#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boz n GLY 2 N 0.00 0.65 3.77 2.92 0.00 0.41 -5.03 105.19 107.91 1boz n GLY 2 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1boz n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1boz s SER 3 N -1.05 6.38 -0.25 1.61 0.01 -1.26 -4.82 113.70 114.32 1boz s SER 3 Ca 0.00 2.83 -0.08 0.00 1.31 0.00 0.00 55.95 60.01 1boz s SER 3 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 1boz s SER 3 CO 0.00 -0.82 0.09 -0.22 0.41 0.00 0.00 173.24 172.70 1boz s LEU 4 N -2.20 3.60 0.06 2.44 2.96 -1.26 -0.32 118.68 123.96 1boz s LEU 4 Ca 0.54 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1boz s LEU 4 Cb -0.42 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1boz s LEU 4 CO 0.56 -0.01 -0.09 0.20 -1.32 0.00 0.00 176.35 175.69 1boz s ASN 5 N 1.51 1.03 -0.00 3.68 0.01 0.12 -3.04 114.94 118.24 1boz s ASN 5 Ca 0.06 -0.63 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 1boz s ASN 5 Cb -0.15 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.52 1boz s ASN 5 CO 0.05 -0.23 -0.21 0.00 -1.51 0.00 0.00 177.10 175.20 1boz s ILE 7 N -0.75 0.47 -0.07 0.00 2.07 -0.93 -0.85 121.20 121.14 1boz s ILE 7 Ca 0.12 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 58.91 1boz s ILE 7 Cb -0.10 -0.46 0.06 0.00 0.13 0.00 0.00 42.46 42.09 1boz s ILE 7 CO 0.01 0.17 0.64 0.54 -1.91 0.00 0.00 174.94 174.39 1boz s VAL 8 N 0.43 0.01 -0.14 4.00 0.11 -0.57 -4.52 120.40 119.71 1boz s VAL 8 Ca -0.05 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1boz s VAL 8 Cb -0.09 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1boz s VAL 8 CO -0.00 -0.03 -0.10 0.00 -3.33 0.00 0.00 175.10 171.64 1boz s ALA 9 N -1.03 2.73 0.03 1.54 0.00 -1.26 -1.67 121.76 122.10 1boz s ALA 9 Ca -0.10 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1boz s ALA 9 Cb -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1boz s ALA 9 CO 0.08 0.18 -0.09 0.14 0.00 0.00 0.00 175.76 176.07 1boz s VAL 10 N 0.45 0.71 0.72 0.00 -7.23 -0.61 -4.70 120.40 109.75 1boz s VAL 10 Ca -0.08 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 1boz s VAL 10 Cb -0.15 -0.69 0.08 0.00 0.56 0.00 0.00 36.38 36.18 1boz s VAL 10 CO 0.04 -0.15 1.03 -0.94 -0.31 0.00 0.00 175.10 174.77 1boz s SER 11 N -1.13 4.59 0.57 4.85 1.04 -0.50 -0.69 113.70 122.42 1boz s SER 11 Ca -0.04 0.29 0.32 0.00 0.48 0.00 0.00 55.95 57.00 1boz s SER 11 Cb -0.08 -0.85 1.69 0.00 0.10 0.00 0.00 66.02 66.88 1boz s SER 11 CO 0.01 -1.73 2.15 -0.61 0.98 0.00 0.00 173.24 174.03 1boz h GLN 12 N -0.66 0.00 -0.46 4.02 4.15 -0.43 0.12 115.11 121.85 1boz h GLN 12 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1boz h GLN 12 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1boz h GLN 12 CO 0.54 0.06 0.00 0.27 -1.93 0.00 0.00 178.83 177.78 1boz n ASN 13 N -3.48 2.44 -0.86 -0.69 6.94 -1.26 -4.88 115.26 113.47 1boz n ASN 13 Ca -0.02 -2.03 -0.09 0.00 -0.02 0.00 0.00 54.58 52.42 1boz n ASN 13 Cb 0.19 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 1boz n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1boz n MET 14 N 0.78 -0.69 -2.88 -3.83 2.81 0.40 -4.98 117.12 108.73 1boz n MET 14 Ca 0.15 0.67 -0.39 0.00 -1.81 0.00 0.00 57.70 56.32 1boz n MET 14 Cb 0.39 -4.62 -0.06 0.00 -0.71 0.00 0.00 33.22 28.22 1boz n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1boz s GLY 15 N -2.77 2.98 0.00 3.03 0.00 -1.25 -1.19 107.32 108.12 1boz s GLY 15 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1boz s GLY 15 CO 0.00 0.99 0.00 0.29 0.00 0.00 0.00 173.10 174.38 1boz n ILE 16 N 1.44 0.00 -3.80 0.90 -5.35 0.60 -1.41 119.36 111.73 1boz n ILE 16 Ca -0.03 -0.09 -0.05 0.00 -0.27 0.00 0.00 62.75 62.31 1boz n ILE 16 Cb 0.48 0.56 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 1boz n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1boz s GLY 17 N -1.63 -0.16 -0.22 3.28 0.00 -0.99 -4.45 107.32 103.15 1boz s GLY 17 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 1boz s GLY 17 CO 0.00 -0.03 0.52 1.25 0.00 0.00 0.00 173.10 174.84 1boz s LYS 18 N -3.55 0.49 -1.30 2.90 2.20 0.29 -0.74 119.74 120.03 1boz s LYS 18 Ca 0.12 1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.74 1boz s LYS 18 Cb -0.03 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1boz s LYS 18 CO 0.05 -0.18 0.03 0.09 -0.36 0.00 0.00 175.35 174.98 1boz n ASN 19 N 4.59 0.59 -1.52 1.43 3.02 -1.26 0.62 115.26 122.74 1boz n ASN 19 Ca -0.19 -1.08 -0.17 0.00 -0.03 0.00 0.00 54.58 53.10 1boz n ASN 19 Cb 0.55 -1.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.32 1boz n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1boz n GLY 20 N -2.32 1.15 3.42 7.41 0.00 -1.26 -5.00 105.19 108.59 1boz n GLY 20 Ca -0.27 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1boz n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1boz s ASP 21 N -2.65 2.10 0.42 1.61 2.15 0.20 -4.63 116.67 115.87 1boz s ASP 21 Ca 0.00 -1.45 -0.23 0.00 0.43 0.00 0.00 52.55 51.30 1boz s ASP 21 Cb 0.00 0.13 -0.09 0.00 -0.30 0.00 0.00 42.92 42.66 1boz s ASP 21 CO 0.00 -0.73 1.02 -0.76 -0.17 0.00 0.00 175.17 174.54 1boz s LEU 22 N -3.46 4.07 0.12 -1.34 1.43 -1.26 -0.55 118.68 117.69 1boz s LEU 22 Ca 0.34 1.95 0.19 0.00 -1.03 0.00 0.00 54.13 55.58 1boz s LEU 22 Cb 0.07 -4.30 0.80 0.00 0.03 0.00 0.00 46.19 42.79 1boz s LEU 22 CO 0.15 -0.50 1.59 -2.65 0.23 0.00 0.00 176.35 175.17 1boz n PRO 23 N -0.29 0.10 -4.47 1.29 -0.02 -1.26 -4.66 135.00 125.68 1boz n PRO 23 Ca 0.06 0.33 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 1boz n PRO 23 Cb 0.51 -1.68 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 1boz n PRO 23 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1boz s TRP 24 N -3.15 2.48 0.77 6.00 -2.14 -1.26 -4.74 118.94 116.90 1boz s TRP 24 Ca 0.06 -0.52 -0.13 0.00 2.66 0.00 0.00 56.10 58.17 1boz s TRP 24 Cb 0.10 -1.53 0.06 0.00 -3.10 0.00 0.00 33.47 29.00 1boz s TRP 24 CO 0.33 0.50 1.14 -1.25 -2.66 0.00 0.00 176.95 175.02 1boz s PRO 25 N -3.68 2.00 0.29 3.25 0.04 -1.26 -4.90 135.00 130.74 1boz s PRO 25 Ca 0.34 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1boz s PRO 25 Cb 0.03 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 1boz s PRO 25 CO 0.18 -1.88 1.47 -2.30 0.04 0.00 0.00 177.00 174.50 1boz n PRO 26 N -3.25 2.37 -4.02 0.56 -0.02 -1.26 -5.00 135.00 124.39 1boz n PRO 26 Ca 0.11 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 62.12 1boz n PRO 26 Cb 0.52 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1boz n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1boz s LEU 27 N -0.56 4.57 0.28 2.45 1.43 -1.26 -4.99 118.68 120.60 1boz s LEU 27 Ca 0.63 -2.06 0.01 0.00 -1.03 0.00 0.00 54.13 51.68 1boz s LEU 27 Cb -0.56 -1.61 0.61 0.00 0.03 0.00 0.00 46.19 44.67 1boz s LEU 27 CO 0.53 -0.36 1.75 0.03 0.23 0.00 0.00 176.35 178.53 1boz h ARG 28 N 7.64 0.58 0.00 1.70 -0.00 -1.98 -1.45 114.38 120.86 1boz h ARG 28 Ca -0.06 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.30 1boz h ARG 28 Cb 1.02 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.85 1boz h ARG 28 CO 0.51 0.38 -0.89 -0.91 0.00 0.00 0.00 179.97 179.07 1boz h ASN 29 N 0.60 0.00 -0.35 7.04 2.35 -1.99 -2.50 115.58 120.73 1boz h ASN 29 Ca 0.50 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.12 1boz h ASN 29 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1boz h ASN 29 CO -0.40 0.35 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.36 1boz h GLU 30 N 0.00 0.80 -0.68 0.81 4.22 -1.87 -1.89 114.58 115.97 1boz h GLU 30 Ca -0.06 -0.40 -0.04 0.00 0.08 0.00 0.00 59.36 58.93 1boz h GLU 30 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1boz h GLU 30 CO 0.04 1.04 0.25 0.78 -2.18 0.00 0.00 179.01 178.93 1boz h GLY 31 N 0.59 1.10 1.09 1.92 0.00 -1.32 -0.15 103.07 106.30 1boz h GLY 31 Ca 0.06 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1boz h GLY 31 CO 0.07 0.58 0.25 3.21 0.00 0.00 0.00 176.54 180.65 1boz h ARG 32 N 0.97 1.15 0.57 4.80 3.08 -1.37 -0.41 114.38 123.17 1boz h ARG 32 Ca 0.22 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1boz h ARG 32 Cb 0.24 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1boz h ARG 32 CO -0.01 0.96 -0.27 -0.92 -1.07 0.00 0.00 179.97 178.65 1boz h TYR 33 N 1.10 -0.71 -0.53 3.04 3.20 -0.92 0.53 116.97 122.68 1boz h TYR 33 Ca 0.24 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1boz h TYR 33 Cb 0.29 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 1boz h TYR 33 CO 0.02 -0.42 -0.05 0.35 -1.64 0.00 0.00 178.16 176.43 1boz h PHE 34 N -0.81 -0.12 -0.51 -3.82 3.57 -0.84 0.67 116.94 115.08 1boz h PHE 34 Ca -0.08 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1boz h PHE 34 Cb 0.61 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1boz h PHE 34 CO -0.03 -0.16 0.15 1.96 -2.23 0.00 0.00 178.31 178.00 1boz h GLN 35 N 0.07 0.80 0.09 1.11 1.08 -0.81 -2.58 115.11 114.87 1boz h GLN 35 Ca 0.26 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1boz h GLN 35 Cb 0.41 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1boz h GLN 35 CO -0.48 0.75 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.01 1boz h ARG 36 N 0.70 -0.12 -0.05 1.46 2.43 0.12 -0.92 114.38 117.99 1boz h ARG 36 Ca 0.16 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1boz h ARG 36 Cb 0.29 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1boz h ARG 36 CO -0.00 -0.08 0.02 0.52 -1.51 0.00 0.00 179.97 178.92 1boz h MET 37 N -0.13 0.08 0.00 0.20 2.86 -0.92 -1.90 114.93 115.11 1boz h MET 37 Ca -0.01 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1boz h MET 37 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1boz h MET 37 CO 0.01 0.17 -0.42 1.79 1.06 0.00 0.00 176.91 179.53 1boz h THR 38 N -0.04 0.91 0.03 2.22 1.35 -1.51 -3.29 112.91 112.58 1boz h THR 38 Ca 0.02 -1.69 -0.27 0.00 -0.55 0.00 0.00 66.41 63.91 1boz h THR 38 Cb 0.12 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1boz h THR 38 CO -0.00 0.41 -1.46 0.74 -0.25 0.00 0.00 175.52 174.95 1boz h THR 39 N 0.00 1.17 -2.95 6.82 2.02 -1.06 -3.43 112.91 115.48 1boz h THR 39 Ca -0.00 -2.93 -0.55 0.00 0.77 0.00 0.00 66.41 63.70 1boz h THR 39 Cb 1.00 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.03 1boz h THR 39 CO 0.05 0.73 0.82 -0.89 0.37 0.00 0.00 175.52 176.60 1boz s THR 40 N -2.63 4.02 -0.14 3.16 2.01 -0.72 -4.67 115.64 116.66 1boz s THR 40 Ca -0.05 1.34 -0.06 0.00 0.31 0.00 0.00 61.69 63.23 1boz s THR 40 Cb 0.08 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1boz s THR 40 CO 0.83 -0.03 0.08 -0.55 -0.69 0.00 0.00 174.62 174.26 1boz s SER 41 N 1.86 5.88 -0.09 3.53 0.15 -1.26 -4.93 113.70 118.84 1boz s SER 41 Ca 0.60 0.26 0.08 0.00 0.70 0.00 0.00 55.95 57.59 1boz s SER 41 Cb -0.27 -1.89 0.39 0.00 -1.71 0.00 0.00 66.02 62.53 1boz s SER 41 CO 0.23 0.32 1.16 -1.54 1.20 0.00 0.00 173.24 174.60 1boz n SER 42 N 2.59 3.03 -3.72 5.45 3.41 -1.26 -4.82 113.62 118.30 1boz n SER 42 Ca -0.18 -2.35 -0.12 0.00 -0.26 0.00 0.00 58.87 55.96 1boz n SER 42 Cb 0.54 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1boz n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1boz s VAL 43 N -1.79 -0.03 0.15 -3.33 1.01 -1.26 -5.15 120.40 110.00 1boz s VAL 43 Ca 0.27 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1boz s VAL 43 Cb 0.19 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1boz s VAL 43 CO 0.10 0.04 1.21 -1.61 0.00 0.00 0.00 175.10 174.84 1boz s GLU 44 N 1.13 4.47 0.00 2.72 2.02 -1.26 -2.80 118.70 124.98 1boz s GLU 44 Ca -0.08 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1boz s GLU 44 Cb -0.08 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1boz s GLU 44 CO -0.09 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1boz n GLY 45 N 2.48 0.47 3.43 -1.39 0.00 -1.26 -5.04 105.19 103.89 1boz n GLY 45 Ca 0.06 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1boz n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boz s LYS 46 N -1.17 1.55 0.10 1.61 1.02 -1.12 -4.80 119.74 116.94 1boz s LYS 46 Ca 0.00 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.62 1boz s LYS 46 Cb 0.00 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1boz s LYS 46 CO 0.00 0.43 -0.11 -0.65 -0.92 0.00 0.00 175.35 174.09 1boz s GLN 47 N -2.44 0.90 0.35 1.68 -0.21 -0.65 -4.79 119.66 114.50 1boz s GLN 47 Ca 0.19 -1.17 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 1boz s GLN 47 Cb -0.09 -0.65 -0.06 0.00 1.00 0.00 0.00 33.01 33.20 1boz s GLN 47 CO 0.09 0.11 0.68 -0.80 -2.12 0.00 0.00 175.29 173.25 1boz s ASN 48 N -2.41 6.53 -0.11 5.90 0.01 -1.26 -1.33 114.94 122.27 1boz s ASN 48 Ca 0.06 1.00 -0.03 0.00 -0.71 0.00 0.00 52.86 53.18 1boz s ASN 48 Cb -0.04 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1boz s ASN 48 CO 0.01 -0.29 0.01 -0.22 -1.51 0.00 0.00 177.10 175.10 1boz s LEU 49 N -3.57 3.61 -0.16 0.60 2.96 0.37 -1.53 118.68 120.94 1boz s LEU 49 Ca 0.49 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1boz s LEU 49 Cb -0.10 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1boz s LEU 49 CO 0.28 0.33 -0.11 0.68 -1.32 0.00 0.00 176.35 176.21 1boz s VAL 50 N -0.58 3.02 -0.16 1.68 -7.23 0.75 -1.53 120.40 116.34 1boz s VAL 50 Ca 0.10 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1boz s VAL 50 Cb -0.12 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1boz s VAL 50 CO 0.02 0.49 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.66 1boz s ILE 51 N 0.83 4.07 0.06 -0.62 1.01 0.04 -0.96 121.20 125.62 1boz s ILE 51 Ca -0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1boz s ILE 51 Cb -0.15 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1boz s ILE 51 CO 0.01 0.49 0.25 0.00 0.00 0.00 0.00 174.94 175.69 1boz s MET 52 N 0.37 0.80 0.85 2.79 0.23 -0.29 -1.37 119.30 122.67 1boz s MET 52 Ca -0.03 -0.64 -0.12 0.00 -1.03 0.00 0.00 55.69 53.87 1boz s MET 52 Cb -0.14 0.34 0.10 0.00 -1.53 0.00 0.00 34.83 33.60 1boz s MET 52 CO 0.02 -0.25 1.12 0.20 -2.03 0.00 0.00 175.02 174.08 1boz s GLY 53 N -2.27 1.60 0.15 3.16 0.00 0.07 -0.98 107.32 109.05 1boz s GLY 53 Ca -0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.14 1boz s GLY 53 CO -0.06 0.10 1.76 1.70 0.00 0.00 0.00 173.10 176.61 1boz h LYS 54 N -1.26 0.31 -0.32 2.90 3.64 -1.82 -2.14 116.57 117.88 1boz h LYS 54 Ca -0.48 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1boz h LYS 54 Cb 1.30 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1boz h LYS 54 CO 0.61 0.21 0.01 -0.22 -2.27 0.00 0.00 179.45 177.79 1boz h LYS 55 N 0.32 0.49 -0.45 1.90 3.64 -1.93 -2.52 116.57 118.01 1boz h LYS 55 Ca 0.16 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1boz h LYS 55 Cb 0.10 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1boz h LYS 55 CO -0.13 0.50 -0.04 1.15 -2.27 0.00 0.00 179.45 178.66 1boz h THR 56 N 0.47 1.27 -0.27 1.00 2.02 -1.80 -1.64 112.91 113.96 1boz h THR 56 Ca 0.10 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.21 1boz h THR 56 Cb 0.29 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1boz h THR 56 CO 0.01 0.38 -0.01 -0.25 0.37 0.00 0.00 175.52 176.02 1boz h TRP 57 N 0.66 -0.04 0.00 3.16 2.91 -1.12 -2.55 115.95 118.98 1boz h TRP 57 Ca 0.12 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 1boz h TRP 57 Cb 0.56 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1boz h TRP 57 CO 0.04 -0.06 -0.10 0.74 -1.03 0.00 0.00 178.44 178.04 1boz h PHE 58 N 0.06 0.00 0.00 2.65 0.04 -1.32 -2.96 116.94 115.41 1boz h PHE 58 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1boz h PHE 58 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1boz h PHE 58 CO -0.22 0.10 0.00 -1.13 -0.60 0.00 0.00 178.31 176.46 1boz n SER 59 N -3.28 0.00 -4.77 2.17 3.41 -0.63 -4.76 113.62 105.75 1boz n SER 59 Ca -0.00 0.26 -0.38 0.00 -0.26 0.00 0.00 58.87 58.49 1boz n SER 59 Cb 0.32 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1boz n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1boz s ILE 60 N -2.84 5.01 0.24 -1.33 1.01 -1.12 -4.94 121.20 117.23 1boz s ILE 60 Ca 0.19 1.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 1boz s ILE 60 Cb 0.19 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 1boz s ILE 60 CO 0.48 0.45 1.51 -2.65 0.00 0.00 0.00 174.94 174.73 1boz n PRO 61 N 2.67 2.31 -0.20 2.79 -0.02 -1.26 -4.87 135.00 136.42 1boz n PRO 61 Ca -0.09 0.82 0.25 0.00 -2.02 0.00 0.00 63.50 62.46 1boz n PRO 61 Cb 0.51 -2.55 0.65 0.00 -0.02 0.00 0.00 33.50 32.09 1boz n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1boz h GLU 62 N 4.80 0.14 0.00 -0.52 4.81 -1.94 0.12 114.58 122.00 1boz h GLU 62 Ca -0.45 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1boz h GLU 62 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1boz h GLU 62 CO 0.80 0.09 -0.22 1.57 -0.73 0.00 0.00 179.01 180.53 1boz h LYS 63 N 0.15 0.00 -0.63 1.92 2.10 -2.00 -2.83 116.57 115.28 1boz h LYS 63 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1boz h LYS 63 Cb 1.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1boz h LYS 63 CO -0.08 0.22 0.00 0.09 -2.00 0.00 0.00 179.45 177.68 1boz n ASN 64 N -3.35 3.86 -4.18 7.07 3.02 0.42 -4.90 115.26 117.20 1boz n ASN 64 Ca 0.00 -2.35 -0.33 0.00 -0.03 0.00 0.00 54.58 51.87 1boz n ASN 64 Cb 0.44 -0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 38.94 1boz n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1boz s ARG 65 N -1.79 3.05 0.82 3.52 0.52 -1.07 -3.48 118.95 120.52 1boz s ARG 65 Ca 0.40 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.66 1boz s ARG 65 Cb 0.26 -2.48 0.08 0.00 0.52 0.00 0.00 34.95 33.33 1boz s ARG 65 CO 0.19 -0.02 1.11 -1.25 0.02 0.00 0.00 175.30 175.35 1boz s PRO 66 N 0.85 1.93 0.02 3.54 0.04 -1.26 -4.90 135.00 135.22 1boz s PRO 66 Ca -0.06 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1boz s PRO 66 Cb -0.15 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1boz s PRO 66 CO -0.02 -1.70 1.90 -0.51 0.04 0.00 0.00 177.00 176.71 1boz s LEU 67 N -5.80 4.40 0.33 -3.56 1.43 -1.23 -4.91 118.68 109.35 1boz s LEU 67 Ca 0.61 2.57 -0.28 0.00 -1.03 0.00 0.00 54.13 56.01 1boz s LEU 67 Cb -0.14 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1boz s LEU 67 CO 0.54 -1.03 1.18 -1.59 0.23 0.00 0.00 176.35 175.67 1boz s LYS 68 N 4.39 4.38 0.00 1.70 -2.85 -1.26 -3.36 119.74 122.74 1boz s LYS 68 Ca 0.85 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.75 1boz s LYS 68 Cb -0.41 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 1boz s LYS 68 CO 0.39 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.19 1boz n GLY 69 N 0.89 0.93 3.31 0.59 0.00 -1.26 -4.97 105.19 104.68 1boz n GLY 69 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1boz n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1boz s ARG 70 N -0.13 1.23 -0.17 1.61 0.52 -1.21 -4.56 118.95 116.24 1boz s ARG 70 Ca 0.00 -1.39 -0.23 0.00 -0.52 0.00 0.00 55.73 53.58 1boz s ARG 70 Cb 0.00 -1.21 -0.02 0.00 0.52 0.00 0.00 34.95 34.24 1boz s ARG 70 CO 0.00 0.24 0.73 0.42 0.02 0.00 0.00 175.30 176.71 1boz s ILE 71 N -2.19 4.96 -0.21 1.52 1.01 -0.59 -4.85 121.20 120.87 1boz s ILE 71 Ca 0.15 1.42 -0.07 0.00 0.00 0.00 0.00 60.65 62.15 1boz s ILE 71 Cb -0.05 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1boz s ILE 71 CO 0.06 0.09 0.05 0.20 0.00 0.00 0.00 174.94 175.35 1boz s ASN 72 N 1.12 5.34 -0.07 3.58 0.02 -1.26 -0.18 114.94 123.49 1boz s ASN 72 Ca 0.34 -0.06 0.04 0.00 -1.02 0.00 0.00 52.86 52.16 1boz s ASN 72 Cb -0.16 -1.93 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1boz s ASN 72 CO 0.12 0.09 -0.20 -0.22 0.02 0.00 0.00 177.10 176.91 1boz s LEU 73 N 0.87 1.94 -0.08 0.60 0.20 -0.14 -1.49 118.68 120.59 1boz s LEU 73 Ca 0.03 -0.44 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 1boz s LEU 73 Cb -0.14 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.42 1boz s LEU 73 CO 0.02 0.14 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.51 1boz s VAL 74 N 0.29 4.07 -0.30 1.68 1.01 -0.81 -1.13 120.40 125.21 1boz s VAL 74 Ca -0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1boz s VAL 74 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1boz s VAL 74 CO 0.05 0.60 0.18 -0.76 0.00 0.00 0.00 175.10 175.17 1boz s LEU 75 N -0.82 4.11 -0.16 3.92 1.43 -0.16 -1.16 118.68 125.84 1boz s LEU 75 Ca 0.12 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 1boz s LEU 75 Cb -0.11 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.11 1boz s LEU 75 CO 0.02 -0.15 0.61 -0.55 0.23 0.00 0.00 176.35 176.52 1boz s SER 76 N 1.68 -0.61 -0.04 2.29 0.15 -0.67 -2.36 113.70 114.14 1boz s SER 76 Ca 0.06 0.98 0.18 0.00 0.70 0.00 0.00 55.95 57.87 1boz s SER 76 Cb -0.17 0.96 -0.27 0.00 -1.71 0.00 0.00 66.02 64.83 1boz s SER 76 CO 0.08 -0.36 0.35 0.54 1.20 0.00 0.00 173.24 175.05 1boz n ARG 77 N 2.03 0.64 -0.02 5.44 1.74 -1.26 -3.86 116.66 121.37 1boz n ARG 77 Ca -0.16 -0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 56.72 1boz n ARG 77 Cb 0.56 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.45 1boz n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1boz n GLU 78 N -2.19 0.64 -2.36 5.56 1.02 -1.26 -4.93 120.64 117.12 1boz n GLU 78 Ca -0.06 0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 1boz n GLU 78 Cb 0.54 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1boz n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1boz s LEU 79 N -5.87 4.44 0.14 -4.62 1.43 -1.26 -4.95 118.68 107.98 1boz s LEU 79 Ca -0.05 2.22 0.12 0.00 -1.03 0.00 0.00 54.13 55.40 1boz s LEU 79 Cb 0.08 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 1boz s LEU 79 CO 0.82 -0.40 1.17 0.11 0.23 0.00 0.00 176.35 178.28 1boz h LYS 80 N 5.46 0.00 -3.54 1.70 1.79 -1.96 -3.48 116.57 116.54 1boz h LYS 80 Ca -0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 1boz h LYS 80 Cb 1.21 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.74 1boz h LYS 80 CO 0.76 0.65 -0.14 -1.83 -1.08 0.00 0.00 179.45 177.80 1boz s GLU 81 N -2.81 1.15 0.39 3.15 -1.05 -1.26 -5.14 118.70 113.13 1boz s GLU 81 Ca 0.01 -0.90 -0.27 0.00 -0.15 0.00 0.00 54.97 53.66 1boz s GLU 81 Cb 0.09 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1boz s GLU 81 CO 0.80 -0.45 1.41 -1.25 0.95 0.00 0.00 175.26 176.72 1boz s PRO 82 N -3.87 4.01 0.87 -4.83 0.04 -1.26 -4.97 135.00 124.99 1boz s PRO 82 Ca 0.08 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 1boz s PRO 82 Cb 0.02 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.81 1boz s PRO 82 CO -0.06 -0.55 1.18 -2.14 0.04 0.00 0.00 177.00 175.46 1boz s PRO 83 N -2.17 1.28 0.15 0.56 0.02 -1.26 -4.85 135.00 128.73 1boz s PRO 83 Ca 0.55 1.66 -0.34 0.00 0.02 0.00 0.00 61.00 62.90 1boz s PRO 83 Cb -0.43 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.21 1boz s PRO 83 CO 0.57 -2.46 1.62 0.94 -0.33 0.00 0.00 177.00 177.34 1boz n GLN 84 N -3.80 2.25 0.00 5.54 7.27 -1.26 -1.14 117.38 126.24 1boz n GLN 84 Ca 0.13 0.81 0.00 0.00 0.07 0.00 0.00 57.00 58.01 1boz n GLN 84 Cb 0.51 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1boz n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1boz n GLY 85 N 3.56 2.97 3.83 1.69 0.00 -1.26 -4.92 105.19 111.06 1boz n GLY 85 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1boz n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1boz s ALA 86 N -2.77 3.06 -0.15 4.61 0.00 -0.29 -4.08 121.76 122.15 1boz s ALA 86 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 1boz s ALA 86 Cb 0.00 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.76 1boz s ALA 86 CO 0.00 0.08 0.25 0.72 0.00 0.00 0.00 175.76 176.82 1boz n HIS 87 N -0.78 0.95 -4.03 0.00 -0.00 -0.55 -4.75 115.22 106.05 1boz n HIS 87 Ca 0.07 0.21 -0.08 0.00 -0.00 0.00 0.00 57.72 57.92 1boz n HIS 87 Cb 0.54 -1.13 -0.10 0.00 -0.00 0.00 0.00 29.99 29.31 1boz n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1boz s PHE 88 N -2.55 0.41 -0.03 4.41 0.08 -0.87 -4.99 117.98 114.44 1boz s PHE 88 Ca -0.23 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 55.93 1boz s PHE 88 Cb 0.07 -0.30 0.02 0.00 -0.57 0.00 0.00 43.02 42.23 1boz s PHE 88 CO 0.74 -0.38 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.26 1boz s LEU 89 N -2.71 1.51 0.12 -0.37 2.96 -1.26 -1.92 118.68 117.02 1boz s LEU 89 Ca 0.04 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1boz s LEU 89 Cb 0.05 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 1boz s LEU 89 CO -0.09 -0.02 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.33 1boz s SER 90 N 0.61 2.08 0.00 3.68 0.01 -0.31 -4.98 113.70 114.79 1boz s SER 90 Ca -0.08 -0.79 0.24 0.00 1.31 0.00 0.00 55.95 56.62 1boz s SER 90 Cb -0.11 -0.08 0.24 0.00 0.21 0.00 0.00 66.02 66.28 1boz s SER 90 CO 0.00 -0.11 1.23 0.54 0.41 0.00 0.00 173.24 175.31 1boz n ARG 91 N 0.60 0.07 -3.58 12.44 1.74 -1.25 -1.66 116.66 125.01 1boz n ARG 91 Ca -0.16 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 1boz n ARG 91 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1boz n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1boz s SER 92 N -2.97 -0.41 0.23 0.55 1.04 -1.26 -4.61 113.70 106.27 1boz s SER 92 Ca 0.11 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.26 1boz s SER 92 Cb 0.17 0.60 0.23 0.00 0.10 0.00 0.00 66.02 67.12 1boz s SER 92 CO 0.75 -1.03 1.66 0.25 0.98 0.00 0.00 173.24 175.85 1boz h LEU 93 N 2.09 0.76 -0.36 2.42 5.85 -1.99 -1.43 115.31 122.66 1boz h LEU 93 Ca -0.31 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1boz h LEU 93 Cb 1.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1boz h LEU 93 CO 0.37 0.94 -0.07 0.44 -0.34 0.00 0.00 178.44 179.78 1boz h ASP 94 N 0.67 0.69 -0.52 1.25 3.32 -2.00 -1.56 116.42 118.28 1boz h ASP 94 Ca 0.10 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1boz h ASP 94 Cb 0.68 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1boz h ASP 94 CO 0.05 0.88 0.34 0.44 -1.72 0.00 0.00 179.24 179.23 1boz h ASP 95 N 0.48 0.60 -0.12 6.45 3.32 -1.91 -1.56 116.42 123.69 1boz h ASP 95 Ca 0.09 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 1boz h ASP 95 Cb 0.57 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1boz h ASP 95 CO 0.03 0.44 -0.55 0.00 -1.72 0.00 0.00 179.24 177.44 1boz h ALA 96 N 1.67 0.59 -0.23 3.45 0.00 -0.77 -2.89 119.26 121.08 1boz h ALA 96 Ca 0.19 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1boz h ALA 96 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1boz h ALA 96 CO -0.04 0.69 -0.26 -0.07 0.00 0.00 0.00 179.25 179.57 1boz h LEU 97 N 0.54 0.63 -0.54 0.00 3.38 -0.95 -3.18 115.31 115.19 1boz h LEU 97 Ca 0.01 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.57 1boz h LEU 97 Cb 1.12 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1boz h LEU 97 CO 0.11 0.99 -0.46 0.11 0.09 0.00 0.00 178.44 179.28 1boz h LYS 98 N 0.29 -0.25 -0.36 1.13 1.57 -1.32 0.30 116.57 117.92 1boz h LYS 98 Ca 0.03 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1boz h LYS 98 Cb 0.82 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1boz h LYS 98 CO 0.06 -0.17 0.53 1.25 -0.57 0.00 0.00 179.45 180.55 1boz h LEU 99 N -0.26 0.00 -0.79 2.94 6.46 -1.49 0.62 115.31 122.79 1boz h LEU 99 Ca 0.16 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1boz h LEU 99 Cb 0.57 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1boz h LEU 99 CO -0.67 0.00 -0.34 0.74 -0.62 0.00 0.00 178.44 177.55 1boz h THR 100 N 0.00 1.29 -0.04 1.05 2.02 -0.93 -2.42 112.91 113.88 1boz h THR 100 Ca 0.17 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1boz h THR 100 Cb 1.22 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1boz h THR 100 CO -0.00 0.46 0.00 -0.62 0.37 0.00 0.00 175.52 175.73 1boz n GLU 101 N -4.06 1.12 -3.58 6.66 4.71 0.21 -1.69 120.64 124.01 1boz n GLU 101 Ca -0.01 -0.19 -0.33 0.00 -0.01 0.00 0.00 57.16 56.62 1boz n GLU 101 Cb 0.47 -1.15 -0.05 0.00 -1.01 0.00 0.00 31.44 29.70 1boz n GLU 101 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1boz s GLN 102 N -1.94 3.72 0.27 3.49 -1.52 -0.91 -4.86 119.66 117.91 1boz s GLN 102 Ca 0.14 0.10 0.19 0.00 -1.95 0.00 0.00 55.36 53.83 1boz s GLN 102 Cb 0.07 -2.89 1.00 0.00 -0.22 0.00 0.00 33.01 30.97 1boz s GLN 102 CO 0.11 0.49 1.57 -2.30 -0.25 0.00 0.00 175.29 174.90 1boz n PRO 103 N 0.44 0.12 0.00 2.91 -0.02 -1.26 -0.12 135.00 137.07 1boz n PRO 103 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1boz n PRO 103 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1boz n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1boz n GLU 104 N -2.15 0.00 0.02 -0.52 1.02 -1.26 -4.22 120.64 113.53 1boz n GLU 104 Ca -0.01 0.61 0.01 0.00 -0.02 0.00 0.00 57.16 57.75 1boz n GLU 104 Cb 0.03 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1boz n GLU 104 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1boz n LEU 105 N -2.20 0.64 -0.56 -4.62 4.77 -0.75 -4.61 117.00 109.67 1boz n LEU 105 Ca 0.00 0.28 0.45 0.00 -0.03 0.00 0.00 56.01 56.71 1boz n LEU 105 Cb 0.00 0.11 0.74 0.00 -2.33 0.00 0.00 43.42 41.93 1boz n LEU 105 CO 0.00 0.14 1.34 0.00 -1.33 0.00 0.00 177.39 177.54 1boz h ALA 106 N 1.50 3.24 0.00 -1.18 0.00 0.38 -0.44 119.26 122.76 1boz h ALA 106 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1boz h ALA 106 Cb 1.54 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1boz h ALA 106 CO 0.03 -1.87 -1.01 0.27 0.00 0.00 0.00 179.25 176.67 1boz n ASN 107 N -4.40 0.97 -0.03 0.00 2.04 -1.26 -4.29 115.26 108.29 1boz n ASN 107 Ca 0.41 -0.97 0.06 0.00 -0.44 0.00 0.00 54.58 53.64 1boz n ASN 107 Cb 1.72 1.01 -0.16 0.00 -2.53 0.00 0.00 39.78 39.82 1boz n ASN 107 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1boz n LYS 108 N -1.51 0.67 -4.35 -3.83 5.02 -0.20 -4.85 118.16 109.09 1boz n LYS 108 Ca 0.04 -0.15 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1boz n LYS 108 Cb 0.33 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1boz n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1boz s VAL 109 N -3.28 4.15 0.00 -0.18 1.01 -1.04 -1.63 120.40 119.43 1boz s VAL 109 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1boz s VAL 109 Cb 0.12 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1boz s VAL 109 CO 0.89 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 175.85 1boz n ASP 110 N 2.99 0.00 -4.85 3.32 2.03 -0.44 -3.87 116.55 115.73 1boz n ASP 110 Ca -0.18 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.81 1boz n ASP 110 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1boz n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1boz s MET 111 N 0.53 4.00 -0.19 -0.67 -1.94 -1.26 -0.45 119.30 119.32 1boz s MET 111 Ca 0.00 0.66 0.01 0.00 -1.71 0.00 0.00 55.69 54.65 1boz s MET 111 Cb 0.00 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.41 1boz s MET 111 CO 0.00 0.17 -0.18 0.54 -0.01 0.00 0.00 175.02 175.55 1boz s VAL 112 N -1.96 2.19 -0.20 -6.03 0.11 0.57 -0.48 120.40 114.60 1boz s VAL 112 Ca 0.53 -0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 58.55 1boz s VAL 112 Cb -0.10 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1boz s VAL 112 CO 0.18 0.47 0.03 0.26 -3.33 0.00 0.00 175.10 172.71 1boz s TRP 113 N 1.29 3.11 -0.32 1.54 0.52 -0.58 -0.70 118.94 123.79 1boz s TRP 113 Ca 0.04 -0.26 -0.18 0.00 0.02 0.00 0.00 56.10 55.72 1boz s TRP 113 Cb -0.14 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 1boz s TRP 113 CO -0.11 -0.12 0.51 0.42 0.02 0.00 0.00 176.95 177.67 1boz s ILE 114 N 0.89 5.03 -1.26 2.03 1.01 0.12 -0.78 121.20 128.23 1boz s ILE 114 Ca 0.02 0.49 0.14 0.00 0.00 0.00 0.00 60.65 61.31 1boz s ILE 114 Cb -0.14 -3.92 0.38 0.00 0.01 0.00 0.00 42.46 38.79 1boz s ILE 114 CO 0.02 -0.12 1.30 1.33 0.00 0.00 0.00 174.94 177.47 1boz n VAL 115 N 5.35 0.92 0.00 2.92 0.24 -0.47 -2.19 118.33 125.10 1boz n VAL 115 Ca -0.05 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1boz n VAL 115 Cb 0.49 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1boz n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1boz n GLY 116 N 0.83 4.38 0.00 7.63 0.00 -1.26 -4.93 105.19 111.83 1boz n GLY 116 Ca 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1boz n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1boz n GLY 117 N -1.95 1.50 0.27 -0.02 0.00 -1.26 -0.75 105.19 102.97 1boz n GLY 117 Ca 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1boz n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1boz h SER 118 N 0.00 0.71 -0.31 1.61 4.64 -1.99 -1.07 113.55 117.14 1boz h SER 118 Ca 0.00 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1boz h SER 118 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 1boz h SER 118 CO 0.00 0.49 0.09 0.77 -0.87 0.00 0.00 176.83 177.31 1boz h SER 119 N 0.84 0.08 -0.30 4.97 4.64 -1.95 0.70 113.55 122.53 1boz h SER 119 Ca 0.27 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 1boz h SER 119 Cb 0.01 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1boz h SER 119 CO -0.10 0.08 -0.32 0.58 -0.87 0.00 0.00 176.83 176.20 1boz h VAL 120 N 0.22 1.30 -0.11 0.95 2.07 -1.70 -3.03 116.25 115.94 1boz h VAL 120 Ca 0.14 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1boz h VAL 120 Cb 0.12 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1boz h VAL 120 CO -0.15 0.48 0.04 1.88 0.02 0.00 0.00 177.57 179.84 1boz h TYR 121 N 0.51 0.18 -0.61 1.57 0.05 -0.97 -2.23 116.97 115.46 1boz h TYR 121 Ca 0.05 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.91 1boz h TYR 121 Cb 0.90 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.52 1boz h TYR 121 CO 0.07 0.29 0.22 -0.22 -1.05 0.00 0.00 178.16 177.46 1boz h LYS 122 N 0.01 0.38 -0.09 4.88 3.64 -0.89 -2.00 116.57 122.49 1boz h LYS 122 Ca 0.04 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1boz h LYS 122 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1boz h LYS 122 CO -0.00 0.25 -0.68 1.05 -2.27 0.00 0.00 179.45 177.80 1boz h GLU 123 N 0.39 0.40 -0.08 1.90 4.11 -1.45 -3.13 114.58 116.71 1boz h GLU 123 Ca 0.31 -0.30 0.03 0.00 0.07 0.00 0.00 59.36 59.47 1boz h GLU 123 Cb 0.40 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1boz h GLU 123 CO -0.32 0.93 -0.12 0.00 0.07 0.00 0.00 179.01 179.57 1boz h ALA 124 N 0.99 -0.06 0.00 1.06 0.00 -0.84 -1.46 119.26 118.95 1boz h ALA 124 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1boz h ALA 124 Cb 1.24 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1boz h ALA 124 CO 0.12 -0.58 0.07 0.52 0.00 0.00 0.00 179.25 179.37 1boz h MET 125 N -0.16 0.00 0.00 0.00 2.86 -1.40 -0.30 114.93 115.93 1boz h MET 125 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1boz h MET 125 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1boz h MET 125 CO -0.18 0.00 -0.96 0.09 1.06 0.00 0.00 176.91 176.92 1boz n ASN 126 N -2.27 1.65 -4.74 1.22 3.02 -0.94 -4.98 115.26 108.22 1boz n ASN 126 Ca -0.01 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.77 1boz n ASN 126 Cb 0.10 1.23 -0.01 0.00 -0.61 0.00 0.00 39.78 40.49 1boz n ASN 126 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1boz n HIS 127 N -1.54 2.78 -2.43 3.10 -0.00 -0.13 -4.96 115.22 112.05 1boz n HIS 127 Ca -0.00 0.38 -0.32 0.00 0.46 0.00 0.00 57.72 58.24 1boz n HIS 127 Cb 0.20 -2.54 -0.03 0.00 -0.12 0.00 0.00 29.99 27.50 1boz n HIS 127 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1boz s PRO 128 N -1.26 3.91 0.00 1.57 0.04 -1.26 -4.92 135.00 133.09 1boz s PRO 128 Ca 0.59 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1boz s PRO 128 Cb -0.51 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1boz s PRO 128 CO 0.56 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1boz n GLY 129 N -1.60 -0.34 3.70 0.56 0.00 -1.26 -4.99 105.19 101.27 1boz n GLY 129 Ca 0.06 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1boz n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1boz s HIS 130 N 0.00 3.60 -0.13 1.61 5.65 -1.26 -2.99 115.29 121.77 1boz s HIS 130 Ca 0.00 1.58 -0.17 0.00 0.25 0.00 0.00 55.06 56.71 1boz s HIS 130 Cb 0.00 -3.08 0.04 0.00 -1.18 0.00 0.00 32.58 28.37 1boz s HIS 130 CO 0.00 -0.06 0.46 -1.17 -0.65 0.00 0.00 174.74 173.32 1boz s LEU 131 N 1.26 0.25 0.01 8.88 2.96 -0.60 -4.55 118.68 126.90 1boz s LEU 131 Ca 0.48 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 55.22 1boz s LEU 131 Cb -0.20 1.63 -0.02 0.00 0.50 0.00 0.00 46.19 48.10 1boz s LEU 131 CO 0.23 -0.26 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.25 1boz s LYS 132 N -0.19 1.61 -0.18 1.98 1.02 -1.17 -0.51 119.74 122.30 1boz s LYS 132 Ca -0.04 -0.87 -0.00 0.00 0.02 0.00 0.00 55.97 55.08 1boz s LYS 132 Cb -0.03 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 1boz s LYS 132 CO 0.02 0.44 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.22 1boz s LEU 133 N -0.85 2.38 -0.49 3.17 1.02 0.75 -1.20 118.68 123.46 1boz s LEU 133 Ca 0.08 -0.54 -0.12 0.00 0.02 0.00 0.00 54.13 53.57 1boz s LEU 133 Cb -0.09 -1.55 0.12 0.00 0.02 0.00 0.00 46.19 44.69 1boz s LEU 133 CO 0.01 0.03 0.39 -0.36 0.02 0.00 0.00 176.35 176.44 1boz s PHE 134 N 1.15 3.35 -0.18 0.29 0.40 -0.03 -0.97 117.98 121.99 1boz s PHE 134 Ca 0.01 -1.61 -0.04 0.00 -0.60 0.00 0.00 56.93 54.69 1boz s PHE 134 Cb -0.14 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 39.81 1boz s PHE 134 CO -0.06 -0.98 -0.02 0.08 0.70 0.00 0.00 175.22 174.94 1boz s VAL 135 N 1.46 3.91 -0.35 -0.44 1.01 0.74 -1.51 120.40 125.21 1boz s VAL 135 Ca 0.05 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1boz s VAL 135 Cb -0.27 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1boz s VAL 135 CO 0.01 0.46 0.24 -0.89 0.00 0.00 0.00 175.10 174.92 1boz s THR 136 N 0.73 5.13 -0.42 3.92 2.01 -0.67 0.72 115.64 127.07 1boz s THR 136 Ca -0.01 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 1boz s THR 136 Cb -0.14 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1boz s THR 136 CO 0.02 -0.08 0.78 -0.13 -0.69 0.00 0.00 174.62 174.52 1boz s ARG 137 N 1.69 3.55 -0.45 4.92 1.81 0.83 -1.58 118.95 129.71 1boz s ARG 137 Ca 0.05 0.06 -0.22 0.00 -1.72 0.00 0.00 55.73 53.90 1boz s ARG 137 Cb -0.18 -3.89 0.03 0.00 -0.45 0.00 0.00 34.95 30.46 1boz s ARG 137 CO 0.10 -1.01 0.73 0.42 -0.68 0.00 0.00 175.30 174.85 1boz s ILE 138 N 3.22 4.72 0.00 1.52 -1.09 0.13 -1.42 121.20 128.27 1boz s ILE 138 Ca 0.30 0.26 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1boz s ILE 138 Cb -0.12 -4.28 -0.19 0.00 -1.58 0.00 0.00 42.46 36.28 1boz s ILE 138 CO 0.20 -0.69 2.83 0.23 -1.23 0.00 0.00 174.94 176.28 1boz n MET 139 N 6.55 1.50 -3.69 2.79 2.81 0.88 -2.35 117.12 125.61 1boz n MET 139 Ca 0.00 -0.70 -0.05 0.00 -1.81 0.00 0.00 57.70 55.14 1boz n MET 139 Cb 0.48 -1.81 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1boz n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1boz s GLN 140 N 1.29 1.18 0.07 0.03 -2.07 -1.26 -4.82 119.66 114.08 1boz s GLN 140 Ca 0.47 -0.61 -0.24 0.00 -1.82 0.00 0.00 55.36 53.16 1boz s GLN 140 Cb 0.23 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.52 1boz s GLN 140 CO 0.00 -0.54 0.74 -0.51 -1.32 0.00 0.00 175.29 173.67 1boz s ASP 141 N -2.83 7.23 -0.02 12.60 1.11 -1.26 -0.56 116.67 132.94 1boz s ASP 141 Ca 0.10 1.46 -0.00 0.00 0.18 0.00 0.00 52.55 54.29 1boz s ASP 141 Cb -0.02 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.54 1boz s ASP 141 CO -0.01 0.08 0.03 -0.36 1.18 0.00 0.00 175.17 176.10 1boz s PHE 142 N -0.38 0.05 0.24 4.23 0.08 -1.26 -4.98 117.98 115.96 1boz s PHE 142 Ca 0.37 0.13 -0.31 0.00 0.12 0.00 0.00 56.93 57.24 1boz s PHE 142 Cb -0.21 -0.27 -0.13 0.00 -0.57 0.00 0.00 43.02 41.84 1boz s PHE 142 CO 0.23 -0.10 1.47 -1.91 -0.10 0.00 0.00 175.22 174.81 1boz n GLU 143 N 4.27 2.22 -3.96 0.44 2.13 -1.26 -4.83 120.64 119.64 1boz n GLU 143 Ca -0.26 0.79 -0.09 0.00 0.66 0.00 0.00 57.16 58.26 1boz n GLU 143 Cb 0.50 -2.49 -0.08 0.00 0.27 0.00 0.00 31.44 29.64 1boz n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1boz s SER 144 N 0.41 0.22 0.00 4.31 0.01 -1.26 -4.76 113.70 112.63 1boz s SER 144 Ca 0.68 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1boz s SER 144 Cb -0.61 0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1boz s SER 144 CO 0.48 -0.72 0.11 -0.90 0.41 0.00 0.00 173.24 172.62 1boz n ASP 145 N -0.04 0.22 -3.86 2.44 5.68 0.08 -4.98 116.55 116.09 1boz n ASP 145 Ca -0.13 -0.55 -0.14 0.00 -0.50 0.00 0.00 54.79 53.47 1boz n ASP 145 Cb 0.62 0.40 -0.15 0.00 -1.14 0.00 0.00 41.12 40.85 1boz n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1boz s THR 146 N -0.40 0.09 0.18 2.12 -1.32 -1.06 -5.00 115.64 110.25 1boz s THR 146 Ca 0.00 0.02 0.10 0.00 -1.21 0.00 0.00 61.69 60.60 1boz s THR 146 Cb 0.00 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1boz s THR 146 CO 0.00 0.06 -0.22 -0.36 -2.21 0.00 0.00 174.62 171.89 1boz s PHE 147 N 0.36 2.11 0.19 9.09 0.08 -1.26 -0.29 117.98 128.27 1boz s PHE 147 Ca -0.03 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 1boz s PHE 147 Cb -0.05 -1.05 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 1boz s PHE 147 CO -0.01 0.43 0.80 0.12 -0.10 0.00 0.00 175.22 176.45 1boz s PHE 148 N -1.77 3.86 0.64 0.36 5.36 -0.33 -4.69 117.98 121.41 1boz s PHE 148 Ca 0.18 1.63 -0.16 0.00 -0.96 0.00 0.00 56.93 57.63 1boz s PHE 148 Cb -0.07 -2.77 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1boz s PHE 148 CO 0.08 0.46 1.11 -2.14 -1.46 0.00 0.00 175.22 173.27 1boz s PRO 149 N -1.36 2.91 0.45 10.12 0.02 -1.26 -4.95 135.00 140.93 1boz s PRO 149 Ca 0.39 1.41 -0.25 0.00 0.02 0.00 0.00 61.00 62.57 1boz s PRO 149 Cb -0.22 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 1boz s PRO 149 CO 0.26 -1.17 1.31 -1.83 -0.33 0.00 0.00 177.00 175.24 1boz s GLU 150 N -3.98 3.73 -0.24 5.54 -1.05 -1.26 -4.99 118.70 116.44 1boz s GLU 150 Ca 0.68 2.15 -0.14 0.00 -0.15 0.00 0.00 54.97 57.51 1boz s GLU 150 Cb -0.21 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1boz s GLU 150 CO 0.39 -0.69 0.30 0.42 0.95 0.00 0.00 175.26 176.63 1boz s ILE 151 N -1.31 5.25 -0.73 1.83 1.01 -1.26 -5.03 121.20 120.96 1boz s ILE 151 Ca 0.61 0.46 -0.27 0.00 0.00 0.00 0.00 60.65 61.45 1boz s ILE 151 Cb -0.38 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.48 1boz s ILE 151 CO 0.48 0.25 1.32 -0.62 0.00 0.00 0.00 174.94 176.37 1boz s ASP 152 N 1.31 6.10 0.00 3.58 -1.08 -1.26 -4.87 116.67 120.45 1boz s ASP 152 Ca 0.13 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 51.87 1boz s ASP 152 Cb -0.15 -2.56 0.34 0.00 -1.46 0.00 0.00 42.92 39.10 1boz s ASP 152 CO 0.08 -1.87 1.25 0.18 0.52 0.00 0.00 175.17 175.33 1boz n LEU 153 N 9.62 0.00 0.15 -1.34 4.77 -1.26 -0.16 117.00 128.79 1boz n LEU 153 Ca 0.05 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1boz n LEU 153 Cb 0.49 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1boz n LEU 153 CO 0.71 -0.36 0.44 -0.33 -1.33 0.00 0.00 177.39 176.52 1boz h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.37 114.58 116.80 1boz h GLU 154 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1boz h GLU 154 Cb 0.14 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1boz h GLU 154 CO 0.00 0.00 -2.21 1.63 -1.16 0.00 0.00 179.01 177.27 1boz n LYS 155 N -2.82 0.49 -3.47 2.33 5.02 0.35 -4.99 118.16 115.08 1boz n LYS 155 Ca 0.02 0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 56.10 1boz n LYS 155 Cb 0.53 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1boz n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1boz s TYR 156 N -2.41 3.60 -0.13 2.13 2.02 0.77 -4.52 117.35 118.82 1boz s TYR 156 Ca -0.30 0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1boz s TYR 156 Cb 0.10 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1boz s TYR 156 CO 0.43 0.42 0.00 0.15 -1.57 0.00 0.00 175.55 174.98 1boz s LYS 157 N -0.22 3.40 0.03 -0.62 -0.14 -0.55 -4.41 119.74 117.22 1boz s LYS 157 Ca 0.22 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 54.11 1boz s LYS 157 Cb -0.15 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1boz s LYS 157 CO 0.10 0.48 0.99 -1.17 -0.76 0.00 0.00 175.35 174.98 1boz s LEU 158 N -0.25 4.40 0.36 3.17 2.96 -1.26 -1.09 118.68 126.96 1boz s LEU 158 Ca 0.06 1.71 -0.21 0.00 -0.22 0.00 0.00 54.13 55.47 1boz s LEU 158 Cb -0.12 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1boz s LEU 158 CO 0.02 -0.23 0.88 -0.76 -1.32 0.00 0.00 176.35 174.94 1boz s LEU 159 N 0.80 4.11 0.42 -0.68 1.43 0.22 -4.95 118.68 120.04 1boz s LEU 159 Ca 0.51 1.61 0.23 0.00 -1.03 0.00 0.00 54.13 55.46 1boz s LEU 159 Cb -0.22 -4.21 0.83 0.00 0.03 0.00 0.00 46.19 42.62 1boz s LEU 159 CO 0.28 -0.21 1.79 -0.65 0.23 0.00 0.00 176.35 177.79 1boz h PRO 160 N 2.46 0.00 -1.95 1.29 0.11 -1.95 -3.44 132.00 128.51 1boz h PRO 160 Ca -0.48 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.80 1boz h PRO 160 Cb 1.18 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 1boz h PRO 160 CO 0.63 0.25 0.62 -1.83 -0.21 0.00 0.00 178.00 177.47 1boz s GLU 161 N -3.59 0.63 -0.21 1.05 -1.05 -1.26 -5.07 118.70 109.20 1boz s GLU 161 Ca 0.01 -0.25 -0.11 0.00 -0.15 0.00 0.00 54.97 54.47 1boz s GLU 161 Cb 0.10 0.28 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1boz s GLU 161 CO 0.65 -0.28 0.51 -0.47 0.95 0.00 0.00 175.26 176.62 1boz s TYR 162 N -2.84 -0.79 0.14 4.83 5.04 -1.26 -5.06 117.35 117.41 1boz s TYR 162 Ca 0.07 1.62 -0.33 0.00 -2.44 0.00 0.00 57.07 55.99 1boz s TYR 162 Cb -0.01 0.41 -0.13 0.00 0.35 0.00 0.00 41.96 42.59 1boz s TYR 162 CO -0.07 -0.42 1.70 -0.35 -1.34 0.00 0.00 175.55 175.07 1boz n PRO 163 N 4.36 2.45 -0.82 4.97 -0.04 -1.26 -2.08 135.00 142.57 1boz n PRO 163 Ca -0.21 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1boz n PRO 163 Cb 0.56 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1boz n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1boz n GLY 164 N 3.82 0.70 3.03 0.55 0.00 -1.26 -5.02 105.19 107.01 1boz n GLY 164 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1boz n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1boz s VAL 165 N -2.59 1.93 0.30 1.61 1.01 -0.88 -5.09 120.40 116.68 1boz s VAL 165 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 1boz s VAL 165 Cb 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 1boz s VAL 165 CO 0.00 0.05 1.45 0.18 0.00 0.00 0.00 175.10 176.78 1boz n LEU 166 N 4.55 3.83 0.00 3.92 4.32 -1.26 -4.52 117.00 127.83 1boz n LEU 166 Ca -0.14 1.17 0.11 0.00 -0.02 0.00 0.00 56.01 57.12 1boz n LEU 166 Cb 0.44 -1.52 0.02 0.00 -1.62 0.00 0.00 43.42 40.74 1boz n LEU 166 CO 0.21 -0.20 0.13 -1.20 -1.22 0.00 0.00 177.39 175.10 1boz n SER 167 N 1.62 0.78 -4.87 -1.43 7.64 -1.26 -4.37 113.62 111.72 1boz n SER 167 Ca 0.08 -0.66 -0.21 0.00 1.01 0.00 0.00 58.87 59.09 1boz n SER 167 Cb 0.35 0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1boz n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1boz s ASP 168 N -3.08 5.53 0.08 6.43 -4.77 -1.26 -4.92 116.67 114.67 1boz s ASP 168 Ca 0.09 -0.34 -0.31 0.00 -3.30 0.00 0.00 52.55 48.68 1boz s ASP 168 Cb 0.16 -1.19 -0.09 0.00 -1.09 0.00 0.00 42.92 40.72 1boz s ASP 168 CO 0.80 -0.26 1.64 -0.69 0.70 0.00 0.00 175.17 177.36 1boz s VAL 169 N -2.22 2.98 0.30 2.11 1.01 -1.26 -4.72 120.40 118.60 1boz s VAL 169 Ca 0.39 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1boz s VAL 169 Cb -0.07 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1boz s VAL 169 CO 0.27 0.00 0.34 -1.10 0.00 0.00 0.00 175.10 174.62 1boz s GLN 170 N 2.40 3.03 -0.11 2.72 -1.52 0.56 -4.94 119.66 121.80 1boz s GLN 170 Ca 0.73 -1.06 -0.06 0.00 -1.95 0.00 0.00 55.36 53.02 1boz s GLN 170 Cb -0.40 -2.68 0.04 0.00 -0.22 0.00 0.00 33.01 29.75 1boz s GLN 170 CO 0.32 0.21 0.26 -2.00 -0.25 0.00 0.00 175.29 173.83 1boz s GLU 171 N -4.02 0.23 -0.11 2.91 2.12 -1.26 -0.86 118.70 117.71 1boz s GLU 171 Ca 0.39 0.51 -0.07 0.00 0.36 0.00 0.00 54.97 56.17 1boz s GLU 171 Cb -0.08 -0.07 0.04 0.00 0.26 0.00 0.00 34.13 34.28 1boz s GLU 171 CO 0.28 -0.14 0.27 -2.00 -0.54 0.00 0.00 175.26 173.13 1boz s GLU 172 N 1.07 0.27 -1.60 4.30 2.12 -0.17 -4.87 118.70 119.81 1boz s GLU 172 Ca -0.08 0.51 -0.16 0.00 0.36 0.00 0.00 54.97 55.60 1boz s GLU 172 Cb -0.09 -0.02 0.12 0.00 0.26 0.00 0.00 34.13 34.40 1boz s GLU 172 CO -0.07 -0.12 0.91 1.63 -0.54 0.00 0.00 175.26 177.07 1boz n LYS 173 N 3.79 -4.61 -1.25 4.30 5.02 -1.26 -0.84 118.16 123.32 1boz n LYS 173 Ca -0.21 0.51 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 1boz n LYS 173 Cb 0.55 -5.34 -0.04 0.00 -0.02 0.00 0.00 35.03 30.18 1boz n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1boz n GLY 174 N -1.58 0.98 3.27 0.72 0.00 -1.26 -5.01 105.19 102.31 1boz n GLY 174 Ca 0.06 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1boz n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1boz s ILE 175 N -2.11 2.59 -0.09 -0.61 1.01 -0.02 -5.13 121.20 116.84 1boz s ILE 175 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1boz s ILE 175 Cb 0.00 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1boz s ILE 175 CO 0.00 0.53 0.35 -0.54 0.00 0.00 0.00 174.94 175.28 1boz s LYS 176 N 0.63 4.07 0.11 2.79 1.02 -1.26 -1.00 119.74 126.09 1boz s LYS 176 Ca -0.09 0.24 -0.06 0.00 0.02 0.00 0.00 55.97 56.08 1boz s LYS 176 Cb -0.16 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1boz s LYS 176 CO 0.03 0.44 0.15 1.52 -0.92 0.00 0.00 175.35 176.56 1boz s TYR 177 N -0.20 0.42 -0.01 3.18 -0.85 -0.04 -0.08 117.35 119.76 1boz s TYR 177 Ca 0.20 -0.85 -0.08 0.00 -0.52 0.00 0.00 57.07 55.82 1boz s TYR 177 Cb -0.15 -0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.00 1boz s TYR 177 CO 0.08 -0.55 0.18 -1.59 -1.52 0.00 0.00 175.55 172.14 1boz s LYS 178 N -3.94 0.47 -0.12 -3.49 -2.85 -0.51 -0.32 119.74 108.98 1boz s LYS 178 Ca 0.12 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 54.70 1boz s LYS 178 Cb 0.06 0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1boz s LYS 178 CO -0.06 -0.11 0.36 -0.06 0.10 0.00 0.00 175.35 175.59 1boz s PHE 179 N -1.11 3.52 0.06 1.78 0.08 -1.26 -0.12 117.98 120.94 1boz s PHE 179 Ca -0.12 0.74 0.06 0.00 0.12 0.00 0.00 56.93 57.73 1boz s PHE 179 Cb -0.06 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1boz s PHE 179 CO 0.02 0.30 -0.16 -1.21 -0.10 0.00 0.00 175.22 174.07 1boz s GLU 180 N 0.22 0.99 -0.10 0.44 2.02 0.22 -4.83 118.70 117.66 1boz s GLU 180 Ca 0.20 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1boz s GLU 180 Cb -0.14 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 33.05 1boz s GLU 180 CO 0.07 0.25 -0.09 0.08 0.02 0.00 0.00 175.26 175.59 1boz s VAL 181 N -1.01 1.08 -0.00 2.63 1.01 -1.26 -0.19 120.40 122.66 1boz s VAL 181 Ca 0.02 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1boz s VAL 181 Cb -0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1boz s VAL 181 CO 0.02 0.37 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 1boz s TYR 182 N 1.41 2.49 -0.00 5.22 1.51 -0.15 0.71 117.35 128.54 1boz s TYR 182 Ca -0.00 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1boz s TYR 182 Cb -0.13 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1boz s TYR 182 CO -0.05 0.13 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.39 1boz s GLU 183 N -0.98 1.05 0.11 -0.62 2.12 -0.25 -0.18 118.70 119.95 1boz s GLU 183 Ca 0.12 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1boz s GLU 183 Cb -0.10 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1boz s GLU 183 CO 0.02 0.28 -0.11 0.21 -0.54 0.00 0.00 175.26 175.12 1boz s LYS 184 N -0.40 0.90 -0.40 4.30 2.20 0.33 -1.49 119.74 125.19 1boz s LYS 184 Ca 0.05 -1.21 0.08 0.00 -0.36 0.00 0.00 55.97 54.52 1boz s LYS 184 Cb -0.05 -0.61 0.18 0.00 -1.51 0.00 0.00 37.83 35.83 1boz s LYS 184 CO -0.00 0.10 0.61 1.21 -0.36 0.00 0.00 175.35 176.91 1boz s ASN 185 N -2.53 -1.39 0.00 1.43 3.04 -1.25 -1.55 114.94 112.68 1boz s ASN 185 Ca 0.07 -0.73 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1boz s ASN 185 Cb -0.03 1.90 0.00 0.00 -1.54 0.00 0.00 41.25 41.58 1boz s ASN 185 CO 0.01 -0.19 0.00 -0.90 -3.04 0.00 0.00 177.10 172.98