#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkd s THR 2 N 0.00 3.69 -0.20 3.17 2.01 -1.26 -4.88 115.64 118.17 1bkd s THR 2 Ca 0.00 1.67 -0.03 0.00 0.31 0.00 0.00 61.69 63.64 1bkd s THR 2 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1bkd s THR 2 CO 0.00 0.39 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.54 1bkd s GLU 3 N -1.24 3.34 -0.24 4.92 2.12 -1.26 -0.82 118.70 125.52 1bkd s GLU 3 Ca 0.44 -0.65 -0.08 0.00 0.36 0.00 0.00 54.97 55.04 1bkd s GLU 3 Cb -0.30 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1bkd s GLU 3 CO 0.38 -0.14 0.08 0.71 -0.54 0.00 0.00 175.26 175.75 1bkd s TYR 4 N 1.29 3.13 -0.51 5.30 2.02 0.27 -4.99 117.35 123.86 1bkd s TYR 4 Ca 0.03 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.27 1bkd s TYR 4 Cb -0.14 -2.23 0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1bkd s TYR 4 CO -0.03 -0.24 0.73 0.15 -1.57 0.00 0.00 175.55 174.59 1bkd s LYS 5 N 1.40 3.22 -0.07 -0.62 1.02 -1.26 -0.96 119.74 122.47 1bkd s LYS 5 Ca 0.06 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 1bkd s LYS 5 Cb -0.15 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 1bkd s LYS 5 CO 0.04 -1.27 0.11 -0.51 -0.92 0.00 0.00 175.35 172.80 1bkd s LEU 6 N 3.08 4.13 -0.05 3.17 1.43 0.14 -1.14 118.68 129.45 1bkd s LEU 6 Ca 0.21 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1bkd s LEU 6 Cb -0.16 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1bkd s LEU 6 CO 0.16 0.35 -0.14 -0.69 0.23 0.00 0.00 176.35 176.26 1bkd s VAL 7 N -1.08 1.23 -0.17 -1.59 1.01 -0.76 -0.45 120.40 118.58 1bkd s VAL 7 Ca 0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1bkd s VAL 7 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1bkd s VAL 7 CO 0.08 0.37 0.06 -0.69 0.00 0.00 0.00 175.10 174.92 1bkd s VAL 8 N 0.26 4.81 0.05 2.92 1.01 -0.18 -1.34 120.40 127.93 1bkd s VAL 8 Ca -0.07 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1bkd s VAL 8 Cb -0.12 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1bkd s VAL 8 CO 0.02 0.49 -0.12 0.68 0.00 0.00 0.00 175.10 176.18 1bkd s VAL 9 N 0.11 0.92 0.00 2.92 -7.23 -0.52 -4.59 120.40 112.01 1bkd s VAL 9 Ca 0.05 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1bkd s VAL 9 Cb -0.12 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1bkd s VAL 9 CO 0.01 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1bkd n GLY 10 N 1.60 2.88 3.72 2.32 0.00 -1.26 -0.11 105.19 114.34 1bkd n GLY 10 Ca -0.20 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1bkd n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bkd n ALA 11 N -1.00 1.30 -1.97 4.61 0.00 -1.26 -5.00 120.51 117.19 1bkd n ALA 11 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 1bkd n ALA 11 Cb 0.00 -2.31 0.09 0.00 0.00 0.00 0.00 19.45 17.22 1bkd n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bkd s GLY 12 N -1.01 1.77 0.00 0.00 0.00 -1.26 -4.46 107.32 102.36 1bkd s GLY 12 Ca 0.73 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1bkd s GLY 12 CO 0.48 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 173.23 1bkd n GLY 13 N -2.78 0.48 0.18 0.20 0.00 -1.26 -4.83 105.19 97.17 1bkd n GLY 13 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1bkd n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bkd n VAL 14 N -2.76 0.67 -2.99 1.61 0.24 -1.26 -5.04 118.33 108.79 1bkd n VAL 14 Ca 0.00 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.34 61.42 1bkd n VAL 14 Cb 0.06 0.43 0.05 0.00 -1.47 0.00 0.00 33.84 32.91 1bkd n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bkd n GLY 15 N -0.46 0.09 0.29 7.63 0.00 -1.26 -4.87 105.19 106.61 1bkd n GLY 15 Ca 0.04 -0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1bkd n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bkd h LYS 16 N -1.33 0.00 0.00 1.61 2.10 -1.96 -2.68 116.57 114.30 1bkd h LYS 16 Ca -0.31 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.33 1bkd h LYS 16 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1bkd h LYS 16 CO 0.29 0.03 -0.05 0.66 -2.00 0.00 0.00 179.45 178.39 1bkd h SER 17 N 0.00 0.00 -0.14 7.07 4.64 -1.96 -2.36 113.55 120.81 1bkd h SER 17 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1bkd h SER 17 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1bkd h SER 17 CO 0.00 0.05 0.11 0.00 -0.87 0.00 0.00 176.83 176.12 1bkd h ALA 18 N 1.95 1.99 0.23 5.18 0.00 -1.88 -2.36 119.26 124.37 1bkd h ALA 18 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bkd h ALA 18 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bkd h ALA 18 CO 0.01 -0.18 -0.11 1.25 0.00 0.00 0.00 179.25 180.22 1bkd h LEU 19 N 0.00 -0.26 -1.75 0.00 6.46 -1.66 -1.04 115.31 117.06 1bkd h LEU 19 Ca 0.06 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1bkd h LEU 19 Cb 0.28 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1bkd h LEU 19 CO -0.00 -0.19 -0.04 0.74 -0.62 0.00 0.00 178.44 178.33 1bkd h THR 20 N -0.31 1.08 -0.15 1.05 2.02 -1.73 -2.73 112.91 112.15 1bkd h THR 20 Ca -0.03 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1bkd h THR 20 Cb 0.24 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1bkd h THR 20 CO 0.05 0.10 -0.20 0.40 0.37 0.00 0.00 175.52 176.24 1bkd h ILE 21 N 0.10 1.36 -0.20 3.11 2.04 -1.41 -2.68 117.51 119.82 1bkd h ILE 21 Ca 0.02 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1bkd h ILE 21 Cb 0.15 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1bkd h ILE 21 CO 0.01 0.42 -0.03 1.56 0.00 0.00 0.00 178.15 180.11 1bkd h GLN 22 N 0.01 0.30 0.26 2.37 4.20 -1.01 -2.63 115.11 118.61 1bkd h GLN 22 Ca 0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1bkd h GLN 22 Cb 0.76 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1bkd h GLN 22 CO 0.05 0.36 -0.12 1.25 -0.67 0.00 0.00 178.83 179.69 1bkd h LEU 23 N 0.30 -0.29 -4.14 1.46 5.85 -1.42 -3.23 115.31 113.84 1bkd h LEU 23 Ca 0.07 -0.13 -0.26 0.00 0.84 0.00 0.00 57.88 58.39 1bkd h LEU 23 Cb 0.25 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1bkd h LEU 23 CO 0.01 -0.03 -0.04 -0.38 -0.34 0.00 0.00 178.44 177.66 1bkd n ILE 24 N -5.15 3.13 -3.65 4.05 5.41 -0.99 -4.80 119.36 117.35 1bkd n ILE 24 Ca -0.09 -1.78 -0.14 0.00 1.00 0.00 0.00 62.75 61.74 1bkd n ILE 24 Cb 0.22 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.10 1bkd n ILE 24 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1bkd s GLN 25 N 0.69 0.88 0.48 0.38 -0.21 -1.22 -4.96 119.66 115.70 1bkd s GLN 25 Ca 0.66 -0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.95 1bkd s GLN 25 Cb 0.32 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.73 1bkd s GLN 25 CO -0.03 -0.28 0.37 -0.80 -2.12 0.00 0.00 175.29 172.42 1bkd s ASN 26 N -1.61 4.76 0.34 5.90 0.02 -1.26 -5.01 114.94 118.08 1bkd s ASN 26 Ca -0.09 -1.02 -0.29 0.00 -1.02 0.00 0.00 52.86 50.44 1bkd s ASN 26 Cb -0.02 -0.10 -0.11 0.00 0.02 0.00 0.00 41.25 41.03 1bkd s ASN 26 CO 0.03 -0.85 1.51 1.41 0.02 0.00 0.00 177.10 179.21 1bkd n HIS 27 N -1.61 2.85 -0.79 2.20 8.25 -1.26 -1.23 115.22 123.62 1bkd n HIS 27 Ca 0.01 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1bkd n HIS 27 Cb 0.63 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.20 1bkd n HIS 27 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1bkd n PHE 28 N 1.13 0.00 -3.35 4.41 1.16 -1.26 -4.92 117.46 114.63 1bkd n PHE 28 Ca 0.05 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 55.17 1bkd n PHE 28 Cb 0.37 -1.54 -0.04 0.00 -1.61 0.00 0.00 39.48 36.66 1bkd n PHE 28 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1bkd s VAL 29 N -1.24 5.24 -1.07 1.97 1.01 -0.37 -4.84 120.40 121.11 1bkd s VAL 29 Ca 0.00 -1.95 0.13 0.00 0.00 0.00 0.00 61.98 60.16 1bkd s VAL 29 Cb 0.00 -4.32 0.37 0.00 0.00 0.00 0.00 36.38 32.43 1bkd s VAL 29 CO 0.00 -0.93 1.31 0.47 0.00 0.00 0.00 175.10 175.95 1bkd n ASP 30 N 4.66 3.14 -4.83 3.32 8.00 -1.26 -4.21 116.55 125.38 1bkd n ASP 30 Ca -0.02 -2.03 -0.34 0.00 0.71 0.00 0.00 54.79 53.10 1bkd n ASP 30 Cb 0.43 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 1bkd n ASP 30 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1bkd s GLU 31 N -1.06 4.17 -0.24 -1.24 2.02 -1.26 -5.08 118.70 116.01 1bkd s GLU 31 Ca 0.28 0.85 -0.10 0.00 0.02 0.00 0.00 54.97 56.02 1bkd s GLU 31 Cb 0.15 -2.61 0.09 0.00 0.10 0.00 0.00 34.13 31.86 1bkd s GLU 31 CO 0.18 0.24 0.54 -0.47 0.02 0.00 0.00 175.26 175.77 1bkd s TYR 32 N -1.79 -0.96 -0.38 1.61 5.04 -1.26 -5.02 117.35 114.59 1bkd s TYR 32 Ca 0.50 1.82 0.03 0.00 -2.44 0.00 0.00 57.07 56.98 1bkd s TYR 32 Cb -0.13 0.50 0.11 0.00 0.35 0.00 0.00 41.96 42.79 1bkd s TYR 32 CO 0.19 -0.51 0.12 0.34 -1.34 0.00 0.00 175.55 174.34 1bkd s ASP 33 N 2.22 4.43 0.00 4.32 2.15 -1.26 -5.00 116.67 123.54 1bkd s ASP 33 Ca -0.06 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.66 1bkd s ASP 33 Cb -0.10 -1.42 0.00 0.00 -0.30 0.00 0.00 42.92 41.10 1bkd s ASP 33 CO -0.16 -0.35 0.23 -0.81 -0.17 0.00 0.00 175.17 173.92 1bkd n PRO 34 N 4.09 0.28 0.00 4.34 -0.04 -1.26 -2.80 135.00 139.61 1bkd n PRO 34 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1bkd n PRO 34 Cb 0.39 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1bkd n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1bkd n THR 35 N 0.69 0.00 -2.48 0.52 -1.04 -1.26 -5.04 114.28 105.68 1bkd n THR 35 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1bkd n THR 35 Cb 0.12 -0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 1bkd n THR 35 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1bkd s ILE 36 N -1.84 4.16 0.44 12.58 1.01 -1.12 -4.94 121.20 131.48 1bkd s ILE 36 Ca 0.00 1.19 0.24 0.00 0.00 0.00 0.00 60.65 62.08 1bkd s ILE 36 Cb 0.00 -3.55 0.27 0.00 0.01 0.00 0.00 42.46 39.19 1bkd s ILE 36 CO 0.00 -0.44 2.06 -0.33 0.00 0.00 0.00 174.94 176.24 1bkd h GLU 37 N 1.25 0.00 0.00 2.79 5.08 -1.96 -2.12 114.58 119.62 1bkd h GLU 37 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bkd h GLU 37 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bkd h GLU 37 CO 0.60 0.13 0.00 -0.25 -1.00 0.00 0.00 179.01 178.49 1bkd n ASP 38 N -3.85 0.52 0.22 1.42 9.92 -1.26 -2.11 116.55 121.41 1bkd n ASP 38 Ca -0.02 0.64 0.12 0.00 -0.53 0.00 0.00 54.79 55.00 1bkd n ASP 38 Cb 0.23 -0.75 0.25 0.00 -0.64 0.00 0.00 41.12 40.21 1bkd n ASP 38 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1bkd h SER 39 N 0.00 0.00 0.00 -2.24 4.64 -1.64 -3.37 113.55 110.95 1bkd h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bkd h SER 39 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1bkd h SER 39 CO 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1bkd n TYR 40 N -3.12 0.00 -4.26 4.77 4.11 -1.15 -4.94 117.16 112.57 1bkd n TYR 40 Ca 0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.61 1bkd n TYR 40 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.68 1bkd n TYR 40 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1bkd s ARG 41 N -0.27 2.78 -0.00 -3.48 0.52 -0.90 -0.75 118.95 116.85 1bkd s ARG 41 Ca 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1bkd s ARG 41 Cb 0.00 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 1bkd s ARG 41 CO 0.00 -0.16 -0.06 0.21 0.02 0.00 0.00 175.30 175.32 1bkd s LYS 42 N 1.19 0.45 -0.20 3.54 2.20 -0.62 -4.54 119.74 121.76 1bkd s LYS 42 Ca 0.01 -0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1bkd s LYS 42 Cb -0.14 -0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 35.72 1bkd s LYS 42 CO -0.09 0.11 0.11 1.14 -0.36 0.00 0.00 175.35 176.26 1bkd s GLN 43 N -0.20 4.07 0.26 4.03 -2.07 -1.26 -0.01 119.66 124.48 1bkd s GLN 43 Ca 0.02 -0.28 0.03 0.00 -1.82 0.00 0.00 55.36 53.31 1bkd s GLN 43 Cb -0.02 -3.36 -0.05 0.00 -1.09 0.00 0.00 33.01 28.48 1bkd s GLN 43 CO -0.00 0.23 0.02 0.14 -1.32 0.00 0.00 175.29 174.36 1bkd s VAL 44 N 0.53 1.04 -0.32 3.63 -7.23 -0.05 -4.98 120.40 113.01 1bkd s VAL 44 Ca 0.06 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1bkd s VAL 44 Cb -0.12 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.37 1bkd s VAL 44 CO 0.00 -0.20 0.06 -0.69 -0.31 0.00 0.00 175.10 173.96 1bkd s VAL 45 N -3.41 3.37 -0.22 1.32 1.01 -1.26 -0.80 120.40 120.41 1bkd s VAL 45 Ca 0.32 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1bkd s VAL 45 Cb 0.07 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1bkd s VAL 45 CO 0.11 -0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 174.29 1bkd s ILE 46 N 1.32 2.42 -1.38 2.22 1.01 -0.94 -4.68 121.20 121.17 1bkd s ILE 46 Ca -0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 1bkd s ILE 46 Cb -0.20 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1bkd s ILE 46 CO 0.01 0.34 1.04 0.47 0.00 0.00 0.00 174.94 176.80 1bkd n ASP 47 N 4.62 -4.57 0.00 3.58 8.00 -1.26 -1.88 116.55 125.04 1bkd n ASP 47 Ca -0.18 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1bkd n ASP 47 Cb 0.48 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1bkd n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bkd n GLY 48 N -1.73 2.44 3.56 0.44 0.00 -1.26 -4.95 105.19 103.69 1bkd n GLY 48 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1bkd n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bkd s GLU 49 N 0.00 3.50 0.30 1.61 2.12 -0.79 -5.03 118.70 120.41 1bkd s GLU 49 Ca 0.00 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 1bkd s GLU 49 Cb 0.00 -3.91 -0.09 0.00 0.26 0.00 0.00 34.13 30.38 1bkd s GLU 49 CO 0.00 -1.09 1.09 -0.08 -0.54 0.00 0.00 175.26 174.64 1bkd s THR 50 N 3.37 3.51 0.37 -1.70 -1.32 -1.26 -2.20 115.64 116.40 1bkd s THR 50 Ca 0.32 1.45 -0.11 0.00 -1.21 0.00 0.00 61.69 62.14 1bkd s THR 50 Cb -0.12 -3.90 0.04 0.00 -1.51 0.00 0.00 72.50 67.01 1bkd s THR 50 CO 0.22 0.30 0.67 0.00 -2.21 0.00 0.00 174.62 173.61 1bkd s LEU 52 N -3.13 2.40 -0.27 0.00 2.96 -0.00 -0.87 118.68 119.76 1bkd s LEU 52 Ca 0.21 -0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 1bkd s LEU 52 Cb -0.03 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1bkd s LEU 52 CO 0.15 0.07 0.29 -0.76 -1.32 0.00 0.00 176.35 174.77 1bkd s LEU 53 N 0.92 4.04 -0.34 -0.68 1.02 0.99 -0.57 118.68 124.07 1bkd s LEU 53 Ca -0.03 0.18 -0.04 0.00 0.02 0.00 0.00 54.13 54.25 1bkd s LEU 53 Cb -0.15 -2.29 0.06 0.00 0.02 0.00 0.00 46.19 43.83 1bkd s LEU 53 CO -0.02 -0.11 0.09 -0.62 0.02 0.00 0.00 176.35 175.71 1bkd s ASP 54 N 1.60 5.15 -0.28 2.29 -1.08 -0.13 -1.59 116.67 122.63 1bkd s ASP 54 Ca 0.12 -1.38 -0.08 0.00 -0.52 0.00 0.00 52.55 50.69 1bkd s ASP 54 Cb -0.16 -1.80 -0.01 0.00 -1.46 0.00 0.00 42.92 39.49 1bkd s ASP 54 CO 0.10 -0.35 0.09 -0.63 0.52 0.00 0.00 175.17 174.89 1bkd s ILE 55 N 1.29 4.23 -0.35 4.11 1.01 0.07 0.26 121.20 131.82 1bkd s ILE 55 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1bkd s ILE 55 Cb -0.20 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1bkd s ILE 55 CO -0.00 0.18 0.32 -0.22 0.00 0.00 0.00 174.94 175.22 1bkd s LEU 56 N 1.57 4.51 -0.44 2.97 2.96 0.40 -4.80 118.68 125.85 1bkd s LEU 56 Ca 0.05 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1bkd s LEU 56 Cb -0.16 -2.26 0.14 0.00 0.50 0.00 0.00 46.19 44.40 1bkd s LEU 56 CO 0.04 -0.32 0.26 -0.62 -1.32 0.00 0.00 176.35 174.39 1bkd s ASP 57 N 1.73 3.46 0.00 3.68 2.15 -1.26 -1.01 116.67 125.42 1bkd s ASP 57 Ca 0.10 -2.69 0.00 0.00 0.43 0.00 0.00 52.55 50.38 1bkd s ASP 57 Cb -0.17 -0.95 0.00 0.00 -0.30 0.00 0.00 42.92 41.50 1bkd s ASP 57 CO 0.11 -0.25 0.61 0.35 -0.17 0.00 0.00 175.17 175.82 1bkd n THR 58 N 3.44 0.54 -1.55 1.71 -2.24 -1.26 -4.93 114.28 109.99 1bkd n THR 58 Ca 0.11 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.40 1bkd n THR 58 Cb 0.36 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1bkd n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bkd n ALA 59 N 0.56 -1.28 0.00 6.98 0.00 -1.26 -1.53 120.51 123.98 1bkd n ALA 59 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1bkd n ALA 59 Cb 0.30 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1bkd n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkd n GLY 60 N 1.85 3.46 1.84 0.00 0.00 -1.26 -4.91 105.19 106.17 1bkd n GLY 60 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1bkd n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bkd n GLN 61 N -1.86 4.68 0.03 1.61 6.02 -0.58 -4.66 117.38 122.63 1bkd n GLN 61 Ca 0.00 -3.12 0.20 0.00 -0.01 0.00 0.00 57.00 54.07 1bkd n GLN 61 Cb 0.00 -2.20 0.72 0.00 1.02 0.00 0.00 30.24 29.78 1bkd n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1bkd h GLU 62 N 4.04 0.00 0.00 -1.09 3.07 -1.91 -0.92 114.58 117.77 1bkd h GLU 62 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1bkd h GLU 62 Cb 1.88 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.79 1bkd h GLU 62 CO 0.44 0.00 -0.04 0.93 -1.40 0.00 0.00 179.01 178.94 1bkd h GLU 63 N 0.00 0.00 -3.25 2.33 4.39 -1.99 -3.24 114.58 112.82 1bkd h GLU 63 Ca 0.23 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.24 1bkd h GLU 63 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1bkd h GLU 63 CO -0.00 0.04 3.45 0.66 -1.16 0.00 0.00 179.01 181.99 1bkd n TYR 64 N -3.14 2.75 -0.27 4.33 4.01 -0.35 -4.68 117.16 119.81 1bkd n TYR 64 Ca 0.01 -3.03 -0.02 0.00 -0.16 0.00 0.00 57.90 54.70 1bkd n TYR 64 Cb 0.35 -2.42 0.10 0.00 -0.31 0.00 0.00 39.34 37.06 1bkd n TYR 64 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1bkd h SER 65 N 5.26 0.77 0.00 7.72 4.64 -1.80 -1.94 113.55 128.20 1bkd h SER 65 Ca 0.76 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1bkd h SER 65 Cb 0.39 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1bkd h SER 65 CO 1.78 0.52 0.00 0.00 -0.87 0.00 0.00 176.83 178.26 1bkd n ALA 66 N -2.33 2.06 0.84 5.18 0.00 -1.26 -2.12 120.51 122.88 1bkd n ALA 66 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1bkd n ALA 66 Cb 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1bkd n ALA 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1bkd n MET 67 N -0.99 1.49 -0.08 0.00 0.00 -0.73 -4.55 117.12 112.25 1bkd n MET 67 Ca 0.11 -0.94 -0.10 0.00 0.00 0.00 0.00 57.70 56.78 1bkd n MET 67 Cb 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 33.22 31.88 1bkd n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1bkd h ARG 68 N 2.19 0.39 -0.42 2.12 2.43 -1.51 -2.37 114.38 117.21 1bkd h ARG 68 Ca 0.00 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1bkd h ARG 68 Cb 0.65 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1bkd h ARG 68 CO 0.00 0.36 0.17 -0.44 -1.51 0.00 0.00 179.97 178.55 1bkd h ASP 69 N 0.33 0.22 0.21 -3.80 3.32 -1.81 0.17 116.42 115.05 1bkd h ASP 69 Ca 0.10 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1bkd h ASP 69 Cb 0.08 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1bkd h ASP 69 CO -0.01 0.16 -0.33 -0.61 -1.72 0.00 0.00 179.24 176.72 1bkd h GLN 70 N 0.36 -0.59 -0.59 3.56 4.15 -1.81 -0.75 115.11 119.44 1bkd h GLN 70 Ca 0.19 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.68 1bkd h GLN 70 Cb 0.14 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1bkd h GLN 70 CO -0.17 -0.40 0.36 1.88 -1.93 0.00 0.00 178.83 178.58 1bkd h TYR 71 N -0.62 0.67 -0.26 3.99 0.05 -1.12 -2.75 116.97 116.94 1bkd h TYR 71 Ca 0.01 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1bkd h TYR 71 Cb 0.61 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1bkd h TYR 71 CO -0.26 0.39 -0.02 0.52 -1.05 0.00 0.00 178.16 177.74 1bkd h MET 72 N 0.71 0.39 -0.33 4.88 2.86 -0.33 -2.69 114.93 120.42 1bkd h MET 72 Ca 0.24 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1bkd h MET 72 Cb 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1bkd h MET 72 CO -0.10 0.44 0.22 -0.09 1.06 0.00 0.00 176.91 178.44 1bkd h ARG 73 N 0.38 0.42 0.00 1.72 2.43 -0.82 -2.80 114.38 115.72 1bkd h ARG 73 Ca 0.09 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1bkd h ARG 73 Cb 0.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1bkd h ARG 73 CO 0.01 0.28 -0.06 1.79 -1.51 0.00 0.00 179.97 180.47 1bkd h THR 74 N 0.44 0.58 -2.35 0.20 1.35 -1.52 -3.45 112.91 108.16 1bkd h THR 74 Ca 0.12 -0.28 -0.46 0.00 -0.55 0.00 0.00 66.41 65.25 1bkd h THR 74 Cb -0.03 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1bkd h THR 74 CO -0.03 0.06 -0.27 -0.83 -0.25 0.00 0.00 175.52 174.20 1bkd s GLY 75 N -4.15 1.43 0.00 5.82 0.00 -1.06 -4.93 107.32 104.43 1bkd s GLY 75 Ca -0.04 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.56 1bkd s GLY 75 CO 0.57 -1.11 0.64 -1.84 0.00 0.00 0.00 173.10 171.37 1bkd n GLU 76 N -1.71 0.22 -3.68 2.90 0.28 -0.29 -5.00 120.64 113.35 1bkd n GLU 76 Ca -0.03 -0.77 -0.14 0.00 -0.16 0.00 0.00 57.16 56.06 1bkd n GLU 76 Cb 0.57 -1.08 -0.08 0.00 1.43 0.00 0.00 31.44 32.28 1bkd n GLU 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1bkd s GLY 77 N -0.55 -0.37 0.06 -1.84 0.00 -1.16 -4.37 107.32 99.09 1bkd s GLY 77 Ca 0.06 1.19 0.06 0.00 0.00 0.00 0.00 44.72 46.03 1bkd s GLY 77 CO 0.08 0.97 -0.17 -1.36 0.00 0.00 0.00 173.10 172.62 1bkd s PHE 78 N -0.30 1.44 -0.35 1.90 0.40 0.01 -1.84 117.98 119.24 1bkd s PHE 78 Ca -0.05 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1bkd s PHE 78 Cb -0.03 -0.83 0.08 0.00 0.51 0.00 0.00 43.02 42.75 1bkd s PHE 78 CO 0.03 0.08 0.08 -0.51 0.70 0.00 0.00 175.22 175.60 1bkd s LEU 79 N -1.41 4.54 -0.55 -0.37 1.02 -0.45 -1.05 118.68 120.42 1bkd s LEU 79 Ca 0.03 -1.70 -0.24 0.00 0.02 0.00 0.00 54.13 52.23 1bkd s LEU 79 Cb -0.09 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.42 1bkd s LEU 79 CO 0.02 -0.39 0.94 0.00 0.02 0.00 0.00 176.35 176.94 1bkd s VAL 81 N 3.92 4.88 0.08 0.00 1.01 0.84 -1.03 120.40 130.11 1bkd s VAL 81 Ca 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1bkd s VAL 81 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1bkd s VAL 81 CO 0.19 0.57 -0.05 0.72 0.00 0.00 0.00 175.10 176.53 1bkd s PHE 82 N -0.55 0.77 -0.21 5.22 -0.12 -0.82 -3.98 117.98 118.29 1bkd s PHE 82 Ca 0.11 -0.98 -0.12 0.00 -0.05 0.00 0.00 56.93 55.89 1bkd s PHE 82 Cb -0.12 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.75 1bkd s PHE 82 CO 0.02 -0.24 0.23 0.00 -0.05 0.00 0.00 175.22 175.19 1bkd s ALA 83 N -3.73 3.61 0.03 1.99 0.00 -1.26 -1.34 121.76 121.06 1bkd s ALA 83 Ca 0.11 -0.70 0.25 0.00 0.00 0.00 0.00 51.96 51.62 1bkd s ALA 83 Cb 0.06 -2.38 1.37 0.00 0.00 0.00 0.00 23.12 22.17 1bkd s ALA 83 CO -0.06 -0.11 1.76 0.82 0.00 0.00 0.00 175.76 178.16 1bkd h ILE 84 N 4.91 0.00 -0.23 0.00 2.04 -1.50 -0.70 117.51 122.03 1bkd h ILE 84 Ca -0.39 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1bkd h ILE 84 Cb 1.16 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1bkd h ILE 84 CO 0.71 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 178.40 1bkd n ASN 85 N -2.41 2.66 -3.80 1.72 6.94 -1.26 -1.11 115.26 118.00 1bkd n ASN 85 Ca -0.02 -1.79 -0.30 0.00 -0.02 0.00 0.00 54.58 52.45 1bkd n ASN 85 Cb 0.10 -0.14 -0.15 0.00 -2.36 0.00 0.00 39.78 37.22 1bkd n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1bkd s ASN 86 N -1.08 4.17 0.31 0.53 3.84 -0.27 -4.63 114.94 117.81 1bkd s ASN 86 Ca 0.23 -1.73 0.00 0.00 0.21 0.00 0.00 52.86 51.57 1bkd s ASN 86 Cb 0.13 -1.03 0.53 0.00 -0.55 0.00 0.00 41.25 40.34 1bkd s ASN 86 CO 0.19 -0.40 1.95 0.74 -2.79 0.00 0.00 177.10 176.78 1bkd h THR 87 N 6.52 1.13 -0.24 -5.21 2.02 -1.88 -2.11 112.91 113.13 1bkd h THR 87 Ca -0.12 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1bkd h THR 87 Cb 1.02 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1bkd h THR 87 CO 0.48 0.18 -0.04 0.50 0.37 0.00 0.00 175.52 177.02 1bkd h LYS 88 N 1.01 0.37 0.00 6.66 3.11 -1.95 0.72 116.57 126.50 1bkd h LYS 88 Ca 0.33 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 58.07 1bkd h LYS 88 Cb 0.05 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1bkd h LYS 88 CO -0.10 0.43 -0.15 0.66 -2.81 0.00 0.00 179.45 177.48 1bkd h SER 89 N 0.35 0.00 0.02 4.20 4.64 -1.71 -1.82 113.55 119.24 1bkd h SER 89 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1bkd h SER 89 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1bkd h SER 89 CO 0.01 0.15 -0.16 0.15 -0.87 0.00 0.00 176.83 176.10 1bkd h PHE 90 N 0.00 0.12 0.00 4.77 3.57 -0.85 -3.29 116.94 121.26 1bkd h PHE 90 Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1bkd h PHE 90 Cb 0.63 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1bkd h PHE 90 CO 0.00 1.03 0.00 0.93 -2.23 0.00 0.00 178.31 178.04 1bkd h GLU 91 N -0.83 0.00 0.00 1.11 5.08 -0.79 -1.75 114.58 117.40 1bkd h GLU 91 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1bkd h GLU 91 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1bkd h GLU 91 CO 0.03 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.60 1bkd h ASP 92 N 0.00 0.00 -0.31 1.42 5.19 -1.40 -3.33 116.42 117.99 1bkd h ASP 92 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1bkd h ASP 92 Cb 0.19 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 1bkd h ASP 92 CO 0.00 0.00 -0.01 0.40 -3.12 0.00 0.00 179.24 176.51 1bkd h ILE 93 N 0.00 0.76 -0.73 0.35 1.08 -1.42 -2.88 117.51 114.68 1bkd h ILE 93 Ca 0.00 -0.03 0.16 0.00 -0.39 0.00 0.00 64.86 64.60 1bkd h ILE 93 Cb 0.72 0.68 -0.11 0.00 -3.07 0.00 0.00 36.82 35.04 1bkd h ILE 93 CO 0.00 0.01 0.17 -0.74 -0.69 0.00 0.00 178.15 176.90 1bkd h HIS 94 N 0.08 0.26 -0.28 1.37 2.76 -1.78 -1.06 115.15 116.50 1bkd h HIS 94 Ca 0.15 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 1bkd h HIS 94 Cb 0.21 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1bkd h HIS 94 CO -0.24 -0.09 -0.35 0.37 -1.30 0.00 0.00 177.93 176.33 1bkd h GLN 95 N 0.26 0.63 -0.32 5.26 5.75 -1.76 -2.33 115.11 122.60 1bkd h GLN 95 Ca 0.41 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1bkd h GLN 95 Cb 0.69 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1bkd h GLN 95 CO -0.51 0.89 0.17 1.88 -2.65 0.00 0.00 178.83 178.61 1bkd h TYR 96 N 0.53 0.44 -0.59 3.99 0.05 -1.05 -1.67 116.97 118.67 1bkd h TYR 96 Ca 0.06 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1bkd h TYR 96 Cb 0.85 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 1bkd h TYR 96 CO 0.04 0.36 0.36 -0.09 -1.05 0.00 0.00 178.16 177.78 1bkd h ARG 97 N 0.39 0.69 -0.08 4.88 2.43 -1.12 0.36 114.38 121.93 1bkd h ARG 97 Ca 0.11 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1bkd h ARG 97 Cb 0.07 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1bkd h ARG 97 CO -0.02 0.46 0.05 0.93 -1.51 0.00 0.00 179.97 179.88 1bkd h GLU 98 N 0.71 0.05 0.02 0.20 4.39 -1.11 -0.19 114.58 118.66 1bkd h GLU 98 Ca 0.23 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.72 1bkd h GLU 98 Cb 0.01 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1bkd h GLU 98 CO -0.10 0.03 -0.84 0.37 -1.16 0.00 0.00 179.01 177.31 1bkd h GLN 99 N 0.05 0.53 -0.25 2.33 4.15 -0.10 -2.50 115.11 119.33 1bkd h GLN 99 Ca 0.03 -0.60 -0.01 0.00 0.77 0.00 0.00 58.65 58.84 1bkd h GLN 99 Cb 0.07 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1bkd h GLN 99 CO -0.00 1.22 0.13 0.82 -1.93 0.00 0.00 178.83 179.07 1bkd h ILE 100 N 0.10 1.13 -0.71 2.39 2.04 -0.27 -1.72 117.51 120.46 1bkd h ILE 100 Ca -0.11 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1bkd h ILE 100 Cb 1.54 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1bkd h ILE 100 CO 0.16 0.13 0.40 0.11 0.00 0.00 0.00 178.15 178.95 1bkd h LYS 101 N 0.28 0.70 -0.52 2.37 1.57 -1.12 -2.06 116.57 117.80 1bkd h LYS 101 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1bkd h LYS 101 Cb 0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1bkd h LYS 101 CO -0.01 0.47 0.06 -0.09 -0.57 0.00 0.00 179.45 179.31 1bkd h ARG 102 N 0.72 0.87 -0.11 3.15 2.43 -1.21 -1.73 114.38 118.51 1bkd h ARG 102 Ca 0.32 -0.25 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1bkd h ARG 102 Cb 0.21 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1bkd h ARG 102 CO -0.19 0.87 -0.62 -0.39 -1.51 0.00 0.00 179.97 178.12 1bkd h VAL 103 N 0.75 1.36 -0.28 0.20 -1.51 -0.88 -2.83 116.25 113.06 1bkd h VAL 103 Ca 0.15 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 1bkd h VAL 103 Cb 0.43 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1bkd h VAL 103 CO 0.01 0.59 0.00 0.29 -1.23 0.00 0.00 177.57 177.24 1bkd n LYS 104 N -3.90 1.93 -4.01 5.19 4.76 -0.82 -4.96 118.16 116.36 1bkd n LYS 104 Ca -0.03 -1.41 -0.43 0.00 -2.87 0.00 0.00 58.31 53.56 1bkd n LYS 104 Cb 0.64 -1.39 0.02 0.00 -1.84 0.00 0.00 35.03 32.46 1bkd n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1bkd n ASP 105 N 0.64 -4.33 -3.62 4.39 2.03 -0.70 -4.97 116.55 109.98 1bkd n ASP 105 Ca 0.16 -1.24 -0.12 0.00 0.52 0.00 0.00 54.79 54.12 1bkd n ASP 105 Cb 0.38 -1.79 -0.07 0.00 -0.72 0.00 0.00 41.12 38.92 1bkd n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1bkd s SER 106 N -3.45 -0.56 0.26 1.67 0.15 -0.89 -5.04 113.70 105.84 1bkd s SER 106 Ca 0.43 1.01 0.24 0.00 0.70 0.00 0.00 55.95 58.34 1bkd s SER 106 Cb -0.23 1.00 0.49 0.00 -1.71 0.00 0.00 66.02 65.57 1bkd s SER 106 CO 0.96 -0.23 1.56 0.44 1.20 0.00 0.00 173.24 177.16 1bkd h ASP 107 N 4.23 0.00 -3.39 5.45 3.32 -1.93 -3.41 116.42 120.69 1bkd h ASP 107 Ca -0.27 -0.04 -0.61 0.00 0.02 0.00 0.00 57.03 56.13 1bkd h ASP 107 Cb 1.17 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1bkd h ASP 107 CO 0.13 0.02 -0.74 1.51 -1.72 0.00 0.00 179.24 178.44 1bkd s ASP 108 N -5.05 4.01 -0.10 6.45 -4.77 -1.26 -5.07 116.67 110.88 1bkd s ASP 108 Ca 0.07 -2.11 -0.01 0.00 -3.30 0.00 0.00 52.55 47.20 1bkd s ASP 108 Cb 0.10 -1.06 -0.03 0.00 -1.09 0.00 0.00 42.92 40.84 1bkd s ASP 108 CO 0.66 -0.35 -0.05 -0.69 0.70 0.00 0.00 175.17 175.44 1bkd s VAL 109 N 1.00 3.84 -0.25 2.11 1.01 -1.26 -5.05 120.40 121.80 1bkd s VAL 109 Ca 0.13 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1bkd s VAL 109 Cb -0.20 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1bkd s VAL 109 CO -0.13 0.57 2.18 -2.84 0.00 0.00 0.00 175.10 174.88 1bkd s PRO 110 N -0.43 3.08 0.11 2.72 0.02 -1.26 -4.92 135.00 134.33 1bkd s PRO 110 Ca 0.07 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 62.91 1bkd s PRO 110 Cb -0.12 -4.37 -0.00 0.00 0.02 0.00 0.00 34.50 30.03 1bkd s PRO 110 CO 0.02 -2.16 0.22 0.00 -0.33 0.00 0.00 177.00 174.76 1bkd s MET 111 N 6.40 0.94 0.01 5.54 0.23 -1.26 -0.81 119.30 130.34 1bkd s MET 111 Ca 0.98 -1.01 0.00 0.00 -1.03 0.00 0.00 55.69 54.64 1bkd s MET 111 Cb -0.31 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.34 1bkd s MET 111 CO 0.34 -0.31 -0.03 0.54 -2.03 0.00 0.00 175.02 173.53 1bkd s VAL 112 N -3.89 0.13 -0.31 5.16 0.11 -0.22 -4.50 120.40 116.89 1bkd s VAL 112 Ca 0.08 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.44 1bkd s VAL 112 Cb 0.04 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1bkd s VAL 112 CO -0.08 -0.27 0.27 -0.22 -3.33 0.00 0.00 175.10 171.46 1bkd s LEU 113 N -0.87 4.28 -0.18 2.54 2.96 -0.66 -1.19 118.68 125.56 1bkd s LEU 113 Ca -0.09 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1bkd s LEU 113 Cb -0.06 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1bkd s LEU 113 CO -0.00 -0.19 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 1bkd s VAL 114 N 1.84 3.39 -0.33 1.68 1.01 -0.19 -1.10 120.40 126.70 1bkd s VAL 114 Ca 0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1bkd s VAL 114 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1bkd s VAL 114 CO 0.11 0.47 0.11 -0.83 0.00 0.00 0.00 175.10 174.96 1bkd s GLY 115 N 0.86 1.83 0.02 4.51 0.00 -0.50 -1.94 107.32 112.10 1bkd s GLY 115 Ca -0.02 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.93 1bkd s GLY 115 CO 0.01 0.73 0.47 0.21 0.00 0.00 0.00 173.10 174.52 1bkd s ASN 116 N 1.47 6.90 -0.08 1.64 2.47 -0.45 -1.22 114.94 125.68 1bkd s ASN 116 Ca 0.01 1.07 0.03 0.00 0.42 0.00 0.00 52.86 54.38 1bkd s ASN 116 Cb -0.18 -2.29 -0.02 0.00 -1.45 0.00 0.00 41.25 37.30 1bkd s ASN 116 CO 0.03 0.29 -0.16 -0.75 -3.72 0.00 0.00 177.10 172.80 1bkd s LYS 117 N -1.01 2.82 -0.24 0.43 2.20 0.33 -1.26 119.74 123.01 1bkd s LYS 117 Ca 0.26 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1bkd s LYS 117 Cb -0.18 -2.43 0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1bkd s LYS 117 CO 0.15 0.44 -0.08 0.00 -0.36 0.00 0.00 175.35 175.50 1bkd h ASP 119 N 7.99 0.00 0.64 0.00 1.82 -1.99 -3.10 116.42 121.79 1bkd h ASP 119 Ca -0.34 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.27 1bkd h ASP 119 Cb 1.11 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.12 1bkd h ASP 119 CO 0.57 0.00 -0.31 -0.07 -1.61 0.00 0.00 179.24 177.83 1bkd h LEU 120 N 0.00 -0.73-10.76 2.28 3.38 -2.06 -3.47 115.31 103.96 1bkd h LEU 120 Ca 0.00 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.51 1bkd h LEU 120 Cb 0.40 0.19 0.10 0.00 0.09 0.00 0.00 40.66 41.44 1bkd h LEU 120 CO 0.00 -0.34 0.16 0.00 0.09 0.00 0.00 178.44 178.35 1bkd s ALA 121 N -4.80 3.52 0.08 1.53 0.00 -1.17 -5.10 121.76 115.82 1bkd s ALA 121 Ca -0.13 -1.77 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 1bkd s ALA 121 Cb 0.01 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 1bkd s ALA 121 CO 0.40 -1.70 0.44 0.00 0.00 0.00 0.00 175.76 174.91 1bkd s ALA 122 N -3.29 3.68 0.15 0.00 0.00 -1.26 -4.92 121.76 116.12 1bkd s ALA 122 Ca 0.69 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 1bkd s ALA 122 Cb -0.04 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 1bkd s ALA 122 CO 0.46 0.52 1.42 0.50 0.00 0.00 0.00 175.76 178.66 1bkd s ARG 123 N -1.76 4.31 0.00 0.00 3.52 -1.26 -4.44 118.95 119.32 1bkd s ARG 123 Ca 0.32 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 1bkd s ARG 123 Cb -0.15 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1bkd s ARG 123 CO 0.17 -0.44 0.32 0.25 -0.81 0.00 0.00 175.30 174.79 1bkd n THR 124 N 3.62 0.00 -3.92 4.11 -2.24 -0.26 -4.93 114.28 110.66 1bkd n THR 124 Ca 0.11 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1bkd n THR 124 Cb 0.41 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 1bkd n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1bkd s VAL 125 N -0.19 1.47 0.50 2.28 1.01 -0.98 -4.82 120.40 119.67 1bkd s VAL 125 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 1bkd s VAL 125 Cb 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1bkd s VAL 125 CO 0.00 -0.19 1.05 -1.61 0.00 0.00 0.00 175.10 174.35 1bkd s GLU 126 N 1.41 3.72 0.27 2.72 0.41 -1.26 -4.93 118.70 121.03 1bkd s GLU 126 Ca -0.03 1.38 -0.00 0.00 -0.41 0.00 0.00 54.97 55.90 1bkd s GLU 126 Cb -0.19 -2.08 0.57 0.00 -1.78 0.00 0.00 34.13 30.65 1bkd s GLU 126 CO -0.08 -0.51 1.74 0.66 -0.49 0.00 0.00 175.26 176.59 1bkd h SER 127 N 1.43 0.44 -0.31 -0.19 4.64 -1.99 -2.41 113.55 115.15 1bkd h SER 127 Ca -0.49 0.11 0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1bkd h SER 127 Cb 1.22 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1bkd h SER 127 CO 0.59 0.14 0.09 -0.09 -0.87 0.00 0.00 176.83 176.69 1bkd h ARG 128 N 0.54 0.21 0.00 4.77 9.65 -1.98 0.41 114.38 127.97 1bkd h ARG 128 Ca 0.48 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.30 1bkd h ARG 128 Cb 0.75 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1bkd h ARG 128 CO -0.41 0.14 -0.21 -0.56 2.80 0.00 0.00 179.97 181.72 1bkd h GLN 129 N 0.21 0.00 0.00 0.20 3.07 -1.82 0.42 115.11 117.19 1bkd h GLN 129 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.67 1bkd h GLN 129 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.66 1bkd h GLN 129 CO -0.16 0.21 -1.02 0.00 0.09 0.00 0.00 178.83 177.95 1bkd h ALA 130 N 1.79 0.41 -0.10 0.06 0.00 -1.22 -2.34 119.26 117.87 1bkd h ALA 130 Ca -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 1bkd h ALA 130 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bkd h ALA 130 CO 0.03 1.22 -0.06 0.37 0.00 0.00 0.00 179.25 180.81 1bkd h GLN 131 N 0.00 0.21 -0.82 0.00 5.75 0.84 -2.02 115.11 119.08 1bkd h GLN 131 Ca -0.03 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1bkd h GLN 131 Cb 1.76 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.26 1bkd h GLN 131 CO 0.12 0.59 0.54 -0.44 -2.65 0.00 0.00 178.83 176.98 1bkd h ASP 132 N -0.16 0.95 -0.47 -0.69 3.32 -0.21 -1.87 116.42 117.30 1bkd h ASP 132 Ca 0.02 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1bkd h ASP 132 Cb 0.53 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1bkd h ASP 132 CO 0.02 0.70 0.05 0.25 -1.72 0.00 0.00 179.24 178.54 1bkd h LEU 133 N 1.12 0.81 -0.62 1.55 5.85 -1.39 -1.69 115.31 120.94 1bkd h LEU 133 Ca 0.30 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1bkd h LEU 133 Cb -0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1bkd h LEU 133 CO -0.06 0.84 -0.12 0.00 -0.34 0.00 0.00 178.44 178.77 1bkd h ALA 134 N 1.25 0.82 -0.03 1.25 0.00 -0.79 -2.84 119.26 118.93 1bkd h ALA 134 Ca 0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1bkd h ALA 134 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bkd h ALA 134 CO 0.01 0.66 -0.48 -0.09 0.00 0.00 0.00 179.25 179.35 1bkd h ARG 135 N 0.86 0.07 0.00 0.00 2.43 -1.04 -0.31 114.38 116.40 1bkd h ARG 135 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1bkd h ARG 135 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1bkd h ARG 135 CO 0.05 0.54 -0.06 0.66 -1.51 0.00 0.00 179.97 179.64 1bkd h SER 136 N 0.06 0.00 0.16 -3.80 4.64 -1.09 -2.47 113.55 111.05 1bkd h SER 136 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bkd h SER 136 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1bkd h SER 136 CO 0.07 0.06 -1.11 -1.22 -0.87 0.00 0.00 176.83 173.76 1bkd n TYR 137 N -3.18 0.06 -2.97 4.77 4.01 -0.95 -4.98 117.16 113.93 1bkd n TYR 137 Ca 0.01 0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 1bkd n TYR 137 Cb 0.36 -0.21 0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1bkd n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bkd n GLY 138 N 1.43 0.18 3.17 2.72 0.00 -0.23 -5.04 105.19 107.42 1bkd n GLY 138 Ca 0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1bkd n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bkd s ILE 139 N -3.10 0.76 0.60 -0.61 -4.36 -0.58 -5.03 121.20 108.89 1bkd s ILE 139 Ca 0.27 -1.79 -0.16 0.00 -0.26 0.00 0.00 60.65 58.70 1bkd s ILE 139 Cb -0.12 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1bkd s ILE 139 CO 0.33 -0.75 1.09 -2.84 0.24 0.00 0.00 174.94 173.02 1bkd s PRO 140 N -3.37 3.14 -0.07 0.37 0.02 -1.26 -4.21 135.00 129.62 1bkd s PRO 140 Ca 0.08 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.54 1bkd s PRO 140 Cb 0.02 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1bkd s PRO 140 CO -0.03 -0.98 -0.22 -0.47 -0.33 0.00 0.00 177.00 174.97 1bkd s TYR 141 N -2.23 2.52 -0.07 6.54 5.04 -1.26 -1.65 117.35 126.24 1bkd s TYR 141 Ca 0.67 -0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 54.62 1bkd s TYR 141 Cb -0.20 -1.64 0.03 0.00 0.35 0.00 0.00 41.96 40.51 1bkd s TYR 141 CO 0.36 -0.18 0.03 0.42 -1.34 0.00 0.00 175.55 174.84 1bkd s ILE 142 N -0.15 0.17 0.13 3.14 1.01 -0.26 -4.99 121.20 120.25 1bkd s ILE 142 Ca -0.03 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 1bkd s ILE 142 Cb -0.14 -0.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.85 1bkd s ILE 142 CO 0.04 0.17 0.54 -1.61 0.00 0.00 0.00 174.94 174.08 1bkd s GLU 143 N 2.05 3.99 0.04 2.79 2.02 -1.26 -1.41 118.70 126.91 1bkd s GLU 143 Ca 0.04 0.49 -0.01 0.00 0.02 0.00 0.00 54.97 55.52 1bkd s GLU 143 Cb -0.13 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1bkd s GLU 143 CO -0.05 0.51 -0.03 0.95 0.02 0.00 0.00 175.26 176.66 1bkd s THR 144 N -1.41 0.18 -0.11 3.63 -4.23 -0.35 -4.53 115.64 108.82 1bkd s THR 144 Ca 0.36 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1bkd s THR 144 Cb -0.15 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1bkd s THR 144 CO 0.19 -0.83 -0.08 -0.55 -0.54 0.00 0.00 174.62 172.81 1bkd s SER 145 N -2.43 4.51 0.26 3.99 0.15 -0.12 -0.51 113.70 119.55 1bkd s SER 145 Ca -0.01 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 56.74 1bkd s SER 145 Cb 0.02 -1.46 0.41 0.00 -1.71 0.00 0.00 66.02 63.28 1bkd s SER 145 CO -0.07 0.25 1.49 0.00 1.20 0.00 0.00 173.24 176.11 1bkd h ALA 146 N 6.09 0.82 0.00 5.45 0.00 -1.59 -3.01 119.26 127.02 1bkd h ALA 146 Ca -0.37 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 1bkd h ALA 146 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1bkd h ALA 146 CO 0.57 0.00 -1.77 1.17 0.00 0.00 0.00 179.25 179.21 1bkd n LYS 147 N -2.57 0.64 0.00 0.00 4.81 -1.26 -4.54 118.16 115.24 1bkd n LYS 147 Ca 0.04 0.12 0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1bkd n LYS 147 Cb 0.49 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1bkd n LYS 147 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1bkd n THR 148 N -2.79 0.00 -0.84 3.15 -2.24 -1.26 -4.99 114.28 105.30 1bkd n THR 148 Ca -0.16 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1bkd n THR 148 Cb 0.91 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 1bkd n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bkd n ARG 149 N -0.26 -0.60 -2.00 -0.78 0.63 -1.14 -4.96 116.66 107.56 1bkd n ARG 149 Ca 0.01 0.15 -0.42 0.00 -0.92 0.00 0.00 57.85 56.67 1bkd n ARG 149 Cb 0.05 -3.97 -0.03 0.00 0.45 0.00 0.00 32.46 28.97 1bkd n ARG 149 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1bkd s GLN 150 N -0.91 4.24 0.00 -0.14 -0.21 -1.26 -2.89 119.66 118.49 1bkd s GLN 150 Ca 0.00 2.28 0.00 0.00 0.02 0.00 0.00 55.36 57.66 1bkd s GLN 150 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1bkd s GLN 150 CO 0.00 -0.59 0.00 0.41 -2.12 0.00 0.00 175.29 172.99 1bkd n GLY 151 N 3.73 3.19 0.24 3.09 0.00 -1.26 -0.94 105.19 113.23 1bkd n GLY 151 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1bkd n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bkd h VAL 152 N 0.00 0.48 0.79 1.61 2.07 -1.83 -1.23 116.25 118.13 1bkd h VAL 152 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1bkd h VAL 152 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1bkd h VAL 152 CO 0.00 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.84 1bkd h GLU 153 N -0.21 -1.07 -0.96 1.57 5.08 -1.92 -2.72 114.58 114.33 1bkd h GLU 153 Ca 0.13 0.07 0.29 0.00 -1.00 0.00 0.00 59.36 58.85 1bkd h GLU 153 Cb 0.40 0.24 -0.17 0.00 0.50 0.00 0.00 28.75 29.72 1bkd h GLU 153 CO -0.33 -0.72 0.16 0.22 -1.00 0.00 0.00 179.01 177.34 1bkd h ASP 154 N -1.11 -0.24 0.46 1.42 3.58 -1.92 0.27 116.42 118.87 1bkd h ASP 154 Ca -0.11 0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1bkd h ASP 154 Cb 0.87 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 1bkd h ASP 154 CO 0.15 -0.33 -0.40 0.00 -2.88 0.00 0.00 179.24 175.77 1bkd h ALA 155 N 1.94 -0.92 -0.12 -0.78 0.00 -0.93 0.86 119.26 119.32 1bkd h ALA 155 Ca 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1bkd h ALA 155 Cb 1.38 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1bkd h ALA 155 CO -0.84 -1.05 -0.01 0.74 0.00 0.00 0.00 179.25 178.09 1bkd h PHE 156 N -0.86 0.23 -0.88 0.00 0.04 -0.58 -2.77 116.94 112.12 1bkd h PHE 156 Ca -0.04 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.71 1bkd h PHE 156 Cb 0.75 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.79 1bkd h PHE 156 CO -0.20 0.48 0.58 1.88 -0.60 0.00 0.00 178.31 180.45 1bkd h TYR 157 N -0.08 1.07 -0.55 -0.55 -1.99 -0.57 -1.71 116.97 112.58 1bkd h TYR 157 Ca 0.03 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.80 1bkd h TYR 157 Cb 0.39 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1bkd h TYR 157 CO 0.04 0.62 0.36 1.15 -0.00 0.00 0.00 178.16 180.34 1bkd h THR 158 N 1.11 1.13 -0.94 -2.88 2.02 -0.75 -1.51 112.91 111.09 1bkd h THR 158 Ca 0.35 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1bkd h THR 158 Cb 0.01 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1bkd h THR 158 CO -0.10 0.14 0.61 0.25 0.37 0.00 0.00 175.52 176.78 1bkd h LEU 159 N 0.74 1.09 -0.31 2.58 5.85 -1.04 -1.28 115.31 122.95 1bkd h LEU 159 Ca 0.21 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1bkd h LEU 159 Cb -0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1bkd h LEU 159 CO -0.05 0.80 0.18 0.58 -0.34 0.00 0.00 178.44 179.61 1bkd h VAL 160 N 1.28 1.04 -0.90 1.05 2.07 -0.80 -1.69 116.25 118.30 1bkd h VAL 160 Ca 0.34 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1bkd h VAL 160 Cb -0.13 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1bkd h VAL 160 CO -0.07 0.07 0.59 0.03 0.02 0.00 0.00 177.57 178.21 1bkd h ARG 161 N 0.37 1.09 -0.17 1.57 3.08 -0.72 -0.38 114.38 119.22 1bkd h ARG 161 Ca 0.12 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1bkd h ARG 161 Cb -0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1bkd h ARG 161 CO -0.05 0.72 -0.03 0.93 -1.07 0.00 0.00 179.97 180.47 1bkd h GLU 162 N 1.12 0.25 -0.02 0.04 4.39 -0.38 -0.63 114.58 119.35 1bkd h GLU 162 Ca 0.36 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.96 1bkd h GLU 162 Cb 0.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bkd h GLU 162 CO -0.11 0.31 -0.23 0.82 -1.16 0.00 0.00 179.01 178.63 1bkd h ILE 163 N 0.25 1.50 -0.22 3.13 2.04 -0.34 -3.24 117.51 120.62 1bkd h ILE 163 Ca 0.06 -1.81 0.01 0.00 1.00 0.00 0.00 64.86 64.12 1bkd h ILE 163 Cb 0.22 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1bkd h ILE 163 CO 0.01 0.50 0.11 0.03 0.00 0.00 0.00 178.15 178.80 1bkd h ARG 164 N -0.42 0.23 -0.93 2.37 3.08 -0.95 -2.15 114.38 115.61 1bkd h ARG 164 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1bkd h ARG 164 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1bkd h ARG 164 CO 0.05 0.15 0.00 1.04 -1.07 0.00 0.00 179.97 180.14 1bkd n GLN 165 N -4.99 0.86 0.00 0.04 6.02 -0.27 -5.11 117.38 113.93 1bkd n GLN 165 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1bkd n GLN 165 Cb 0.06 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1bkd n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63