118.92 1yho h GLN 35 Ca 0.05 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1yho h GLN 35 Cb 0.88 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 1yho h GLN 35 CO 0.08 0.38 -0.24 0.07 -2.65 0.00 0.00 178.83 176.46 1yho h ARG 36 N -0.66 0.00 0.25 1.69 0.11 -1.08 -0.04 114.38 114.66 1yho h ARG 36 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1yho h ARG 36 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1yho h ARG 36 CO 0.02 0.24 -0.12 1.98 0.10 0.00 0.00 179.97 182.19 1yho h MET 37 N 0.00 -0.32 -0.20 0.08 4.05 -1.06 0.21 114.93 117.69 1yho h MET 37 Ca -0.00 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1yho h MET 37 Cb 0.43 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1yho h MET 37 CO 0.03 0.01 -0.31 1.79 0.23 0.00 0.00 176.91 178.66 1yho h THR 38 N -0.69 1.28 -0.32 -0.77 1.35 -1.33 -3.06 112.91 109.37 1yho h THR 38 Ca -0.03 -1.35 -0.10 0.00 -0.55 0.00 0.00 66.41 64.38 1yho h THR 38 Cb 0.48 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1yho h THR 38 CO 0.06 0.42 -0.18 0.74 -0.25 0.00 0.00 175.52 176.30 1yho h THR 39 N 0.34 1.29 -1.14 6.82 2.02 -0.99 -3.40 112.91 117.86 1yho h THR 39 Ca 0.04 -1.31 -0.34 0.00 0.77 0.00 0.00 66.41 65.58 1yho h THR 39 Cb 0.72 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1yho h THR 39 CO 0.06 0.42 0.92 -0.89 0.37 0.00 0.00 175.52 176.39 1yho s THR 40 N -4.56 3.35 -0.03 3.16 2.01 0.06 -4.95 115.64 114.68 1yho s THR 40 Ca -0.13 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 1yho s THR 40 Cb 0.09 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1yho s THR 40 CO 0.81 -0.80 0.29 -0.94 -0.69 0.00 0.00 174.62 173.30 1yho s SER 41 N 8.56 6.60 0.28 3.53 1.04 -1.26 -4.93 113.70 127.52 1yho s SER 41 Ca 0.73 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.94 1yho s SER 41 Cb -0.10 -2.15 0.40 0.00 0.10 0.00 0.00 66.02 64.27 1yho s SER 41 CO 0.08 0.33 1.65 -1.28 0.98 0.00 0.00 173.24 175.01 1yho h SER 42 N 4.59 0.16 -3.30 7.02 0.87 -1.97 -3.42 113.55 117.49 1yho h SER 42 Ca -0.52 -0.08 -0.58 0.00 -1.23 0.00 0.00 61.79 59.37 1yho h SER 42 Cb 1.22 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.04 1yho h SER 42 CO 0.61 0.65 -0.26 0.68 -0.53 0.00 0.00 176.83 177.98 1yho s VAL 43 N -3.90 5.26 0.07 2.23 -7.23 -1.26 -5.07 120.40 110.51 1yho s VAL 43 Ca -0.03 0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 60.65 1yho s VAL 43 Cb 0.13 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 1yho s VAL 43 CO 0.77 0.37 0.55 -1.61 -0.31 0.00 0.00 175.10 174.87 1yho s GLU 44 N 0.52 4.15 0.00 4.82 0.41 -1.26 -3.98 118.70 123.35 1yho s GLU 44 Ca 0.20 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.44 1yho s GLU 44 Cb -0.14 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1yho s GLU 44 CO 0.06 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.87 1yho n GLY 45 N 1.62 0.53 3.44 -1.39 0.00 -1.26 -5.05 105.19 103.08 1yho n GLY 45 Ca -0.10 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.88 1.58 -0.03 1.61 -0.14 -1.26 -5.12 119.74 115.51 1yho s LYS 46 Ca 0.00 -1.72 0.05 0.00 -1.36 0.00 0.00 55.97 52.94 1yho s LYS 46 Cb 0.00 -1.59 -0.03 0.00 -1.68 0.00 0.00 37.83 34.53 1yho s LYS 46 CO 0.00 0.29 -0.17 -0.65 -0.76 0.00 0.00 175.35 174.06 1yho s GLN 47 N -3.55 2.37 -0.10 1.68 -0.21 -1.22 -5.03 119.66 113.61 1yho s GLN 47 Ca 0.28 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.78 1yho s GLN 47 Cb -0.04 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 1yho s GLN 47 CO 0.13 0.60 0.21 -0.80 -2.12 0.00 0.00 175.29 173.31 1yho s ASN 48 N -0.81 6.49 -0.08 5.90 0.01 -1.26 -2.72 114.94 122.47 1yho s ASN 48 Ca 0.12 0.58 -0.00 0.00 -0.71 0.00 0.00 52.86 52.85 1yho s ASN 48 Cb -0.10 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 1yho s ASN 48 CO 0.01 0.36 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.69 1yho s LEU 49 N -0.90 3.30 0.05 0.60 2.96 -0.94 -2.09 118.68 121.66 1yho s LEU 49 Ca 0.17 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1yho s LEU 49 Cb -0.13 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1yho s LEU 49 CO 0.06 0.36 -0.20 0.54 -1.32 0.00 0.00 176.35 175.80 1yho s VAL 50 N -0.80 1.59 -0.20 1.68 0.11 0.07 -0.34 120.40 122.51 1yho s VAL 50 Ca 0.12 -1.23 -0.05 0.00 -2.93 0.00 0.00 61.98 57.89 1yho s VAL 50 Cb -0.11 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 1yho s VAL 50 CO 0.02 0.13 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.28 1yho s ILE 51 N -0.87 3.85 0.07 7.04 1.01 0.12 -1.12 121.20 131.29 1yho s ILE 51 Ca 0.06 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.46 1yho s ILE 51 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1yho s ILE 51 CO 0.02 0.42 -0.25 -0.04 0.00 0.00 0.00 174.94 175.09 1yho s MET 52 N 1.10 1.60 0.70 2.79 -1.94 0.14 -2.28 119.30 121.42 1yho s MET 52 Ca 0.02 -1.14 -0.06 0.00 -1.71 0.00 0.00 55.69 52.79 1yho s MET 52 Cb -0.14 -1.85 0.06 0.00 2.01 0.00 0.00 34.83 34.91 1yho s MET 52 CO 0.01 0.47 1.01 0.20 -0.01 0.00 0.00 175.02 176.70 1yho s GLY 53 N -1.46 1.69 0.13 -0.03 0.00 0.10 -2.02 107.32 105.73 1yho s GLY 53 Ca 0.11 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 1yho s GLY 53 CO 0.03 -0.55 1.67 1.70 0.00 0.00 0.00 173.10 175.96 1yho h LYS 54 N -0.60 0.60 -0.23 2.90 3.64 -1.90 -0.81 116.57 120.17 1yho h LYS 54 Ca -0.44 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1yho h LYS 54 Cb 1.31 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1yho h LYS 54 CO 0.59 0.57 0.07 0.87 -2.27 0.00 0.00 179.45 179.29 1yho h LYS 55 N 0.50 0.36 -0.49 1.90 1.57 -1.95 -1.65 116.57 116.81 1yho h LYS 55 Ca 0.13 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1yho h LYS 55 Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1yho h LYS 55 CO -0.01 0.45 0.32 1.15 -0.57 0.00 0.00 179.45 180.78 1yho h THR 56 N 0.21 1.11 0.40 -0.16 2.02 -1.90 -0.16 112.91 114.43 1yho h THR 56 Ca 0.07 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1yho h THR 56 Cb 0.23 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1yho h THR 56 CO -0.00 0.12 -0.21 -0.25 0.37 0.00 0.00 175.52 175.55 1yho h TRP 57 N 0.64 -0.54 0.00 3.16 2.91 -1.04 -1.07 115.95 120.02 1yho h TRP 57 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1yho h TRP 57 Cb -0.05 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 1yho h TRP 57 CO -0.05 -0.33 0.00 0.74 -1.03 0.00 0.00 178.44 177.77 1yho h PHE 58 N -0.57 0.00 0.00 2.65 0.04 -1.16 -1.68 116.94 116.23 1yho h PHE 58 Ca -0.05 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.49 1yho h PHE 58 Cb 0.44 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1yho h PHE 58 CO -0.06 0.00 -1.14 0.77 -0.60 0.00 0.00 178.31 177.28 1yho h SER 59 N 0.00 0.01 -3.35 2.17 0.02 -0.24 -3.45 113.55 108.71 1yho h SER 59 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1yho h SER 59 Cb 0.15 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.70 1yho h SER 59 CO 0.00 1.01 0.58 -0.63 -1.14 0.00 0.00 176.83 176.65 1yho s ILE 60 N -2.69 3.63 0.71 3.27 1.01 -0.48 -5.02 121.20 121.64 1yho s ILE 60 Ca -0.00 1.29 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 1yho s ILE 60 Cb 0.10 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1yho s ILE 60 CO 0.82 0.17 1.08 -2.16 0.00 0.00 0.00 174.94 174.85 1yho s PRO 61 N 0.26 2.67 0.42 2.79 0.04 -1.26 -4.95 135.00 134.96 1yho s PRO 61 Ca 0.56 1.12 0.20 0.00 0.04 0.00 0.00 61.00 62.91 1yho s PRO 61 Cb -0.33 -1.95 0.91 0.00 0.04 0.00 0.00 34.50 33.17 1yho s PRO 61 CO 0.34 -1.32 1.85 0.93 0.04 0.00 0.00 177.00 178.85 1yho h GLU 62 N -0.70 0.00 -0.43 4.56 5.08 -1.95 -2.83 114.58 118.31 1yho h GLU 62 Ca -0.44 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1yho h GLU 62 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1yho h GLU 62 CO 0.54 0.30 0.31 0.87 -1.00 0.00 0.00 179.01 180.03 1yho h LYS 63 N 0.00 0.08 -0.34 2.33 6.56 -2.01 -1.72 116.57 121.46 1yho h LYS 63 Ca -0.00 -0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.32 1yho h LYS 63 Cb 0.68 -0.02 -0.23 0.00 -0.57 0.00 0.00 32.23 32.09 1yho h LYS 63 CO 0.04 0.05 -0.70 0.09 -2.06 0.00 0.00 179.45 176.87 1yho n ASN 64 N -4.43 3.06 -3.90 0.86 3.02 -1.08 -5.02 115.26 107.77 1yho n ASN 64 Ca 0.07 -3.65 -0.14 0.00 -0.03 0.00 0.00 54.58 50.84 1yho n ASN 64 Cb 0.45 -0.43 -0.14 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.25 0.18 0.65 3.52 3.52 -0.65 -3.68 118.95 119.24 1yho s ARG 65 Ca 0.43 -0.07 -0.15 0.00 -0.13 0.00 0.00 55.73 55.81 1yho s ARG 65 Cb 0.39 -0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1yho s ARG 65 CO -0.03 0.04 1.11 -1.25 -0.81 0.00 0.00 175.30 174.36 1yho s PRO 66 N 0.00 2.86 -0.72 5.12 0.04 -1.26 -4.85 135.00 136.20 1yho s PRO 66 Ca 0.00 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1yho s PRO 66 Cb -0.01 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1yho s PRO 66 CO -0.00 -1.20 1.86 -1.17 0.04 0.00 0.00 177.00 176.53 1yho s LEU 67 N -4.79 3.25 0.79 -3.56 2.96 -1.24 -4.96 118.68 111.12 1yho s LEU 67 Ca 0.67 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 54.39 1yho s LEU 67 Cb -0.20 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.02 1yho s LEU 67 CO 0.40 -2.47 1.13 -0.75 -1.32 0.00 0.00 176.35 173.35 1yho s LYS 68 N 6.95 1.94 0.00 1.98 2.47 -1.26 -3.55 119.74 128.26 1yho s LYS 68 Ca 0.67 1.43 0.00 0.00 -1.56 0.00 0.00 55.97 56.50 1yho s LYS 68 Cb -0.10 -1.84 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1yho s LYS 68 CO 0.12 -1.92 0.00 0.41 0.16 0.00 0.00 175.35 174.12 1yho n GLY 69 N -0.39 3.06 3.00 5.54 0.00 -1.26 -5.00 105.19 110.14 1yho n GLY 69 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.35 -0.49 1.61 1.70 -1.23 -4.85 118.95 115.82 1yho s ARG 70 Ca 0.00 -0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 54.29 1yho s ARG 70 Cb 0.00 0.10 0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1yho s ARG 70 CO 0.00 -0.05 1.18 0.42 -1.08 0.00 0.00 175.30 175.77 1yho s ILE 71 N -1.70 4.14 -0.09 4.99 1.01 -0.89 -4.84 121.20 123.82 1yho s ILE 71 Ca -0.13 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.47 1yho s ILE 71 Cb -0.08 -4.58 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 1yho s ILE 71 CO -0.02 -1.04 0.49 0.20 0.00 0.00 0.00 174.94 174.57 1yho s ASN 72 N 2.72 6.74 -0.04 3.58 0.01 -1.26 -0.75 114.94 125.94 1yho s ASN 72 Ca 0.49 0.88 0.05 0.00 -0.71 0.00 0.00 52.86 53.56 1yho s ASN 72 Cb -0.08 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1yho s ASN 72 CO 0.31 0.04 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.53 1yho s LEU 73 N 0.38 1.97 -0.12 0.60 0.20 -0.27 -2.17 118.68 119.26 1yho s LEU 73 Ca 0.27 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.68 1yho s LEU 73 Cb -0.16 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.55 1yho s LEU 73 CO 0.12 0.19 0.01 -0.69 -0.29 0.00 0.00 176.35 175.68 1yho s VAL 74 N -0.13 4.35 -0.41 1.68 1.01 -0.91 0.25 120.40 126.24 1yho s VAL 74 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1yho s VAL 74 Cb -0.10 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1yho s VAL 74 CO 0.01 0.55 0.26 -0.76 0.00 0.00 0.00 175.10 175.17 1yho s LEU 75 N -0.33 5.05 -0.05 3.92 1.43 -0.86 -2.01 118.68 125.84 1yho s LEU 75 Ca 0.07 -1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1yho s LEU 75 Cb -0.12 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.09 1yho s LEU 75 CO 0.02 -0.49 0.10 -0.55 0.23 0.00 0.00 176.35 175.66 1yho s SER 76 N 1.94 0.41 -0.12 2.29 0.15 0.10 -4.15 113.70 114.31 1yho s SER 76 Ca 0.03 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.03 1yho s SER 76 Cb -0.21 0.07 -0.24 0.00 -1.71 0.00 0.00 66.02 63.93 1yho s SER 76 CO 0.05 -0.19 0.35 -1.14 1.20 0.00 0.00 173.24 173.52 1yho n ARG 77 N 4.70 0.66 0.10 5.44 0.63 -1.19 -3.64 116.66 123.36 1yho n ARG 77 Ca -0.17 0.12 -0.05 0.00 -0.92 0.00 0.00 57.85 56.84 1yho n ARG 77 Cb 0.50 -1.65 0.08 0.00 0.45 0.00 0.00 32.46 31.85 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 0.11 -6.74 -0.14 5.08 -1.95 -3.45 114.58 107.49 1yho h GLU 78 Ca -0.41 -0.10 -0.49 0.00 -1.00 0.00 0.00 59.36 57.36 1yho h GLU 78 Cb 2.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.35 1yho h GLU 78 CO 0.05 0.79 0.21 -1.17 -1.00 0.00 0.00 179.01 177.89 1yho s LEU 79 N -7.53 4.28 -0.17 1.33 2.96 -1.26 -4.99 118.68 113.30 1yho s LEU 79 Ca -0.02 1.58 0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1yho s LEU 79 Cb 0.11 -3.87 -0.22 0.00 0.50 0.00 0.00 46.19 42.71 1yho s LEU 79 CO 0.80 -0.06 0.17 1.17 -1.32 0.00 0.00 176.35 177.10 1yho n LYS 80 N 0.44 0.69 -4.27 1.98 3.00 -1.26 -4.94 118.16 113.80 1yho n LYS 80 Ca 0.01 0.18 -0.28 0.00 -0.00 0.00 0.00 58.31 58.21 1yho n LYS 80 Cb 0.51 -1.63 -0.10 0.00 0.00 0.00 0.00 35.03 33.82 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1yho s GLU 81 N -2.54 2.02 0.52 1.64 2.02 -1.26 -5.10 118.70 116.00 1yho s GLU 81 Ca -0.20 -1.16 -0.21 0.00 0.02 0.00 0.00 54.97 53.41 1yho s GLU 81 Cb 0.07 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 32.05 1yho s GLU 81 CO 0.74 0.47 1.20 -1.25 0.02 0.00 0.00 175.26 176.44 1yho s PRO 82 N -2.45 3.40 0.61 0.39 0.04 -1.26 -5.01 135.00 130.72 1yho s PRO 82 Ca 0.22 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 1yho s PRO 82 Cb -0.10 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1yho s PRO 82 CO 0.13 -0.87 1.08 -1.25 0.04 0.00 0.00 177.00 176.13 1yho s PRO 83 N -2.99 3.16 0.20 0.56 0.04 -1.26 -4.96 135.00 129.75 1yho s PRO 83 Ca 0.70 1.27 -0.32 0.00 0.04 0.00 0.00 61.00 62.69 1yho s PRO 83 Cb -0.30 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1yho s PRO 83 CO 0.35 -0.95 1.73 0.94 0.04 0.00 0.00 177.00 179.11 1yho n GLN 84 N -2.13 2.76 0.00 4.56 -0.06 -1.26 -1.81 117.38 119.44 1yho n GLN 84 Ca 0.09 0.99 0.00 0.00 -2.00 0.00 0.00 57.00 56.09 1yho n GLN 84 Cb 0.53 -2.84 0.00 0.00 -4.06 0.00 0.00 30.24 23.86 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1yho n GLY 85 N 3.97 3.15 3.82 1.69 0.00 -1.26 -4.94 105.19 111.62 1yho n GLY 85 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.91 3.13 0.01 4.61 0.00 -0.75 -4.63 121.76 121.23 1yho s ALA 86 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1yho s ALA 86 Cb 0.00 -3.06 -0.26 0.00 0.00 0.00 0.00 23.12 19.80 1yho s ALA 86 CO 0.00 0.19 0.87 0.45 0.00 0.00 0.00 175.76 177.26 1yho h HIS 87 N 2.16 0.32 -3.01 0.00 3.86 -1.75 -3.46 115.15 113.27 1yho h HIS 87 Ca -0.48 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 58.45 1yho h HIS 87 Cb 1.18 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.50 1yho h HIS 87 CO 0.62 1.28 0.05 -0.06 0.86 0.00 0.00 177.93 180.68 1yho s PHE 88 N -2.62 -0.39 -0.04 2.45 0.08 -1.26 -5.09 117.98 111.10 1yho s PHE 88 Ca -0.07 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.27 1yho s PHE 88 Cb 0.07 0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.91 1yho s PHE 88 CO 0.84 -0.71 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.97 1yho s LEU 89 N -2.41 1.69 -0.07 -0.37 2.96 -1.26 -2.15 118.68 117.07 1yho s LEU 89 Ca -0.01 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1yho s LEU 89 Cb 0.00 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1yho s LEU 89 CO -0.08 0.05 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.42 1yho s SER 90 N 0.44 4.02 0.20 3.68 0.01 -0.85 -4.93 113.70 116.26 1yho s SER 90 Ca -0.09 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 1yho s SER 90 Cb -0.12 -1.08 0.13 0.00 0.21 0.00 0.00 66.02 65.16 1yho s SER 90 CO 0.02 0.29 1.50 0.03 0.41 0.00 0.00 173.24 175.49 1yho h ARG 91 N 5.77 0.44 -4.19 12.44 3.08 -1.90 0.31 114.38 130.33 1yho h ARG 91 Ca -0.40 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.19 1yho h ARG 91 Cb 1.17 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1yho h ARG 91 CO 0.52 0.92 -0.43 -1.12 -1.07 0.00 0.00 179.97 178.79 1yho s SER 92 N -6.93 0.08 0.28 7.04 0.01 -1.26 -3.18 113.70 109.73 1yho s SER 92 Ca -0.06 -1.16 -0.04 0.00 1.31 0.00 0.00 55.95 56.01 1yho s SER 92 Cb 0.11 0.44 0.36 0.00 0.21 0.00 0.00 66.02 67.14 1yho s SER 92 CO 0.83 -0.93 1.93 0.25 0.41 0.00 0.00 173.24 175.73 1yho h LEU 93 N 2.52 1.01 -1.47 2.44 5.85 -2.00 -1.77 115.31 121.90 1yho h LEU 93 Ca -0.32 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1yho h LEU 93 Cb 1.24 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1yho h LEU 93 CO 0.48 0.77 0.21 -0.78 -0.34 0.00 0.00 178.44 178.77 1yho h ASP 94 N 1.18 0.50 -0.05 1.25 3.58 -1.98 0.11 116.42 121.01 1yho h ASP 94 Ca 0.31 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1yho h ASP 94 Cb -0.07 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 1yho h ASP 94 CO -0.06 0.42 -0.06 0.44 -2.88 0.00 0.00 179.24 177.10 1yho h ASP 95 N 0.57 0.13 -0.51 2.28 3.32 -1.75 -0.14 116.42 120.33 1yho h ASP 95 Ca 0.15 -0.51 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1yho h ASP 95 Cb 0.04 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1yho h ASP 95 CO -0.02 0.62 0.05 0.00 -1.72 0.00 0.00 179.24 178.17 1yho h ALA 96 N 0.52 1.04 -0.27 3.45 0.00 -1.15 -1.94 119.26 120.91 1yho h ALA 96 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1yho h ALA 96 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yho h ALA 96 CO 0.01 0.61 -0.53 -0.07 0.00 0.00 0.00 179.25 179.27 1yho h LEU 97 N 0.86 0.86 -1.06 0.00 3.38 -0.81 -2.15 115.31 116.38 1yho h LEU 97 Ca 0.17 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1yho h LEU 97 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1yho h LEU 97 CO 0.02 1.22 -0.03 0.50 0.09 0.00 0.00 178.44 180.24 1yho h LYS 98 N 0.60 0.64 -0.09 1.13 3.64 -0.80 0.11 116.57 121.79 1yho h LYS 98 Ca 0.02 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 1yho h LYS 98 Cb 1.11 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1yho h LYS 98 CO 0.11 0.68 -0.21 1.25 -2.27 0.00 0.00 179.45 179.01 1yho h LEU 99 N 0.60 0.34 -1.29 5.20 5.85 -1.28 0.31 115.31 125.04 1yho h LEU 99 Ca 0.12 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1yho h LEU 99 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1yho h LEU 99 CO 0.02 0.86 -0.29 0.71 -0.34 0.00 0.00 178.44 179.40 1yho h THR 100 N -0.17 0.84 0.00 1.05 1.35 -1.27 -2.81 112.91 111.89 1yho h THR 100 Ca -0.00 -1.15 -0.15 0.00 -0.55 0.00 0.00 66.41 64.56 1yho h THR 100 Cb 0.82 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1yho h THR 100 CO 0.05 0.28 -1.10 -0.08 -0.25 0.00 0.00 175.52 174.42 1yho h GLU 101 N 0.00 0.00 -7.14 4.72 4.22 -0.76 -3.34 114.58 112.29 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.91 1yho h GLU 101 Cb 0.68 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.05 1yho h GLU 101 CO 0.04 0.38 0.43 -0.65 -2.18 0.00 0.00 179.01 177.03 1yho s GLN 102 N -2.93 2.71 0.46 1.92 -1.52 0.09 -4.74 119.66 115.65 1yho s GLN 102 Ca -0.00 1.72 0.21 0.00 -1.95 0.00 0.00 55.36 55.34 1yho s GLN 102 Cb 0.08 -1.91 1.12 0.00 -0.22 0.00 0.00 33.01 32.09 1yho s GLN 102 CO 0.79 -1.39 1.96 -1.00 -0.25 0.00 0.00 175.29 175.40 1yho h PRO 103 N 0.39 0.00 -0.74 2.91 0.13 -1.90 0.60 132.00 133.41 1yho h PRO 103 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1yho h PRO 103 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1yho h PRO 103 CO 0.53 0.21 0.36 1.49 -0.23 0.00 0.00 178.00 180.37 1yho h GLU 104 N 0.00 1.04 0.00 0.86 4.81 -1.91 -2.59 114.58 116.79 1yho h GLU 104 Ca -0.00 -0.14 -0.34 0.00 -0.13 0.00 0.00 59.36 58.75 1yho h GLU 104 Cb 0.49 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1yho h GLU 104 CO 0.03 0.79 -2.27 -0.11 -0.73 0.00 0.00 179.01 176.72 1yho n LEU 105 N -4.33 0.42 0.24 1.64 7.94 -1.07 -4.35 117.00 117.48 1yho n LEU 105 Ca 0.07 -0.02 0.15 0.00 -1.11 0.00 0.00 56.01 55.10 1yho n LEU 105 Cb 0.13 0.27 0.83 0.00 0.53 0.00 0.00 43.42 45.18 1yho n LEU 105 CO 0.39 0.51 1.13 0.00 -1.11 0.00 0.00 177.39 178.31 1yho h ALA 106 N 0.78 1.76 -0.02 1.96 0.00 0.21 0.87 119.26 124.82 1yho h ALA 106 Ca -0.50 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1yho h ALA 106 Cb 2.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1yho h ALA 106 CO 0.01 -0.13 -0.60 -0.97 0.00 0.00 0.00 179.25 177.56 1yho h ASN 107 N 0.00 0.06 0.07 0.00 -1.24 -1.66 -3.24 115.58 109.57 1yho h ASN 107 Ca 0.04 -0.04 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 1yho h ASN 107 Cb 0.22 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.20 1yho h ASN 107 CO -0.00 0.65 -2.20 1.17 -1.29 0.00 0.00 177.43 175.76 1yho n LYS 108 N -3.84 0.68 -4.14 6.67 4.81 -0.16 -4.95 118.16 117.22 1yho n LYS 108 Ca -0.01 -0.03 -0.31 0.00 -0.87 0.00 0.00 58.31 57.08 1yho n LYS 108 Cb 0.60 -1.55 -0.08 0.00 0.02 0.00 0.00 35.03 34.02 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1yho s VAL 109 N -2.78 4.33 -0.00 3.15 1.01 0.28 -3.37 120.40 123.03 1yho s VAL 109 Ca -0.09 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1yho s VAL 109 Cb 0.08 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1yho s VAL 109 CO 0.85 0.23 -0.06 -0.67 0.00 0.00 0.00 175.10 175.45 1yho n ASP 110 N 0.87 0.67 -4.34 3.32 2.03 -1.10 -4.46 116.55 113.54 1yho n ASP 110 Ca -0.11 0.10 -0.22 0.00 0.52 0.00 0.00 54.79 55.07 1yho n ASP 110 Cb 0.52 -0.33 -0.11 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.63 1.29 -0.04 -0.67 -1.94 -1.26 -2.60 119.30 112.45 1yho s MET 111 Ca -0.05 -1.42 0.03 0.00 -1.71 0.00 0.00 55.69 52.55 1yho s MET 111 Cb 0.01 -1.37 -0.03 0.00 2.01 0.00 0.00 34.83 35.45 1yho s MET 111 CO 0.08 0.28 -0.13 0.08 -0.01 0.00 0.00 175.02 175.32 1yho s VAL 112 N -2.01 3.21 -0.10 -6.03 1.01 -0.81 -2.22 120.40 113.45 1yho s VAL 112 Ca 0.16 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1yho s VAL 112 Cb -0.06 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1yho s VAL 112 CO 0.07 0.55 -0.17 0.26 0.00 0.00 0.00 175.10 175.81 1yho s TRP 113 N -0.79 2.01 -0.17 5.22 0.52 0.54 -1.31 118.94 124.95 1yho s TRP 113 Ca 0.13 -0.88 -0.15 0.00 0.02 0.00 0.00 56.10 55.22 1yho s TRP 113 Cb -0.11 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 1yho s TRP 113 CO 0.02 -0.43 0.33 0.42 0.02 0.00 0.00 176.95 177.32 1yho s ILE 114 N 0.77 5.27 -0.15 2.03 1.09 0.20 -0.71 121.20 129.69 1yho s ILE 114 Ca -0.11 0.61 0.08 0.00 -1.10 0.00 0.00 60.65 60.13 1yho s ILE 114 Cb -0.16 -3.67 -0.15 0.00 -1.06 0.00 0.00 42.46 37.42 1yho s ILE 114 CO 0.02 0.34 -0.04 1.33 -0.10 0.00 0.00 174.94 176.49 1yho n VAL 115 N 3.87 0.98 0.00 2.92 0.24 -0.96 -2.17 118.33 123.21 1yho n VAL 115 Ca -0.11 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1yho n VAL 115 Cb 0.52 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1yho n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yho n GLY 116 N 2.35 -0.02 0.00 7.63 0.00 -1.24 -4.78 105.19 109.13 1yho n GLY 116 Ca -0.26 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.71 1.58 0.29 -0.02 0.00 -1.26 -0.72 105.19 104.34 1yho n GLY 117 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 0.70 -0.54 1.61 0.87 -1.99 -2.22 113.55 111.98 1yho h SER 118 Ca 0.00 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1yho h SER 118 Cb 0.00 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1yho h SER 118 CO 0.00 0.72 0.29 -1.28 -0.53 0.00 0.00 176.83 176.03 1yho h SER 119 N 0.71 0.43 0.02 6.23 0.87 -2.00 0.73 113.55 120.54 1yho h SER 119 Ca 0.15 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 1yho h SER 119 Cb 0.33 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1yho h SER 119 CO 0.00 0.29 -0.36 0.58 -0.53 0.00 0.00 176.83 176.82 1yho h VAL 120 N 0.56 1.29 -0.47 2.23 2.07 -1.79 -2.48 116.25 117.66 1yho h VAL 120 Ca 0.24 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1yho h VAL 120 Cb 0.12 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1yho h VAL 120 CO -0.15 0.46 -0.03 0.22 0.02 0.00 0.00 177.57 178.09 1yho h TYR 121 N 0.39 0.93 -0.20 1.57 3.20 -0.73 -2.09 116.97 120.04 1yho h TYR 121 Ca 0.04 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1yho h TYR 121 Cb 0.81 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1yho h TYR 121 CO 0.03 0.90 0.07 -0.22 -1.64 0.00 0.00 178.16 177.29 1yho h LYS 122 N 0.70 0.31 -0.95 1.82 3.64 -0.77 -0.70 116.57 120.62 1yho h LYS 122 Ca 0.13 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1yho h LYS 122 Cb 0.54 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1yho h LYS 122 CO 0.03 0.40 0.62 1.49 -2.27 0.00 0.00 179.45 179.73 1yho h GLU 123 N 0.16 1.19 0.00 1.90 4.57 -1.40 -1.40 114.58 119.60 1yho h GLU 123 Ca 0.07 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1yho h GLU 123 Cb 0.22 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1yho h GLU 123 CO -0.00 0.79 -0.33 0.00 -1.18 0.00 0.00 179.01 178.28 1yho h ALA 124 N 1.38 0.99 0.00 2.92 0.00 -1.19 -2.81 119.26 120.54 1yho h ALA 124 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yho h ALA 124 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1yho h ALA 124 CO -0.11 0.42 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 1yho n MET 125 N -3.48 0.05 -0.63 0.00 2.81 -0.28 -2.42 117.12 113.17 1yho n MET 125 Ca -0.00 0.29 0.03 0.00 -1.81 0.00 0.00 57.70 56.21 1yho n MET 125 Cb 0.50 -1.59 0.27 0.00 -0.71 0.00 0.00 33.22 31.68 1yho n MET 125 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1yho n ASN 126 N -1.67 4.17 -4.67 7.83 5.15 -1.06 -4.89 115.26 120.12 1yho n ASN 126 Ca 0.03 -2.66 -0.38 0.00 -0.60 0.00 0.00 54.58 50.97 1yho n ASN 126 Cb 0.19 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.72 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1yho s HIS 127 N -2.20 3.37 0.10 1.20 3.76 -1.01 -4.98 115.29 115.53 1yho s HIS 127 Ca 0.37 0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 55.73 1yho s HIS 127 Cb 0.28 -2.46 -0.16 0.00 1.11 0.00 0.00 32.58 31.35 1yho s HIS 127 CO 0.11 0.02 1.24 -1.00 -0.85 0.00 0.00 174.74 174.26 1yho h PRO 128 N 7.36 0.50 -7.06 8.40 0.13 -1.91 -3.47 132.00 135.95 1yho h PRO 128 Ca -0.37 -0.57 -0.45 0.00 -0.87 0.00 0.00 66.00 63.74 1yho h PRO 128 Cb 1.16 0.17 0.22 0.00 0.13 0.00 0.00 31.00 32.68 1yho h PRO 128 CO 0.71 1.20 -0.16 0.41 -0.23 0.00 0.00 178.00 179.93 1yho n GLY 129 N 1.07 -1.92 3.74 1.56 0.00 -1.26 -4.54 105.19 103.85 1yho n GLY 129 Ca -0.09 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1yho n GLY 129 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yho s HIS 130 N -2.40 2.85 -0.08 1.61 3.76 -1.26 -4.93 115.29 114.84 1yho s HIS 130 Ca 0.66 0.60 -0.09 0.00 -0.15 0.00 0.00 55.06 56.08 1yho s HIS 130 Cb -0.23 -4.08 0.02 0.00 1.11 0.00 0.00 32.58 29.40 1yho s HIS 130 CO 0.65 -3.85 0.24 -1.17 -0.85 0.00 0.00 174.74 169.76 1yho s LEU 131 N 0.31 1.10 -0.17 0.89 0.20 -1.26 -4.59 118.68 115.17 1yho s LEU 131 Ca 0.68 0.39 -0.08 0.00 0.69 0.00 0.00 54.13 55.81 1yho s LEU 131 Cb -0.48 0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 46.09 1yho s LEU 131 CO 0.40 -0.14 0.12 -0.54 -0.29 0.00 0.00 176.35 175.90 1yho s LYS 132 N -0.15 3.88 -0.18 1.98 1.02 -0.93 -1.72 119.74 123.65 1yho s LYS 132 Ca -0.03 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1yho s LYS 132 Cb -0.03 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1yho s LYS 132 CO 0.01 0.48 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.68 1yho s LEU 133 N -0.16 1.82 -0.28 3.17 0.20 0.13 0.31 118.68 123.88 1yho s LEU 133 Ca 0.10 -0.74 -0.07 0.00 0.69 0.00 0.00 54.13 54.10 1yho s LEU 133 Cb -0.11 -1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 44.63 1yho s LEU 133 CO 0.00 -0.18 0.08 -0.36 -0.29 0.00 0.00 176.35 175.61 1yho s PHE 134 N 1.56 3.12 -0.07 5.38 0.40 0.28 0.94 117.98 129.60 1yho s PHE 134 Ca -0.00 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1yho s PHE 134 Cb -0.16 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 1yho s PHE 134 CO -0.08 -0.48 -0.18 0.14 0.70 0.00 0.00 175.22 175.31 1yho s VAL 135 N 1.56 2.65 -0.18 -0.44 -7.23 -0.32 -1.26 120.40 115.17 1yho s VAL 135 Ca 0.04 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 1yho s VAL 135 Cb -0.16 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1yho s VAL 135 CO 0.03 0.56 0.00 -0.89 -0.31 0.00 0.00 175.10 174.50 1yho s THR 136 N -0.21 4.12 -0.25 5.32 2.01 -0.81 -0.09 115.64 125.73 1yho s THR 136 Ca -0.01 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1yho s THR 136 Cb -0.13 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1yho s THR 136 CO 0.03 0.46 0.15 -0.60 -0.69 0.00 0.00 174.62 173.97 1yho s ARG 137 N 0.62 3.94 -0.42 4.92 3.52 0.18 0.10 118.95 131.81 1yho s ARG 137 Ca -0.00 -0.34 -0.19 0.00 -0.13 0.00 0.00 55.73 55.07 1yho s ARG 137 Cb -0.14 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1yho s ARG 137 CO 0.02 -0.06 0.55 0.42 -0.81 0.00 0.00 175.30 175.42 1yho s ILE 138 N 1.37 4.95 -1.17 4.11 -1.09 0.08 -0.29 121.20 129.16 1yho s ILE 138 Ca 0.07 -0.04 -0.20 0.00 -2.23 0.00 0.00 60.65 58.24 1yho s ILE 138 Cb -0.15 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1yho s ILE 138 CO 0.07 -0.49 1.92 0.23 -1.23 0.00 0.00 174.94 175.43 1yho n MET 139 N 5.96 2.19 -3.42 2.79 2.81 0.12 -1.21 117.12 126.35 1yho n MET 139 Ca -0.04 -2.58 0.02 0.00 -1.81 0.00 0.00 57.70 53.30 1yho n MET 139 Cb 0.48 -3.43 -0.05 0.00 -0.71 0.00 0.00 33.22 29.50 1yho n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1yho s GLN 140 N 5.10 0.10 -0.05 0.03 0.74 -1.26 -4.24 119.66 120.08 1yho s GLN 140 Ca 0.59 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.92 1yho s GLN 140 Cb 0.06 0.08 -0.07 0.00 1.10 0.00 0.00 33.01 34.19 1yho s GLN 140 CO 0.09 -0.03 1.84 -0.51 -0.55 0.00 0.00 175.29 176.13 1yho s ASP 141 N 1.67 6.41 0.02 6.67 1.11 -1.26 -4.40 116.67 126.89 1yho s ASP 141 Ca -0.04 2.31 0.02 0.00 0.18 0.00 0.00 52.55 55.02 1yho s ASP 141 Cb -0.02 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 1yho s ASP 141 CO -0.14 -1.13 -0.06 -0.36 1.18 0.00 0.00 175.17 174.66 1yho s PHE 142 N 4.83 0.51 0.06 4.23 0.08 -1.26 -5.12 117.98 121.31 1yho s PHE 142 Ca 0.82 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1yho s PHE 142 Cb -0.36 -0.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1yho s PHE 142 CO 0.35 -0.08 1.06 -2.00 -0.10 0.00 0.00 175.22 174.46 1yho s GLU 143 N -1.10 4.55 0.08 0.44 2.12 -1.26 -4.91 118.70 118.62 1yho s GLU 143 Ca -0.07 1.57 0.02 0.00 0.36 0.00 0.00 54.97 56.85 1yho s GLU 143 Cb -0.07 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1yho s GLU 143 CO 0.00 -0.05 -0.08 -1.12 -0.54 0.00 0.00 175.26 173.47 1yho s SER 144 N 0.68 1.12 -0.20 -1.70 0.01 -1.26 -4.63 113.70 107.72 1yho s SER 144 Ca 0.53 -0.80 0.11 0.00 1.31 0.00 0.00 55.95 57.10 1yho s SER 144 Cb -0.25 0.05 -0.20 0.00 0.21 0.00 0.00 66.02 65.83 1yho s SER 144 CO 0.30 -0.32 -0.04 -0.67 0.41 0.00 0.00 173.24 172.92 1yho n ASP 145 N 0.63 1.05 -4.57 2.44 -0.08 -1.07 -4.91 116.55 110.04 1yho n ASP 145 Ca -0.17 -0.05 -0.34 0.00 -1.51 0.00 0.00 54.79 52.72 1yho n ASP 145 Cb 0.58 0.46 -0.11 0.00 2.34 0.00 0.00 41.12 44.39 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1yho s THR 146 N -2.46 4.01 -0.09 5.18 2.01 -1.06 -5.03 115.64 118.19 1yho s THR 146 Ca -0.18 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1yho s THR 146 Cb 0.07 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1yho s THR 146 CO 0.68 0.54 0.09 -0.36 -0.69 0.00 0.00 174.62 174.89 1yho s PHE 147 N -0.17 3.43 -0.25 4.92 0.08 -1.26 -2.86 117.98 121.86 1yho s PHE 147 Ca 0.04 0.38 -0.20 0.00 0.12 0.00 0.00 56.93 57.27 1yho s PHE 147 Cb -0.13 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1yho s PHE 147 CO 0.02 0.63 0.63 0.12 -0.10 0.00 0.00 175.22 176.53 1yho s PHE 148 N -1.02 3.29 0.60 0.36 5.36 -0.50 -4.96 117.98 121.09 1yho s PHE 148 Ca 0.16 0.83 -0.18 0.00 -0.96 0.00 0.00 56.93 56.78 1yho s PHE 148 Cb -0.12 -2.84 -0.06 0.00 -0.34 0.00 0.00 43.02 39.66 1yho s PHE 148 CO 0.06 -0.32 0.79 -2.30 -1.46 0.00 0.00 175.22 171.98 1yho n PRO 149 N 5.69 0.71 -2.55 10.12 -0.02 -1.26 -4.92 135.00 142.77 1yho n PRO 149 Ca -0.01 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 1yho n PRO 149 Cb 0.49 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 -2.54 4.42 0.34 -0.52 2.02 -1.26 -5.01 118.70 116.15 1yho s GLU 150 Ca 0.73 1.58 -0.27 0.00 0.02 0.00 0.00 54.97 57.03 1yho s GLU 150 Cb -0.42 -3.49 -0.09 0.00 0.10 0.00 0.00 34.13 30.22 1yho s GLU 150 CO 0.50 -0.30 1.09 0.42 0.02 0.00 0.00 175.26 176.98 1yho s ILE 151 N 1.72 3.54 -0.40 -1.63 -1.09 -1.26 -4.98 121.20 117.10 1yho s ILE 151 Ca 0.54 1.37 -0.29 0.00 -2.23 0.00 0.00 60.65 60.04 1yho s ILE 151 Cb -0.23 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1yho s ILE 151 CO 0.24 0.19 1.21 -1.81 -1.23 0.00 0.00 174.94 173.54 1yho s ASP 152 N -1.18 6.65 0.47 3.58 1.01 -1.26 -4.89 116.67 121.05 1yho s ASP 152 Ca 0.51 0.80 0.21 0.00 0.71 0.00 0.00 52.55 54.78 1yho s ASP 152 Cb -0.28 -2.54 1.15 0.00 1.01 0.00 0.00 42.92 42.25 1yho s ASP 152 CO 0.35 -1.17 1.98 -0.07 0.21 0.00 0.00 175.17 176.47 1yho h LEU 153 N 11.09 0.00 -1.33 1.23 3.38 -1.94 0.74 115.31 128.48 1yho h LEU 153 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1yho h LEU 153 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1yho h LEU 153 CO 1.08 0.20 -0.25 -0.33 0.09 0.00 0.00 178.44 179.23 1yho h GLU 154 N 0.00 0.12 0.00 1.13 5.08 -2.02 -3.22 114.58 115.68 1yho h GLU 154 Ca -0.00 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1yho h GLU 154 Cb 0.43 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1yho h GLU 154 CO 0.03 0.37 -2.19 1.63 -1.00 0.00 0.00 179.01 177.85 1yho n LYS 155 N -4.19 1.03 -3.90 2.33 4.01 -0.88 -4.98 118.16 111.58 1yho n LYS 155 Ca -0.01 0.03 -0.33 0.00 -0.51 0.00 0.00 58.31 57.48 1yho n LYS 155 Cb 0.34 -1.44 -0.05 0.00 -0.51 0.00 0.00 35.03 33.37 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1yho s TYR 156 N -2.42 3.55 -0.21 2.13 1.51 0.25 -1.82 117.35 120.34 1yho s TYR 156 Ca -0.14 0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.22 1yho s TYR 156 Cb 0.06 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1yho s TYR 156 CO 0.64 0.65 0.03 0.15 -1.11 0.00 0.00 175.55 175.91 1yho s LYS 157 N -1.91 3.67 -0.33 -0.62 1.02 0.11 -4.35 119.74 117.33 1yho s LYS 157 Ca 0.27 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1yho s LYS 157 Cb -0.13 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1yho s LYS 157 CO 0.18 -0.02 1.21 -1.17 -0.92 0.00 0.00 175.35 174.63 1yho s LEU 158 N 1.12 3.86 -0.60 3.17 0.20 -1.26 -1.85 118.68 123.31 1yho s LEU 158 Ca 0.03 1.05 -0.02 0.00 0.69 0.00 0.00 54.13 55.88 1yho s LEU 158 Cb -0.14 -3.54 0.15 0.00 -0.43 0.00 0.00 46.19 42.23 1yho s LEU 158 CO 0.02 -1.05 0.40 -0.76 -0.29 0.00 0.00 176.35 174.67 1yho s LEU 159 N 4.18 5.08 0.08 -0.68 1.02 0.26 -4.98 118.68 123.64 1yho s LEU 159 Ca 0.52 -2.85 -0.29 0.00 0.02 0.00 0.00 54.13 51.52 1yho s LEU 159 Cb -0.14 -1.82 -0.13 0.00 0.02 0.00 0.00 46.19 44.12 1yho s LEU 159 CO 0.22 -0.35 1.46 -0.65 0.02 0.00 0.00 176.35 177.05 1yho h PRO 160 N 6.97 -0.69 -5.13 1.29 0.11 -1.93 -1.87 132.00 130.75 1yho h PRO 160 Ca -0.03 0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.47 1yho h PRO 160 Cb 0.94 0.16 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1yho h PRO 160 CO 0.71 -0.46 -0.75 -1.83 -0.21 0.00 0.00 178.00 175.46 1yho s GLU 161 N -5.33 3.37 -0.02 1.05 -1.05 -1.26 -4.51 118.70 110.95 1yho s GLU 161 Ca -0.14 -0.66 0.06 0.00 -0.15 0.00 0.00 54.97 54.09 1yho s GLU 161 Cb 0.04 -2.84 -0.02 0.00 -0.44 0.00 0.00 34.13 30.88 1yho s GLU 161 CO 0.50 -0.03 -0.21 -0.47 0.95 0.00 0.00 175.26 176.00 1yho s TYR 162 N 1.01 1.93 0.31 4.83 6.14 -1.26 -5.07 117.35 125.23 1yho s TYR 162 Ca -0.01 -0.39 -0.29 0.00 0.64 0.00 0.00 57.07 57.03 1yho s TYR 162 Cb -0.15 -1.25 -0.10 0.00 0.42 0.00 0.00 41.96 40.88 1yho s TYR 162 CO -0.01 -0.05 1.39 -1.25 0.64 0.00 0.00 175.55 176.27 1yho s PRO 163 N -0.45 4.28 0.00 4.97 0.04 -1.26 -2.75 135.00 139.83 1yho s PRO 163 Ca 0.07 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1yho s PRO 163 Cb -0.09 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1yho s PRO 163 CO -0.00 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1yho n GLY 164 N 1.28 3.02 3.40 0.56 0.00 -1.26 -5.01 105.19 107.17 1yho n GLY 164 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1yho n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yho s VAL 165 N -2.43 2.76 0.26 1.61 0.11 -1.11 -5.09 120.40 116.51 1yho s VAL 165 Ca 0.00 -0.82 -0.31 0.00 -2.93 0.00 0.00 61.98 57.93 1yho s VAL 165 Cb 0.00 -2.08 -0.12 0.00 -1.53 0.00 0.00 36.38 32.66 1yho s VAL 165 CO 0.00 0.57 1.65 -0.76 -3.33 0.00 0.00 175.10 173.23 1yho s LEU 166 N -0.37 4.35 -0.10 2.54 1.43 -1.26 -4.47 118.68 120.80 1yho s LEU 166 Ca 0.03 2.92 0.11 0.00 -1.03 0.00 0.00 54.13 56.17 1yho s LEU 166 Cb -0.12 -3.62 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 1yho s LEU 166 CO 0.02 -0.94 0.08 -0.24 0.23 0.00 0.00 176.35 175.50 1yho n SER 167 N 2.91 2.04 -4.77 2.29 2.88 -1.26 -4.57 113.62 113.14 1yho n SER 167 Ca 0.11 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.25 1yho n SER 167 Cb 0.36 0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 64.76 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 -4.30 6.32 0.14 -3.46 1.01 -1.26 -4.49 116.67 110.62 1yho s ASP 168 Ca -0.06 2.82 -0.31 0.00 0.71 0.00 0.00 52.55 55.72 1yho s ASP 168 Cb 0.04 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 1yho s ASP 168 CO 0.50 -0.86 1.30 -0.69 0.21 0.00 0.00 175.17 175.63 1yho s VAL 169 N -1.19 3.45 0.40 -1.27 1.01 -1.26 -4.76 120.40 116.79 1yho s VAL 169 Ca 0.55 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.71 1yho s VAL 169 Cb -0.42 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1yho s VAL 169 CO 0.55 0.12 0.44 -1.10 0.00 0.00 0.00 175.10 175.12 1yho s GLN 170 N 0.54 2.72 -0.11 2.72 1.11 -0.79 -4.94 119.66 120.91 1yho s GLN 170 Ca 0.59 -1.35 -0.05 0.00 0.01 0.00 0.00 55.36 54.57 1yho s GLN 170 Cb -0.35 -2.57 0.05 0.00 -1.01 0.00 0.00 33.01 29.14 1yho s GLN 170 CO 0.33 -0.15 0.25 -2.00 0.01 0.00 0.00 175.29 173.73 1yho s GLU 171 N -4.19 0.17 -0.04 2.91 2.12 -1.26 -2.03 118.70 116.38 1yho s GLU 171 Ca 0.49 0.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.42 1yho s GLU 171 Cb -0.07 -0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.26 1yho s GLU 171 CO 0.30 -0.22 0.08 -1.21 -0.54 0.00 0.00 175.26 173.68 1yho s GLU 172 N 1.74 -0.00 -1.69 4.30 0.41 -0.31 -4.84 118.70 118.31 1yho s GLU 172 Ca -0.05 0.33 -0.01 0.00 -0.41 0.00 0.00 54.97 54.82 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 -0.22 0.16 1.63 -0.49 0.00 0.00 175.26 176.26 1yho n LYS 173 N 4.58 -2.55 -1.02 1.61 4.76 -1.26 -1.02 118.16 123.25 1yho n LYS 173 Ca -0.19 0.96 -0.01 0.00 -2.87 0.00 0.00 58.31 56.20 1yho n LYS 173 Cb 0.50 -5.68 -0.00 0.00 -1.84 0.00 0.00 35.03 28.01 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yho n GLY 174 N -1.14 0.47 3.17 0.72 0.00 -1.26 -5.02 105.19 102.13 1yho n GLY 174 Ca -0.21 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1yho n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yho s ILE 175 N -2.02 2.69 -0.12 -0.61 1.01 -0.19 -5.10 121.20 116.87 1yho s ILE 175 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 1yho s ILE 175 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1yho s ILE 175 CO 0.00 0.19 0.14 -0.75 0.00 0.00 0.00 174.94 174.52 1yho s LYS 176 N 1.29 3.46 0.01 2.79 2.20 -1.26 -1.16 119.74 127.07 1yho s LYS 176 Ca -0.01 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.27 1yho s LYS 176 Cb -0.17 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1yho s LYS 176 CO -0.05 0.76 0.44 1.52 -0.36 0.00 0.00 175.35 177.66 1yho s TYR 177 N -0.98 -0.32 0.10 4.03 1.13 -0.86 0.11 117.35 120.56 1yho s TYR 177 Ca 0.15 0.41 0.09 0.00 -1.41 0.00 0.00 57.07 56.31 1yho s TYR 177 Cb -0.12 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1yho s TYR 177 CO 0.04 -0.53 -0.23 0.21 -2.51 0.00 0.00 175.55 172.53 1yho s LYS 178 N -1.94 1.24 -0.20 -3.49 2.20 0.60 -1.89 119.74 116.26 1yho s LYS 178 Ca -0.09 -1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 54.20 1yho s LYS 178 Cb -0.02 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 1yho s LYS 178 CO 0.02 0.37 0.28 -0.06 -0.36 0.00 0.00 175.35 175.60 1yho s PHE 179 N -1.09 3.38 0.01 4.03 0.40 -1.26 -0.64 117.98 122.81 1yho s PHE 179 Ca 0.09 0.47 0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1yho s PHE 179 Cb -0.10 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1yho s PHE 179 CO 0.04 0.10 -0.16 -1.21 0.70 0.00 0.00 175.22 174.69 1yho s GLU 180 N 0.94 2.23 -0.10 0.44 2.02 0.87 -4.82 118.70 120.26 1yho s GLU 180 Ca 0.14 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.26 1yho s GLU 180 Cb -0.14 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 1yho s GLU 180 CO 0.05 0.57 -0.14 0.08 0.02 0.00 0.00 175.26 175.84 1yho s VAL 181 N -0.88 3.03 -0.06 2.63 1.01 -0.70 -1.18 120.40 124.25 1yho s VAL 181 Ca 0.14 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1yho s VAL 181 Cb -0.11 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1yho s VAL 181 CO 0.04 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 1yho s TYR 182 N -0.02 1.45 0.02 5.22 1.51 0.27 0.91 117.35 126.71 1yho s TYR 182 Ca -0.04 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1yho s TYR 182 Cb -0.14 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1yho s TYR 182 CO 0.04 -0.25 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.10 1yho s GLU 183 N 0.55 2.30 -0.24 -0.62 2.12 -0.77 0.22 118.70 122.25 1yho s GLU 183 Ca -0.12 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.24 1yho s GLU 183 Cb -0.15 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1yho s GLU 183 CO 0.03 0.57 0.15 0.21 -0.54 0.00 0.00 175.26 175.68 1yho s LYS 184 N -1.44 4.01 -0.03 4.30 2.20 -0.70 0.10 119.74 128.19 1yho s LYS 184 Ca 0.16 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1yho s LYS 184 Cb -0.11 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1yho s LYS 184 CO 0.06 0.02 0.02 1.21 -0.36 0.00 0.00 175.35 176.31 1yho s ASN 185 N 1.16 5.31 0.00 1.43 3.84 -0.76 -4.12 114.94 121.80 1yho s ASN 185 Ca 0.07 0.08 0.04 0.00 0.21 0.00 0.00 52.86 53.25 1yho s ASN 185 Cb -0.14 -1.46 0.22 0.00 -0.55 0.00 0.00 41.25 39.33 1yho s ASN 185 CO 0.05 0.31 0.70 -0.67 -2.79 0.00 0.00 177.10 174.70