#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbh s ARG 1 N 0.00 0.36 -0.06 2.12 3.52 -1.26 -5.12 118.95 118.51 1pbh s ARG 1 Ca 0.00 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 1pbh s ARG 1 Cb 0.00 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1pbh s ARG 1 CO 0.00 -0.47 1.62 -1.12 -0.81 0.00 0.00 175.30 174.53 1pbh s SER 2 N 1.29 6.69 -0.55 -2.12 0.01 -1.26 -4.96 113.70 112.80 1pbh s SER 2 Ca 0.21 2.20 -0.18 0.00 1.31 0.00 0.00 55.95 59.49 1pbh s SER 2 Cb 0.07 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.86 1pbh s SER 2 CO -0.11 -0.91 0.64 -0.13 0.41 0.00 0.00 173.24 173.14 1pbh s ARG 3 N 3.94 3.06 0.08 12.44 0.52 -1.26 -5.06 118.95 132.67 1pbh s ARG 3 Ca 0.72 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.48 1pbh s ARG 3 Cb -0.33 -4.21 -0.07 0.00 0.52 0.00 0.00 34.95 30.86 1pbh s ARG 3 CO 0.29 -1.39 0.63 -1.25 0.02 0.00 0.00 175.30 173.59 1pbh s PRO 4 N 2.48 4.32 0.00 3.54 0.04 -1.26 -4.99 135.00 139.13 1pbh s PRO 4 Ca 0.11 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1pbh s PRO 4 Cb -0.23 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1pbh s PRO 4 CO 0.08 0.57 0.00 0.43 0.04 0.00 0.00 177.00 178.12 1pbh n SER 5 N 1.86 0.00 0.00 6.66 7.64 -1.26 -5.05 113.62 123.47 1pbh n SER 5 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1pbh n SER 5 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1pbh n SER 5 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1pbh n PHE 6 N 0.00 0.00 -3.21 1.43 -1.74 -1.26 -2.78 117.46 109.89 1pbh n PHE 6 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 1pbh n PHE 6 Cb 0.00 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.01 1pbh n PHE 6 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1pbh n HIS 7 N 0.00 -2.87 0.00 2.97 -0.00 -1.26 -4.66 115.22 109.40 1pbh n HIS 7 Ca 0.00 1.13 0.00 0.00 -0.00 0.00 0.00 57.72 58.85 1pbh n HIS 7 Cb 0.00 -3.62 0.00 0.00 -0.00 0.00 0.00 29.99 26.37 1pbh n HIS 7 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pbh n PRO 8 N -1.51 2.75 -2.68 1.57 -0.04 -1.26 -4.90 135.00 128.92 1pbh n PRO 8 Ca -0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1pbh n PRO 8 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1pbh n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pbh s LEU 9 N 0.00 3.71 0.00 1.53 1.02 -1.26 -5.03 118.68 118.64 1pbh s LEU 9 Ca 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 1pbh s LEU 9 Cb 0.00 -3.10 0.01 0.00 0.02 0.00 0.00 46.19 43.12 1pbh s LEU 9 CO 0.00 -1.35 0.01 -1.54 0.02 0.00 0.00 176.35 173.49 1pbh n SER 10 N 8.00 -1.86 -0.04 2.29 3.41 -1.26 -4.95 113.62 119.20 1pbh n SER 10 Ca 0.07 -0.01 -0.21 0.00 -0.26 0.00 0.00 58.87 58.45 1pbh n SER 10 Cb 0.48 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 1pbh n SER 10 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pbh n ASP 11 N -2.77 2.06 -0.04 4.04 -0.08 -1.26 -4.02 116.55 114.47 1pbh n ASP 11 Ca 0.00 0.17 0.23 0.00 -1.51 0.00 0.00 54.79 53.68 1pbh n ASP 11 Cb 0.01 -0.78 0.72 0.00 2.34 0.00 0.00 41.12 43.40 1pbh n ASP 11 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pbh h GLU 12 N -0.14 0.00 -0.18 -0.67 4.11 -1.97 0.50 114.58 116.23 1pbh h GLU 12 Ca -0.46 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 1pbh h GLU 12 Cb 1.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 1pbh h GLU 12 CO -0.01 0.00 -0.13 1.25 0.07 0.00 0.00 179.01 180.18 1pbh h LEU 13 N 0.00 0.43 0.80 3.06 6.46 -1.93 -0.21 115.31 123.91 1pbh h LEU 13 Ca 0.30 -0.45 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 1pbh h LEU 13 Cb 1.26 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1pbh h LEU 13 CO -0.00 0.79 -0.38 0.58 -0.62 0.00 0.00 178.44 178.80 1pbh h VAL 14 N 0.08 0.00 -0.96 1.05 2.07 -0.35 -1.85 116.25 116.28 1pbh h VAL 14 Ca 0.03 -0.10 0.27 0.00 0.82 0.00 0.00 66.70 67.72 1pbh h VAL 14 Cb 0.65 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 1pbh h VAL 14 CO 0.04 0.00 0.50 0.78 0.02 0.00 0.00 177.57 178.90 1pbh h ASN 15 N -1.17 0.46 0.20 0.57 2.35 -0.53 -1.04 115.58 116.42 1pbh h ASN 15 Ca -0.11 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1pbh h ASN 15 Cb 0.82 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1pbh h ASN 15 CO 0.18 -0.04 -0.10 0.22 -1.65 0.00 0.00 177.43 176.05 1pbh h TYR 16 N 0.41 -0.25 -0.24 1.19 3.20 -0.92 -1.98 116.97 118.38 1pbh h TYR 16 Ca 0.65 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.58 1pbh h TYR 16 Cb 1.33 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 1pbh h TYR 16 CO -0.07 0.06 0.34 0.28 -1.64 0.00 0.00 178.16 177.14 1pbh h VAL 17 N -0.57 0.29 0.00 1.81 2.07 -0.34 -2.12 116.25 117.40 1pbh h VAL 17 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1pbh h VAL 17 Cb 0.42 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pbh h VAL 17 CO 0.04 0.00 -0.42 0.78 0.02 0.00 0.00 177.57 177.99 1pbh h ASN 18 N 0.00 0.00 -0.14 0.57 2.35 -1.21 -3.35 115.58 113.80 1pbh h ASN 18 Ca 0.11 -0.61 0.04 0.00 -0.55 0.00 0.00 56.30 55.29 1pbh h ASN 18 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1pbh h ASN 18 CO -0.00 1.05 0.22 0.11 -1.65 0.00 0.00 177.43 177.16 1pbh h LYS 19 N -1.00 0.00 0.00 0.81 1.57 -0.78 -0.02 116.57 117.15 1pbh h LYS 19 Ca -0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1pbh h LYS 19 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1pbh h LYS 19 CO -0.06 0.00 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.60 1pbh h ARG 20 N 0.00 0.00 -5.48 3.15 9.65 -1.53 -3.49 114.38 116.69 1pbh h ARG 20 Ca 0.07 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.69 1pbh h ARG 20 Cb 0.50 0.00 0.20 0.00 -1.39 0.00 0.00 29.97 29.28 1pbh h ARG 20 CO -0.00 0.13 -0.86 0.09 2.80 0.00 0.00 179.97 182.12 1pbh n ASN 21 N -3.15 -6.51 -2.09 -3.80 3.02 -0.02 -5.05 115.26 97.66 1pbh n ASN 21 Ca 0.03 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1pbh n ASN 21 Cb 0.53 -5.16 0.00 0.00 -0.61 0.00 0.00 39.78 34.54 1pbh n ASN 21 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1pbh n THR 22 N -3.28 0.00 0.47 3.41 5.66 -1.26 -4.94 114.28 114.34 1pbh n THR 22 Ca -0.08 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.95 1pbh n THR 22 Cb 0.62 -1.72 0.14 0.00 -1.55 0.00 0.00 70.33 67.83 1pbh n THR 22 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1pbh n THR 23 N -0.65 0.88 -3.70 1.09 -2.24 -1.26 -4.88 114.28 103.52 1pbh n THR 23 Ca 0.00 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1pbh n THR 23 Cb 0.00 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 1pbh n THR 23 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1pbh s TRP 24 N -1.64 -0.12 -0.05 4.78 1.48 -1.23 0.08 118.94 122.23 1pbh s TRP 24 Ca 0.19 -0.19 0.06 0.00 -1.06 0.00 0.00 56.10 55.10 1pbh s TRP 24 Cb 0.14 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.61 1pbh s TRP 24 CO 0.07 -0.64 -0.23 1.14 -4.06 0.00 0.00 176.95 173.23 1pbh s GLN 25 N -3.60 2.37 0.61 3.25 0.00 -0.56 -4.85 119.66 116.89 1pbh s GLN 25 Ca 0.02 -0.85 0.03 0.00 -0.00 0.00 0.00 55.36 54.56 1pbh s GLN 25 Cb 0.02 -2.03 0.08 0.00 0.00 0.00 0.00 33.01 31.09 1pbh s GLN 25 CO -0.10 0.36 0.85 0.00 0.00 0.00 0.00 175.29 176.40 1pbh s ALA 26 N -0.15 4.07 -0.01 2.60 0.00 -1.26 -1.82 121.76 125.19 1pbh s ALA 26 Ca -0.03 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.06 1pbh s ALA 26 Cb -0.13 -1.86 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1pbh s ALA 26 CO 0.03 -1.03 0.67 0.41 0.00 0.00 0.00 175.76 175.85 1pbh n GLY 27 N -2.48 0.43 3.64 0.00 0.00 -0.57 -4.81 105.19 101.41 1pbh n GLY 27 Ca 0.13 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 1pbh n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pbh s HIS 28 N -2.58 3.31 -0.23 1.61 3.76 -1.26 -4.58 115.29 115.31 1pbh s HIS 28 Ca 0.16 0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 1pbh s HIS 28 Cb -0.00 -2.44 -0.12 0.00 1.11 0.00 0.00 32.58 31.13 1pbh s HIS 28 CO -0.00 -0.05 -0.27 0.09 -0.85 0.00 0.00 174.74 173.65 1pbh n ASN 29 N 4.67 1.86 -4.77 1.40 3.02 -1.26 -4.97 115.26 115.21 1pbh n ASN 29 Ca -0.11 0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 1pbh n ASN 29 Cb 0.51 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 1pbh n ASN 29 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pbh s PHE 30 N -2.44 3.51 -0.02 3.10 0.40 -1.26 -3.84 117.98 117.43 1pbh s PHE 30 Ca -0.32 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1pbh s PHE 30 Cb 0.11 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1pbh s PHE 30 CO 0.45 0.40 -0.08 0.71 0.70 0.00 0.00 175.22 177.40 1pbh s TYR 31 N -0.05 0.82 -1.12 0.36 1.51 0.23 -4.85 117.35 114.25 1pbh s TYR 31 Ca 0.15 -0.19 -0.17 0.00 -1.01 0.00 0.00 57.07 55.86 1pbh s TYR 31 Cb -0.13 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 1pbh s TYR 31 CO 0.04 -0.07 0.83 -1.71 -1.11 0.00 0.00 175.55 173.53 1pbh n ASN 32 N 3.19 -5.62 -4.17 2.29 5.15 -1.26 -4.56 115.26 110.28 1pbh n ASN 32 Ca -0.17 -0.93 -0.21 0.00 -0.60 0.00 0.00 54.58 52.67 1pbh n ASN 32 Cb 0.55 -3.88 -0.13 0.00 -0.53 0.00 0.00 39.78 35.79 1pbh n ASN 32 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1pbh s VAL 33 N -3.45 1.25 -0.01 3.44 -7.23 -1.26 -2.53 120.40 110.62 1pbh s VAL 33 Ca 0.46 -1.09 -0.21 0.00 -1.81 0.00 0.00 61.98 59.34 1pbh s VAL 33 Cb -0.14 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1pbh s VAL 33 CO 0.83 0.03 0.61 -0.62 -0.31 0.00 0.00 175.10 175.64 1pbh s ASP 34 N -1.22 6.98 0.58 4.85 2.15 0.77 -4.61 116.67 126.17 1pbh s ASP 34 Ca 0.03 1.17 0.26 0.00 0.43 0.00 0.00 52.55 54.44 1pbh s ASP 34 Cb -0.08 -2.37 1.40 0.00 -0.30 0.00 0.00 42.92 41.57 1pbh s ASP 34 CO 0.02 0.07 1.77 0.24 -0.17 0.00 0.00 175.17 177.09 1pbh h MET 35 N 5.78 0.00 -0.09 4.34 2.86 -1.79 1.18 114.93 127.22 1pbh h MET 35 Ca -0.45 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.12 1pbh h MET 35 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1pbh h MET 35 CO 0.70 0.00 -0.28 0.77 1.06 0.00 0.00 176.91 179.17 1pbh h SER 36 N 0.00 0.15 0.88 1.22 0.02 -1.85 -2.41 113.55 111.56 1pbh h SER 36 Ca 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1pbh h SER 36 Cb 0.63 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1pbh h SER 36 CO 0.00 0.43 -0.42 0.22 -1.14 0.00 0.00 176.83 175.92 1pbh h TYR 37 N 0.14 -1.09 -0.80 3.45 3.20 0.13 -1.89 116.97 120.11 1pbh h TYR 37 Ca 0.02 -0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1pbh h TYR 37 Cb 0.57 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1pbh h TYR 37 CO 0.01 -0.68 0.57 -0.07 -1.64 0.00 0.00 178.16 176.34 1pbh h LEU 38 N -1.31 0.10 0.01 2.82 4.07 -1.50 -0.92 115.31 118.58 1pbh h LEU 38 Ca -0.12 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 1pbh h LEU 38 Cb 0.91 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1pbh h LEU 38 CO 0.20 0.04 -0.11 0.11 -1.08 0.00 0.00 178.44 177.59 1pbh h LYS 39 N 0.10 0.05 0.00 1.13 1.79 -1.35 -3.21 116.57 115.08 1pbh h LYS 39 Ca 0.39 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.77 1pbh h LYS 39 Cb 1.40 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1pbh h LYS 39 CO -0.04 0.95 -0.05 -0.09 -1.08 0.00 0.00 179.45 179.13 1pbh h ARG 40 N -0.80 0.00 -0.76 3.15 2.43 -0.67 -0.28 114.38 117.44 1pbh h ARG 40 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1pbh h ARG 40 Cb 1.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1pbh h ARG 40 CO 0.02 0.05 0.36 1.25 -1.51 0.00 0.00 179.97 180.14 1pbh h LEU 41 N 0.00 1.01 -7.75 3.80 5.85 -1.20 -2.36 115.31 114.65 1pbh h LEU 41 Ca -0.00 -0.14 -0.74 0.00 0.84 0.00 0.00 57.88 57.84 1pbh h LEU 41 Cb 0.21 -0.26 -0.19 0.00 0.37 0.00 0.00 40.66 40.79 1pbh h LEU 41 CO 0.01 0.86 1.08 0.00 -0.34 0.00 0.00 178.44 180.05 1pbh n GLY 43 N 4.16 5.74 3.00 0.00 0.00 -1.21 -4.39 105.19 112.50 1pbh n GLY 43 Ca 0.32 -2.59 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 1pbh n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbh s THR 44 N -5.08 0.75 0.07 2.61 2.01 0.99 -1.90 115.64 115.09 1pbh s THR 44 Ca 0.49 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 1pbh s THR 44 Cb 0.39 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 72.17 1pbh s THR 44 CO -0.30 0.23 0.48 -0.36 -0.69 0.00 0.00 174.62 173.98 1pbh s PHE 45 N 0.11 3.69 -0.35 4.92 0.08 -1.17 -3.52 117.98 121.74 1pbh s PHE 45 Ca -0.02 1.04 -0.14 0.00 0.12 0.00 0.00 56.93 57.93 1pbh s PHE 45 Cb -0.07 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1pbh s PHE 45 CO 0.00 0.55 0.32 -0.51 -0.10 0.00 0.00 175.22 175.48 1pbh s LEU 46 N -1.47 4.54 0.00 -0.37 1.02 -1.26 -4.79 118.68 116.34 1pbh s LEU 46 Ca 0.30 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1pbh s LEU 46 Cb -0.16 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1pbh s LEU 46 CO 0.17 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.82 1pbh n GLY 47 N 5.03 0.08 0.00 -3.19 0.00 -1.26 -5.09 105.19 100.76 1pbh n GLY 47 Ca -0.10 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1pbh n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pbh n GLY 48 N 0.00 1.66 2.22 -0.02 0.00 -1.26 -4.80 105.19 102.99 1pbh n GLY 48 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1pbh n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pbh n PRO 49 N 0.00 0.96 -1.64 1.61 -0.04 -1.26 -5.09 135.00 129.54 1pbh n PRO 49 Ca 0.00 -3.39 -0.54 0.00 -0.04 0.00 0.00 63.50 59.52 1pbh n PRO 49 Cb 0.00 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.96 1pbh n PRO 49 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1pbh n LYS 50 N 1.02 1.14 -2.80 0.54 3.00 -1.26 -4.80 118.16 115.00 1pbh n LYS 50 Ca 0.23 0.41 -0.42 0.00 -0.00 0.00 0.00 58.31 58.53 1pbh n LYS 50 Cb 0.56 -2.07 -0.03 0.00 0.00 0.00 0.00 35.03 33.48 1pbh n LYS 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1pbh s PRO 51 N 1.63 4.31 0.00 1.64 0.02 -1.26 -4.96 135.00 136.38 1pbh s PRO 51 Ca 0.90 1.17 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1pbh s PRO 51 Cb -1.00 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 29.93 1pbh s PRO 51 CO 0.54 -0.40 0.00 -2.30 -0.33 0.00 0.00 177.00 174.50 1pbh n PRO 52 N 5.48 0.00 -3.29 5.54 -0.02 -1.26 0.15 135.00 141.60 1pbh n PRO 52 Ca 0.07 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1pbh n PRO 52 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.94 1pbh n PRO 52 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pbh s GLN 53 N 0.00 0.53 -0.67 -0.52 -1.52 -1.26 -3.95 119.66 112.27 1pbh s GLN 53 Ca 0.00 1.06 -0.26 0.00 -1.95 0.00 0.00 55.36 54.21 1pbh s GLN 53 Cb 0.00 0.61 -0.03 0.00 -0.22 0.00 0.00 33.01 33.36 1pbh s GLN 53 CO 0.00 -0.46 1.94 0.50 -0.25 0.00 0.00 175.29 177.01 1pbh s ARG 54 N 2.86 2.54 -1.05 2.91 6.06 0.86 -4.82 118.95 128.31 1pbh s ARG 54 Ca 0.12 0.46 -0.25 0.00 -2.50 0.00 0.00 55.73 53.56 1pbh s ARG 54 Cb -0.14 -4.56 -0.15 0.00 0.06 0.00 0.00 34.95 30.16 1pbh s ARG 54 CO -0.20 -2.96 2.09 0.54 -2.50 0.00 0.00 175.30 172.27 1pbh s VAL 55 N 9.69 3.23 -0.10 7.11 0.11 -1.26 -4.56 120.40 134.62 1pbh s VAL 55 Ca 0.71 -0.35 -0.36 0.00 -2.93 0.00 0.00 61.98 59.05 1pbh s VAL 55 Cb -0.12 -4.03 -0.14 0.00 -1.53 0.00 0.00 36.38 30.57 1pbh s VAL 55 CO 0.16 -0.44 1.76 0.23 -3.33 0.00 0.00 175.10 173.48 1pbh n MET 56 N 8.38 1.77 -2.55 1.54 0.00 -1.26 -4.83 117.12 120.17 1pbh n MET 56 Ca 0.43 0.65 -0.41 0.00 0.00 0.00 0.00 57.70 58.36 1pbh n MET 56 Cb 0.46 -2.42 -0.02 0.00 0.00 0.00 0.00 33.22 31.25 1pbh n MET 56 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1pbh s PHE 57 N 3.25 2.62 -0.25 2.03 5.36 -1.26 -4.89 117.98 124.84 1pbh s PHE 57 Ca 0.92 -1.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1pbh s PHE 57 Cb -0.83 -4.70 -0.01 0.00 -0.34 0.00 0.00 43.02 37.14 1pbh s PHE 57 CO 0.54 -1.87 0.01 0.95 -1.46 0.00 0.00 175.22 173.39 1pbh s THR 58 N 4.83 3.71 0.00 0.12 -4.23 -1.26 -4.92 115.64 113.89 1pbh s THR 58 Ca 0.50 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1pbh s THR 58 Cb 0.02 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1pbh s THR 58 CO -0.01 0.31 0.00 1.21 -0.54 0.00 0.00 174.62 175.59 1pbh n GLU 59 N 4.84 0.00 -1.59 3.99 0.00 -1.26 -5.01 120.64 121.61 1pbh n GLU 59 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 56.99 1pbh n GLU 59 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 1pbh n GLU 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1pbh n ASP 60 N 0.00 -2.30 -3.00 4.31 2.03 -1.26 -5.06 116.55 111.27 1pbh n ASP 60 Ca 0.00 -0.01 -0.00 0.00 0.52 0.00 0.00 54.79 55.30 1pbh n ASP 60 Cb 0.00 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 1pbh n ASP 60 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1pbh s LEU 61 N -2.31 -1.20 -1.03 -2.67 2.34 -1.26 -5.08 118.68 107.47 1pbh s LEU 61 Ca 0.00 -0.83 -0.22 0.00 0.06 0.00 0.00 54.13 53.15 1pbh s LEU 61 Cb -0.00 1.55 -0.11 0.00 -0.56 0.00 0.00 46.19 47.07 1pbh s LEU 61 CO 0.04 -0.11 1.92 2.29 -1.06 0.00 0.00 176.35 179.43 1pbh n LYS 62 N 3.86 1.62 -1.08 1.48 2.85 -1.26 -4.98 118.16 120.65 1pbh n LYS 62 Ca 0.11 -2.26 -0.33 0.00 -1.05 0.00 0.00 58.31 54.78 1pbh n LYS 62 Cb 0.59 -3.40 0.13 0.00 -0.65 0.00 0.00 35.03 31.69 1pbh n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1pbh s LEU 1 N 6.93 3.12 0.77 -5.58 2.01 -1.26 -5.02 118.68 119.65 1pbh s LEU 1 Ca 0.64 2.37 -0.12 0.00 0.01 0.00 0.00 54.13 57.03 1pbh s LEU 1 Cb 0.05 -4.59 0.06 0.00 0.01 0.00 0.00 46.19 41.72 1pbh s LEU 1 CO 0.13 -2.72 1.14 -2.16 1.01 0.00 0.00 176.35 173.74 1pbh s PRO 2 N -4.16 2.29 0.25 1.29 0.04 -1.26 -4.99 135.00 128.46 1pbh s PRO 2 Ca 0.73 0.31 0.12 0.00 0.04 0.00 0.00 61.00 62.20 1pbh s PRO 2 Cb -0.29 -1.97 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1pbh s PRO 2 CO 0.51 -1.40 1.49 0.00 0.04 0.00 0.00 177.00 177.64 1pbh h ALA 3 N -0.92 0.71 -2.42 8.56 0.00 -1.99 -3.46 119.26 119.75 1pbh h ALA 3 Ca -0.46 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 53.70 1pbh h ALA 3 Cb 1.29 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1pbh h ALA 3 CO 0.64 0.84 -0.58 -1.12 0.00 0.00 0.00 179.25 179.03 1pbh s SER 4 N -6.63 0.30 -0.29 0.00 0.01 -1.26 -4.42 113.70 101.41 1pbh s SER 4 Ca 0.01 -1.05 -0.23 0.00 1.31 0.00 0.00 55.95 55.99 1pbh s SER 4 Cb 0.10 0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.77 1pbh s SER 4 CO 0.76 -0.72 1.11 0.12 0.41 0.00 0.00 173.24 174.92 1pbh s PHE 5 N -3.99 -0.39 -0.23 2.43 2.19 -0.82 -4.96 117.98 112.22 1pbh s PHE 5 Ca 0.17 0.90 -0.02 0.00 0.33 0.00 0.00 56.93 58.31 1pbh s PHE 5 Cb 0.07 0.37 0.07 0.00 -1.31 0.00 0.00 43.02 42.21 1pbh s PHE 5 CO -0.03 -0.19 0.04 0.34 1.83 0.00 0.00 175.22 177.21 1pbh s ASP 6 N 0.47 3.27 0.60 6.13 -1.08 -1.26 -1.01 116.67 123.80 1pbh s ASP 6 Ca 0.01 -1.04 0.29 0.00 -0.52 0.00 0.00 52.55 51.28 1pbh s ASP 6 Cb -0.05 -0.72 1.49 0.00 -1.46 0.00 0.00 42.92 42.19 1pbh s ASP 6 CO -0.10 -0.32 1.89 0.00 0.52 0.00 0.00 175.17 177.16 1pbh h ALA 7 N 8.18 2.02 0.00 3.66 0.00 -1.79 0.32 119.26 131.65 1pbh h ALA 7 Ca -0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1pbh h ALA 7 Cb 1.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1pbh h ALA 7 CO 0.38 -0.65 -0.45 0.00 0.00 0.00 0.00 179.25 178.53 1pbh h ARG 8 N 0.00 0.00 0.00 0.00 3.08 -1.87 -2.30 114.38 113.29 1pbh h ARG 8 Ca 0.17 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 1pbh h ARG 8 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1pbh h ARG 8 CO -0.00 0.45 -1.01 0.93 -1.07 0.00 0.00 179.97 179.26 1pbh h GLU 9 N 0.00 0.00 0.07 0.04 5.08 -0.80 -3.22 114.58 115.76 1pbh h GLU 9 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pbh h GLU 9 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1pbh h GLU 9 CO 0.06 0.50 -0.03 0.37 -1.00 0.00 0.00 179.01 178.90 1pbh h GLN 10 N 0.00 -0.09 -2.99 2.33 4.15 -1.34 -3.38 115.11 113.79 1pbh h GLN 10 Ca -0.09 0.01 -0.70 0.00 0.77 0.00 0.00 58.65 58.64 1pbh h GLN 10 Cb 1.57 0.02 -0.36 0.00 0.21 0.00 0.00 27.48 28.92 1pbh h GLN 10 CO 0.07 0.49 -0.04 0.91 -1.93 0.00 0.00 178.83 178.33 1pbh n TRP 11 N -4.80 3.72 0.29 3.99 8.01 -0.88 -4.87 117.44 122.90 1pbh n TRP 11 Ca -0.08 -3.85 0.18 0.00 -1.31 0.00 0.00 57.50 52.45 1pbh n TRP 11 Cb 0.30 -1.03 0.83 0.00 -2.01 0.00 0.00 31.31 29.41 1pbh n TRP 11 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1pbh h PRO 12 N 5.47 0.00 -0.01 -0.99 0.13 -1.74 -2.37 132.00 132.49 1pbh h PRO 12 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1pbh h PRO 12 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1pbh h PRO 12 CO 0.94 0.02 -0.07 0.00 -0.23 0.00 0.00 178.00 178.66 1pbh n GLN 13 N -3.15 1.20 -3.76 0.86 0.00 -1.26 -4.39 117.38 106.88 1pbh n GLN 13 Ca -0.01 -0.57 -0.33 0.00 0.00 0.00 0.00 57.00 56.09 1pbh n GLN 13 Cb 0.24 -1.49 -0.09 0.00 0.00 0.00 0.00 30.24 28.90 1pbh n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pbh h PRO 15 N 6.10 0.00 -0.00 0.00 0.13 -1.80 -2.77 132.00 133.65 1pbh h PRO 15 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1pbh h PRO 15 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1pbh h PRO 15 CO 0.77 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.33 1pbh h THR 16 N 0.00 0.17 0.00 1.56 1.35 -1.93 -0.67 112.91 113.39 1pbh h THR 16 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.76 1pbh h THR 16 Cb 0.00 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1pbh h THR 16 CO 0.00 0.00 -0.49 0.40 -0.25 0.00 0.00 175.52 175.18 1pbh h ILE 17 N 0.00 1.19 0.00 6.82 2.04 -1.83 -3.17 117.51 122.56 1pbh h ILE 17 Ca 0.00 -1.78 -0.21 0.00 1.00 0.00 0.00 64.86 63.88 1pbh h ILE 17 Cb 0.01 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1pbh h ILE 17 CO -0.00 0.48 -1.29 0.11 0.00 0.00 0.00 178.15 177.45 1pbh h LYS 18 N 0.00 0.00 -6.65 2.37 1.57 -1.35 -3.46 116.57 109.05 1pbh h LYS 18 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1pbh h LYS 18 Cb 0.96 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.34 1pbh h LYS 18 CO 0.06 0.53 0.87 -1.91 -0.57 0.00 0.00 179.45 178.44 1pbh n GLU 19 N -3.09 2.50 -4.79 3.15 2.13 -1.14 -5.02 120.64 114.39 1pbh n GLU 19 Ca -0.08 0.90 -0.33 0.00 0.66 0.00 0.00 57.16 58.30 1pbh n GLU 19 Cb 0.92 -2.68 -0.14 0.00 0.27 0.00 0.00 31.44 29.81 1pbh n GLU 19 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1pbh s ILE 20 N 0.62 3.14 0.42 6.31 -1.09 -1.26 -5.03 121.20 124.30 1pbh s ILE 20 Ca 0.72 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1pbh s ILE 20 Cb -0.57 -2.29 0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1pbh s ILE 20 CO 0.40 0.55 0.26 0.54 -1.23 0.00 0.00 174.94 175.46 1pbh n ARG 21 N 3.06 0.90 -3.98 2.79 1.74 -1.26 -4.82 116.66 115.09 1pbh n ARG 21 Ca -0.18 -2.69 -0.19 0.00 -0.77 0.00 0.00 57.85 54.01 1pbh n ARG 21 Cb 0.53 0.37 -0.17 0.00 -1.02 0.00 0.00 32.46 32.17 1pbh n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pbh s ASP 22 N -3.43 0.88 0.00 0.55 -1.08 -1.25 -1.18 116.67 111.15 1pbh s ASP 22 Ca 0.20 -0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.42 1pbh s ASP 22 Cb -0.02 -0.35 0.79 0.00 -1.46 0.00 0.00 42.92 41.88 1pbh s ASP 22 CO 0.12 -0.10 1.59 0.00 0.52 0.00 0.00 175.17 177.30 1pbh n GLN 23 N 4.33 0.66 0.00 4.34 10.64 -0.02 -4.95 117.38 132.38 1pbh n GLN 23 Ca -0.21 -0.36 0.00 0.00 -1.83 0.00 0.00 57.00 54.59 1pbh n GLN 23 Cb 0.50 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 1pbh n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1pbh n GLY 24 N 1.36 -0.22 2.51 2.61 0.00 -1.26 -3.09 105.19 107.10 1pbh n GLY 24 Ca 0.11 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1pbh n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pbh n SER 25 N -1.91 7.85 -3.71 1.61 7.64 -1.26 -4.78 113.62 119.05 1pbh n SER 25 Ca 0.00 -3.24 -0.21 0.00 1.01 0.00 0.00 58.87 56.43 1pbh n SER 25 Cb 0.00 -1.32 -0.18 0.00 -1.01 0.00 0.00 64.21 61.70 1pbh n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pbh n GLY 27 N 5.24 2.89 0.79 0.00 0.00 0.31 -4.30 105.19 110.10 1pbh n GLY 27 Ca -0.05 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.19 1pbh n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pbh n SER 28 N 3.51 2.33 -0.24 1.61 3.41 -1.26 -3.67 113.62 119.31 1pbh n SER 28 Ca 0.41 -1.88 0.16 0.00 -0.26 0.00 0.00 58.87 57.29 1pbh n SER 28 Cb 0.33 -0.22 0.46 0.00 -0.26 0.00 0.00 64.21 64.52 1pbh n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pbh h TRP 30 N 0.52 0.59 -0.00 0.00 5.08 -1.78 0.95 115.95 121.31 1pbh h TRP 30 Ca 0.45 -0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.22 1pbh h TRP 30 Cb 0.95 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 26.90 1pbh h TRP 30 CO -0.00 0.48 -0.81 0.00 -1.28 0.00 0.00 178.44 176.82 1pbh h ALA 31 N 1.58 0.64 0.60 0.11 0.00 -0.85 -3.16 119.26 118.18 1pbh h ALA 31 Ca 0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1pbh h ALA 31 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pbh h ALA 31 CO -0.01 0.96 -0.29 0.74 0.00 0.00 0.00 179.25 180.65 1pbh h PHE 32 N 0.04 -0.75 -0.89 0.00 -1.00 0.12 -0.70 116.94 113.77 1pbh h PHE 32 Ca -0.02 -0.02 0.19 0.00 2.81 0.00 0.00 57.97 60.93 1pbh h PHE 32 Cb 1.43 0.25 -0.11 0.00 3.61 0.00 0.00 35.95 41.12 1pbh h PHE 32 CO 0.01 -0.46 0.43 0.78 -1.61 0.00 0.00 178.31 177.46 1pbh h GLY 33 N -1.21 1.50 0.01 -1.45 0.00 -1.06 0.19 103.07 101.06 1pbh h GLY 33 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1pbh h GLY 33 CO 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.51 1pbh h ALA 34 N 1.64 -0.75 0.00 3.60 0.00 -1.50 -2.40 119.26 119.85 1pbh h ALA 34 Ca 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1pbh h ALA 34 Cb 0.89 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1pbh h ALA 34 CO -0.45 -0.75 -0.11 -0.39 0.00 0.00 0.00 179.25 177.55 1pbh h VAL 35 N -0.02 0.58 -0.30 0.00 -1.51 -0.55 -0.57 116.25 113.88 1pbh h VAL 35 Ca -0.00 -0.51 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 1pbh h VAL 35 Cb 0.02 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1pbh h VAL 35 CO -0.00 0.11 0.08 -0.33 -1.23 0.00 0.00 177.57 176.20 1pbh h GLU 36 N 0.00 0.47 -0.07 5.19 5.08 -0.53 0.05 114.58 124.76 1pbh h GLU 36 Ca -0.00 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1pbh h GLU 36 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pbh h GLU 36 CO 0.01 0.54 -0.32 0.00 -1.00 0.00 0.00 179.01 178.24 1pbh h ALA 37 N 0.91 0.14 -0.95 3.43 0.00 -1.11 -2.99 119.26 118.69 1pbh h ALA 37 Ca 0.09 -0.44 0.17 0.00 0.00 0.00 0.00 54.91 54.73 1pbh h ALA 37 Cb 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1pbh h ALA 37 CO -0.00 0.19 0.55 0.82 0.00 0.00 0.00 179.25 180.81 1pbh h ILE 38 N -0.14 0.73 -0.25 0.00 2.04 -1.01 0.43 117.51 119.31 1pbh h ILE 38 Ca -0.02 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1pbh h ILE 38 Cb 0.97 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1pbh h ILE 38 CO 0.07 0.13 0.11 0.28 0.00 0.00 0.00 178.15 178.74 1pbh h SER 39 N 0.73 0.16 0.49 1.72 0.02 -0.93 -2.51 113.55 113.23 1pbh h SER 39 Ca 0.53 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.47 1pbh h SER 39 Cb 0.78 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1pbh h SER 39 CO -0.37 0.13 -0.29 0.44 -1.14 0.00 0.00 176.83 175.59 1pbh h ASP 40 N 0.24 -0.74 -1.33 3.07 3.32 -0.82 -3.09 116.42 117.08 1pbh h ASP 40 Ca 0.10 0.04 0.39 0.00 0.02 0.00 0.00 57.03 57.58 1pbh h ASP 40 Cb 0.04 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1pbh h ASP 40 CO -0.08 -0.46 0.94 0.03 -1.72 0.00 0.00 179.24 177.95 1pbh h ARG 41 N -0.73 0.06 0.62 3.56 3.08 -1.21 0.22 114.38 119.98 1pbh h ARG 41 Ca -0.07 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1pbh h ARG 41 Cb 0.58 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1pbh h ARG 41 CO 0.07 0.04 -0.30 0.82 -1.07 0.00 0.00 179.97 179.54 1pbh h ILE 42 N 0.06 0.23 -0.90 2.04 2.04 -1.37 0.21 117.51 119.82 1pbh h ILE 42 Ca 0.66 -0.32 0.18 0.00 1.00 0.00 0.00 64.86 66.38 1pbh h ILE 42 Cb 2.48 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.79 1pbh h ILE 42 CO -0.09 0.03 0.58 0.00 0.00 0.00 0.00 178.15 178.67 1pbh h ILE 44 N 0.54 1.49 0.00 0.00 2.04 -0.86 -2.78 117.51 117.94 1pbh h ILE 44 Ca 0.47 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1pbh h ILE 44 Cb 0.97 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1pbh h ILE 44 CO -0.20 0.38 -0.67 0.45 0.00 0.00 0.00 178.15 178.10 1pbh h HIS 45 N -0.62 0.00 -0.30 1.37 3.86 -0.07 -2.99 115.15 116.40 1pbh h HIS 45 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1pbh h HIS 45 Cb 0.62 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.00 1pbh h HIS 45 CO 0.14 0.08 0.18 -2.37 0.86 0.00 0.00 177.93 176.83 1pbh n THR 46 N -2.87 1.60 -0.96 2.45 5.66 0.22 -4.80 114.28 115.59 1pbh n THR 46 Ca 0.01 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1pbh n THR 46 Cb 0.58 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1pbh n THR 46 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pbh n ASN 47 N 0.01 -1.87 -3.69 1.09 5.15 -1.25 -4.53 115.26 110.17 1pbh n ASN 47 Ca 0.18 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.91 1pbh n ASN 47 Cb 0.83 -0.94 -0.07 0.00 -0.53 0.00 0.00 39.78 39.08 1pbh n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pbh n ALA 48 N 0.19 0.48 -1.04 5.20 0.00 -1.08 -2.89 120.51 121.37 1pbh n ALA 48 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1pbh n ALA 48 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1pbh n ALA 48 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pbh n HIS 49 N 6.56 0.00 -3.67 0.00 -0.00 -1.07 -4.88 115.22 112.15 1pbh n HIS 49 Ca 0.26 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.69 1pbh n HIS 49 Cb 0.33 0.09 -0.15 0.00 -0.00 0.00 0.00 29.99 30.26 1pbh n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1pbh s VAL 50 N 0.00 0.50 0.20 1.59 -7.23 -1.14 -5.10 120.40 109.22 1pbh s VAL 50 Ca 0.00 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1pbh s VAL 50 Cb 0.00 -1.31 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 1pbh s VAL 50 CO 0.00 -0.58 0.49 -0.44 -0.31 0.00 0.00 175.10 174.26 1pbh s SER 51 N 1.82 6.59 -0.28 4.85 0.01 -1.26 -3.29 113.70 122.14 1pbh s SER 51 Ca 0.07 0.82 -0.22 0.00 1.31 0.00 0.00 55.95 57.93 1pbh s SER 51 Cb -0.17 -2.18 0.10 0.00 0.21 0.00 0.00 66.02 63.97 1pbh s SER 51 CO -0.25 -0.02 0.84 0.54 0.41 0.00 0.00 173.24 174.76 1pbh s VAL 52 N -1.75 0.00 -0.46 3.43 0.11 -1.26 -5.05 120.40 115.42 1pbh s VAL 52 Ca 0.45 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.30 1pbh s VAL 52 Cb -0.12 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1pbh s VAL 52 CO 0.22 0.00 0.62 -1.61 -3.33 0.00 0.00 175.10 171.00 1pbh s GLU 53 N 0.67 3.20 0.19 1.54 2.02 -1.26 -4.73 118.70 120.33 1pbh s GLU 53 Ca -0.02 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 1pbh s GLU 53 Cb -0.05 -4.01 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 1pbh s GLU 53 CO -0.07 -1.08 1.39 0.08 0.02 0.00 0.00 175.26 175.60 1pbh s VAL 54 N 2.70 3.02 -0.35 2.63 1.01 -1.26 0.30 120.40 128.45 1pbh s VAL 54 Ca 0.19 0.81 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 1pbh s VAL 54 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1pbh s VAL 54 CO 0.16 0.10 2.00 -0.55 0.00 0.00 0.00 175.10 176.81 1pbh s SER 55 N 0.62 5.51 0.25 3.32 0.15 0.19 -4.55 113.70 119.19 1pbh s SER 55 Ca 0.61 1.32 0.24 0.00 0.70 0.00 0.00 55.95 58.82 1pbh s SER 55 Cb -0.39 -2.52 0.96 0.00 -1.71 0.00 0.00 66.02 62.37 1pbh s SER 55 CO 0.37 -2.01 1.71 0.00 1.20 0.00 0.00 173.24 174.51 1pbh n ALA 56 N 11.69 1.71 -0.03 5.45 0.00 -1.26 -2.40 120.51 135.67 1pbh n ALA 56 Ca 0.26 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1pbh n ALA 56 Cb 0.48 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1pbh n ALA 56 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pbh h GLU 57 N 0.00 0.13 -0.79 0.00 4.57 -1.88 -1.22 114.58 115.40 1pbh h GLU 57 Ca 0.00 -0.14 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 1pbh h GLU 57 Cb 0.39 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.94 1pbh h GLU 57 CO 0.00 0.90 0.41 0.22 -1.18 0.00 0.00 179.01 179.36 1pbh h ASP 58 N -0.58 0.54 -0.00 1.04 3.58 -1.74 -0.38 116.42 118.87 1pbh h ASP 58 Ca -0.02 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1pbh h ASP 58 Cb 0.96 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1pbh h ASP 58 CO 0.04 0.28 -0.17 0.25 -2.88 0.00 0.00 179.24 176.76 1pbh h LEU 59 N 0.66 0.15 -0.16 2.28 5.85 -1.62 -1.57 115.31 120.90 1pbh h LEU 59 Ca 0.40 -0.77 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1pbh h LEU 59 Cb 0.46 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1pbh h LEU 59 CO -0.29 0.90 -0.31 0.25 -0.34 0.00 0.00 178.44 178.65 1pbh h LEU 60 N -0.59 -0.96 0.00 2.25 5.85 -0.89 -2.60 115.31 118.38 1pbh h LEU 60 Ca -0.02 0.15 -0.20 0.00 0.84 0.00 0.00 57.88 58.65 1pbh h LEU 60 Cb 0.93 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1pbh h LEU 60 CO 0.03 -0.34 -1.19 0.71 -0.34 0.00 0.00 178.44 177.31 1pbh h THR 61 N -0.36 1.01 -0.01 1.05 1.35 -1.20 -3.39 112.91 111.36 1pbh h THR 61 Ca 0.11 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1pbh h THR 61 Cb 0.53 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1pbh h THR 61 CO -0.36 0.57 -0.55 0.00 -0.25 0.00 0.00 175.52 174.93 1pbh n GLY 64 N 0.24 -0.05 0.52 0.00 0.00 -1.26 -4.67 105.19 99.98 1pbh n GLY 64 Ca 0.00 -2.28 0.36 0.00 0.00 0.00 0.00 46.02 44.10 1pbh n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pbh h SER 65 N 0.00 0.14 -0.69 1.61 4.64 -1.98 0.28 113.55 117.54 1pbh h SER 65 Ca 0.00 0.04 0.13 0.00 -0.47 0.00 0.00 61.79 61.50 1pbh h SER 65 Cb 0.00 0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 61.99 1pbh h SER 65 CO 0.00 -0.02 -0.24 -0.03 -0.87 0.00 0.00 176.83 175.68 1pbh h MET 66 N 0.10 -0.05 0.00 4.77 1.85 -1.99 0.90 114.93 120.51 1pbh h MET 66 Ca 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.77 1pbh h MET 66 Cb 2.41 0.01 0.00 0.00 0.43 0.00 0.00 31.60 34.45 1pbh h MET 66 CO -0.15 -0.03 -0.55 0.00 -0.40 0.00 0.00 176.91 175.78 1pbh n GLY 68 N 1.43 0.42 1.81 0.00 0.00 0.31 -0.35 105.19 108.81 1pbh n GLY 68 Ca 0.04 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 1pbh n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pbh n ASP 69 N 0.00 4.72 0.00 1.61 8.00 -0.31 -3.81 116.55 126.75 1pbh n ASP 69 Ca 0.00 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.72 1pbh n ASP 69 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1pbh n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pbh n GLY 70 N -0.86 3.74 0.00 0.44 0.00 -1.24 -1.32 105.19 105.94 1pbh n GLY 70 Ca 0.44 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.60 1pbh n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pbh n ASN 72 N -0.64 2.57 0.00 0.00 3.02 -0.44 -0.53 115.26 119.24 1pbh n ASN 72 Ca 0.05 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 1pbh n ASN 72 Cb 0.02 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1pbh n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pbh n GLY 73 N 0.59 4.05 3.51 7.41 0.00 -1.14 -4.90 105.19 114.72 1pbh n GLY 73 Ca 0.10 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1pbh n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pbh s GLY 74 N 0.00 -0.49 -0.51 -0.02 0.00 -0.80 -1.16 107.32 104.34 1pbh s GLY 74 Ca 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 44.72 45.04 1pbh s GLY 74 CO 0.00 0.18 0.77 -0.19 0.00 0.00 0.00 173.10 173.85 1pbh s TYR 75 N -3.55 2.94 0.27 1.90 2.02 0.53 -3.06 117.35 118.41 1pbh s TYR 75 Ca 0.04 -0.20 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1pbh s TYR 75 Cb -0.02 -3.74 0.58 0.00 -0.40 0.00 0.00 41.96 38.38 1pbh s TYR 75 CO -0.09 -1.13 1.73 -1.35 -1.57 0.00 0.00 175.55 173.14 1pbh h PRO 76 N 9.10 0.50 -0.85 -1.71 0.11 -1.87 -1.11 132.00 136.17 1pbh h PRO 76 Ca -0.26 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.93 1pbh h PRO 76 Cb 1.09 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 1pbh h PRO 76 CO 1.00 0.33 0.47 0.00 -0.21 0.00 0.00 178.00 179.59 1pbh h ALA 77 N 1.60 1.25 -0.00 -0.75 0.00 -1.91 -1.89 119.26 117.57 1pbh h ALA 77 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1pbh h ALA 77 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pbh h ALA 77 CO -0.42 0.03 -0.02 0.39 0.00 0.00 0.00 179.25 179.23 1pbh n GLU 78 N -4.79 0.48 0.00 0.00 -0.58 -0.43 -2.85 120.64 112.47 1pbh n GLU 78 Ca 0.15 -0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.76 1pbh n GLU 78 Cb 0.35 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 1pbh n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pbh h ALA 79 N 3.47 -0.11 -0.86 0.62 0.00 -1.26 -1.27 119.26 119.85 1pbh h ALA 79 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1pbh h ALA 79 Cb 0.28 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1pbh h ALA 79 CO 0.00 -0.18 0.52 -1.49 0.00 0.00 0.00 179.25 178.10 1pbh h TRP 80 N -0.88 0.96 -0.31 0.00 4.06 -1.60 -0.84 115.95 117.35 1pbh h TRP 80 Ca -0.01 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 1pbh h TRP 80 Cb 0.58 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1pbh h TRP 80 CO 0.13 0.45 -0.10 -0.97 -3.56 0.00 0.00 178.44 174.38 1pbh h ASN 81 N 0.91 0.49 0.40 -3.49 -1.24 -1.52 -1.60 115.58 109.53 1pbh h ASN 81 Ca 0.39 -0.12 -0.18 0.00 0.71 0.00 0.00 56.30 57.11 1pbh h ASN 81 Cb 0.26 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1pbh h ASN 81 CO -0.20 0.63 -0.74 0.15 -1.29 0.00 0.00 177.43 175.98 1pbh h PHE 82 N 0.48 0.38 -0.10 0.67 3.57 -0.15 0.19 116.94 121.98 1pbh h PHE 82 Ca 0.09 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1pbh h PHE 82 Cb 0.47 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1pbh h PHE 82 CO 0.02 0.92 0.05 2.35 -2.23 0.00 0.00 178.31 179.41 1pbh h TRP 83 N 0.19 0.14 -0.47 0.41 7.01 -0.67 0.62 115.95 123.17 1pbh h TRP 83 Ca -0.03 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.86 1pbh h TRP 83 Cb 1.30 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 1pbh h TRP 83 CO 0.03 0.20 -0.11 1.15 -2.79 0.00 0.00 178.44 176.92 1pbh h THR 84 N 0.04 1.27 0.35 2.65 2.02 -1.31 0.01 112.91 117.94 1pbh h THR 84 Ca 0.03 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1pbh h THR 84 Cb 0.11 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1pbh h THR 84 CO -0.00 0.43 -0.17 -0.09 0.37 0.00 0.00 175.52 176.05 1pbh h ARG 85 N 0.74 -0.45 0.00 6.66 9.65 -0.64 -3.41 114.38 126.94 1pbh h ARG 85 Ca 0.12 0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1pbh h ARG 85 Cb 0.66 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1pbh h ARG 85 CO 0.05 -0.30 -1.46 1.63 2.80 0.00 0.00 179.97 182.69 1pbh n LYS 86 N -3.31 1.26 0.00 0.20 4.01 0.21 -5.06 118.16 115.48 1pbh n LYS 86 Ca -0.06 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 1pbh n LYS 86 Cb 0.18 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1pbh n LYS 86 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pbh n GLY 87 N 2.22 0.44 2.88 0.72 0.00 -0.03 -4.91 105.19 106.50 1pbh n GLY 87 Ca -0.06 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1pbh n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pbh s LEU 88 N -1.14 1.10 0.94 0.99 1.43 0.06 -4.68 118.68 117.36 1pbh s LEU 88 Ca 0.00 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1pbh s LEU 88 Cb 0.00 0.18 0.20 0.00 0.03 0.00 0.00 46.19 46.60 1pbh s LEU 88 CO 0.00 -0.11 1.28 0.68 0.23 0.00 0.00 176.35 178.43 1pbh s VAL 89 N 0.85 2.01 0.89 -1.59 -7.23 -1.26 -0.53 120.40 113.55 1pbh s VAL 89 Ca -0.07 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 1pbh s VAL 89 Cb -0.09 -2.91 0.13 0.00 0.56 0.00 0.00 36.38 34.06 1pbh s VAL 89 CO -0.03 0.00 1.10 -0.44 -0.31 0.00 0.00 175.10 175.41 1pbh s SER 90 N -4.90 3.56 0.00 4.85 0.01 -1.26 -0.64 113.70 115.33 1pbh s SER 90 Ca 0.74 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1pbh s SER 90 Cb -0.03 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1pbh s SER 90 CO 0.52 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 172.22 1pbh n GLY 91 N -1.42 0.50 0.00 3.44 0.00 0.15 -1.75 105.19 106.11 1pbh n GLY 91 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1pbh n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pbh n GLY 92 N 0.00 0.22 3.54 -0.02 0.00 0.64 -3.48 105.19 106.09 1pbh n GLY 92 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1pbh n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pbh n LEU 93 N 0.00 1.38 -4.69 0.99 4.32 -1.26 -1.73 117.00 116.01 1pbh n LEU 93 Ca 0.00 0.31 -0.45 0.00 -0.02 0.00 0.00 56.01 55.86 1pbh n LEU 93 Cb 0.00 -1.34 -0.03 0.00 -1.62 0.00 0.00 43.42 40.43 1pbh n LEU 93 CO 0.00 -2.83 1.17 0.00 -1.22 0.00 0.00 177.39 174.51 1pbh n TYR 94 N -4.09 2.38 -1.96 -1.77 9.36 -1.23 -1.85 117.16 117.99 1pbh n TYR 94 Ca 0.09 0.28 -0.15 0.00 3.32 0.00 0.00 57.90 61.44 1pbh n TYR 94 Cb 0.53 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.66 1pbh n TYR 94 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1pbh n GLU 95 N 2.95 -1.72 0.15 2.98 -0.58 -1.26 -4.81 120.64 118.36 1pbh n GLU 95 Ca 0.14 0.80 0.12 0.00 -0.42 0.00 0.00 57.16 57.80 1pbh n GLU 95 Cb 0.31 -5.26 0.07 0.00 -0.57 0.00 0.00 31.44 26.00 1pbh n GLU 95 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1pbh h SER 96 N 0.00 0.00 -5.28 1.62 4.64 -1.71 -3.48 113.55 109.35 1pbh h SER 96 Ca -0.33 -0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.57 1pbh h SER 96 Cb 1.13 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1pbh h SER 96 CO 0.43 0.00 -0.65 1.41 -0.87 0.00 0.00 176.83 177.16 1pbh n HIS 97 N -2.82 -2.34 -3.95 4.77 8.25 -1.26 -4.97 115.22 112.90 1pbh n HIS 97 Ca 0.02 0.75 -0.34 0.00 -0.26 0.00 0.00 57.72 57.88 1pbh n HIS 97 Cb 0.54 -4.52 -0.14 0.00 1.12 0.00 0.00 29.99 26.99 1pbh n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pbh s VAL 98 N -3.23 2.79 0.00 1.59 1.01 -1.26 -5.04 120.40 116.26 1pbh s VAL 98 Ca 0.46 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1pbh s VAL 98 Cb -0.21 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1pbh s VAL 98 CO 0.57 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1pbh n GLY 99 N 4.57 -2.95 0.14 4.51 0.00 -1.26 -0.26 105.19 109.94 1pbh n GLY 99 Ca -0.13 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 1pbh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pbh s ARG 101 N -5.72 0.43 0.13 0.00 0.52 -0.71 0.41 118.95 114.00 1pbh s ARG 101 Ca -0.15 -0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 54.18 1pbh s ARG 101 Cb 0.04 -1.63 -0.07 0.00 0.52 0.00 0.00 34.95 33.81 1pbh s ARG 101 CO 0.63 -0.94 0.64 -2.14 0.02 0.00 0.00 175.30 173.52 1pbh s PRO 102 N 1.90 4.26 -0.47 3.54 0.02 -1.26 -4.10 135.00 138.88 1pbh s PRO 102 Ca 0.08 0.82 -0.43 0.00 0.02 0.00 0.00 61.00 61.49 1pbh s PRO 102 Cb -0.17 -3.15 -0.18 0.00 0.02 0.00 0.00 34.50 31.03 1pbh s PRO 102 CO -0.27 0.57 2.08 0.98 -0.33 0.00 0.00 177.00 180.03 1pbh n TYR 103 N 1.42 1.30 0.96 6.54 9.36 -0.71 -4.82 117.16 131.22 1pbh n TYR 103 Ca -0.07 0.74 0.13 0.00 3.32 0.00 0.00 57.90 62.01 1pbh n TYR 103 Cb 0.50 -2.32 0.43 0.00 -0.63 0.00 0.00 39.34 37.32 1pbh n TYR 103 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1pbh n SER 104 N 7.40 0.29 -4.57 2.98 3.41 -1.26 -3.55 113.62 118.31 1pbh n SER 104 Ca 0.50 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 1pbh n SER 104 Cb -0.00 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1pbh n SER 104 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1pbh s ILE 105 N -3.01 4.42 0.46 -1.33 1.01 -1.26 -5.01 121.20 116.48 1pbh s ILE 105 Ca 0.12 0.84 -0.23 0.00 0.00 0.00 0.00 60.65 61.38 1pbh s ILE 105 Cb 0.18 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 1pbh s ILE 105 CO 0.62 -0.87 1.16 -2.16 0.00 0.00 0.00 174.94 173.68 1pbh s PRO 106 N 3.90 3.75 0.71 2.79 0.04 -1.26 -4.69 135.00 140.23 1pbh s PRO 106 Ca 0.39 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1pbh s PRO 106 Cb -0.09 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1pbh s PRO 106 CO 0.27 -0.56 1.07 -1.25 0.04 0.00 0.00 177.00 176.58 1pbh s PRO 107 N -2.73 2.82 0.03 0.56 0.04 -1.26 -4.48 135.00 129.97 1pbh s PRO 107 Ca 0.64 0.74 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1pbh s PRO 107 Cb -0.28 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1pbh s PRO 107 CO 0.34 -1.13 -0.23 0.00 0.04 0.00 0.00 177.00 176.02 1pbh n GLU 109 N 1.84 0.70 -0.50 0.00 1.02 -1.26 -4.62 120.64 117.83 1pbh n GLU 109 Ca -0.17 0.00 0.41 0.00 -0.02 0.00 0.00 57.16 57.38 1pbh n GLU 109 Cb 0.52 -1.15 0.70 0.00 -0.02 0.00 0.00 31.44 31.49 1pbh n GLU 109 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1pbh h HIS 110 N 1.57 0.35 -0.02 -0.32 2.07 -1.89 0.30 115.15 117.21 1pbh h HIS 110 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1pbh h HIS 110 Cb 0.70 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.59 1pbh h HIS 110 CO 0.23 -0.13 0.00 -2.39 -3.07 0.00 0.00 177.93 172.57 1pbh n HIS 111 N -4.46 0.07 -4.03 6.12 1.44 -1.25 0.77 115.22 113.87 1pbh n HIS 111 Ca 0.38 -0.03 -0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1pbh n HIS 111 Cb 1.55 -0.08 -0.04 0.00 0.12 0.00 0.00 29.99 31.54 1pbh n HIS 111 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1pbh s VAL 112 N -1.31 0.00 0.00 0.61 -7.23 0.10 -4.83 120.40 107.75 1pbh s VAL 112 Ca 0.02 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1pbh s VAL 112 Cb 0.01 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1pbh s VAL 112 CO 0.01 0.00 0.00 -0.46 -0.31 0.00 0.00 175.10 174.34 1pbh n ASN 113 N -1.12 0.00 -0.55 4.85 2.04 -1.26 -4.70 115.26 114.52 1pbh n ASN 113 Ca -0.01 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.26 1pbh n ASN 113 Cb 0.62 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.15 1pbh n ASN 113 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pbh n GLY 114 N 0.00 0.11 0.17 4.83 0.00 -1.26 -4.12 105.19 104.92 1pbh n GLY 114 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1pbh n GLY 114 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pbh h SER 115 N 2.68 0.00 -4.07 1.61 4.64 -2.01 -3.46 113.55 112.95 1pbh h SER 115 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 1pbh h SER 115 Cb 0.67 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.92 1pbh h SER 115 CO 0.00 0.22 0.36 -2.11 -0.87 0.00 0.00 176.83 174.42 1pbh n ARG 116 N -3.09 -1.05 -2.16 4.77 1.85 -1.26 -5.02 116.66 110.69 1pbh n ARG 116 Ca 0.02 -2.10 -0.41 0.00 -1.00 0.00 0.00 57.85 54.37 1pbh n ARG 116 Cb 0.63 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.81 1pbh n ARG 116 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1pbh s PRO 117 N -5.67 4.39 0.37 2.89 0.02 -1.26 -4.96 135.00 130.78 1pbh s PRO 117 Ca 0.71 2.15 -0.27 0.00 0.02 0.00 0.00 61.00 63.61 1pbh s PRO 117 Cb -0.02 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.28 1pbh s PRO 117 CO 0.50 -0.17 1.38 -2.30 -0.33 0.00 0.00 177.00 176.08 1pbh n PRO 118 N 1.20 2.34 -2.68 5.54 -0.02 -1.26 -4.87 135.00 135.25 1pbh n PRO 118 Ca 0.01 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1pbh n PRO 118 Cb 0.42 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1pbh n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pbh s THR 120 N 4.20 4.89 -1.06 0.00 -4.23 -1.26 -0.16 115.64 118.02 1pbh s THR 120 Ca 0.42 1.65 -0.23 0.00 -1.18 0.00 0.00 61.69 62.35 1pbh s THR 120 Cb -0.02 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 1pbh s THR 120 CO -0.10 0.05 1.84 -0.83 -0.54 0.00 0.00 174.62 175.04 1pbh s GLY 121 N 1.12 0.51 0.25 3.99 0.00 -1.25 -4.66 107.32 107.29 1pbh s GLY 121 Ca 0.39 -2.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.03 1pbh s GLY 121 CO 0.13 3.30 0.39 1.85 0.00 0.00 0.00 173.10 178.78 1pbh s GLU 122 N 6.19 1.53 0.00 2.90 2.56 -1.26 -4.16 118.70 126.46 1pbh s GLU 122 Ca 0.64 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 54.17 1pbh s GLU 122 Cb -0.02 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.52 1pbh s GLU 122 CO 0.03 -0.61 0.00 0.41 -0.56 0.00 0.00 175.26 174.54 1pbh n GLY 123 N -0.39 0.89 3.20 -1.50 0.00 -1.26 -4.79 105.19 101.34 1pbh n GLY 123 Ca -0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 1pbh n GLY 123 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pbh s ASP 124 N -4.00 0.24 0.02 1.61 -4.77 -1.26 -5.06 116.67 103.44 1pbh s ASP 124 Ca 0.00 -1.37 -0.30 0.00 -3.30 0.00 0.00 52.55 47.58 1pbh s ASP 124 Cb 0.00 0.36 -0.04 0.00 -1.09 0.00 0.00 42.92 42.15 1pbh s ASP 124 CO 0.00 -0.82 1.08 -0.89 0.70 0.00 0.00 175.17 175.24 1pbh s THR 125 N -4.12 4.50 0.54 2.11 2.01 -1.26 -4.91 115.64 114.50 1pbh s THR 125 Ca 0.37 1.79 -0.22 0.00 0.31 0.00 0.00 61.69 63.94 1pbh s THR 125 Cb 0.07 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1pbh s THR 125 CO 0.11 0.12 1.32 -2.65 -0.69 0.00 0.00 174.62 172.83 1pbh n PRO 126 N 4.05 1.65 -2.61 4.92 -0.02 -1.26 -4.93 135.00 136.80 1pbh n PRO 126 Ca 0.08 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1pbh n PRO 126 Cb 0.49 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1pbh n PRO 126 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1pbh s LYS 127 N -2.80 4.61 -0.72 -0.52 -2.85 -1.26 -4.59 119.74 111.60 1pbh s LYS 127 Ca 0.71 1.58 -0.25 0.00 -1.00 0.00 0.00 55.97 57.01 1pbh s LYS 127 Cb -0.43 -3.35 -0.15 0.00 -2.06 0.00 0.00 37.83 31.85 1pbh s LYS 127 CO 0.50 0.07 2.45 0.00 0.10 0.00 0.00 175.35 178.46 1pbh s SER 129 N 9.90 6.24 -0.67 0.00 0.01 -1.26 -4.96 113.70 122.96 1pbh s SER 129 Ca 1.08 -2.17 -0.11 0.00 1.31 0.00 0.00 55.95 56.06 1pbh s SER 129 Cb -0.46 -2.16 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 1pbh s SER 129 CO 0.30 -0.71 1.84 0.29 0.41 0.00 0.00 173.24 175.37 1pbh n LYS 130 N 4.67 1.45 -3.64 12.44 5.02 -1.26 -4.72 118.16 132.11 1pbh n LYS 130 Ca -0.03 -1.38 -0.07 0.00 -2.02 0.00 0.00 58.31 54.81 1pbh n LYS 130 Cb 0.42 -2.51 -0.07 0.00 -0.02 0.00 0.00 35.03 32.85 1pbh n LYS 130 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1pbh s ILE 131 N 4.36 0.00 0.61 -0.18 2.07 -1.26 -4.90 121.20 121.89 1pbh s ILE 131 Ca 0.40 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.49 1pbh s ILE 131 Cb 0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1pbh s ILE 131 CO 0.04 0.00 1.05 0.00 -1.91 0.00 0.00 174.94 174.12 1pbh s GLU 133 N -4.27 3.09 0.34 0.00 2.02 0.16 -4.97 118.70 115.07 1pbh s GLU 133 Ca 0.62 1.48 -0.28 0.00 0.02 0.00 0.00 54.97 56.82 1pbh s GLU 133 Cb -0.15 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 1pbh s GLU 133 CO 0.40 -1.04 1.23 -2.14 0.02 0.00 0.00 175.26 173.73 1pbh s PRO 134 N -3.71 4.31 0.00 0.39 0.02 -1.26 -3.36 135.00 131.39 1pbh s PRO 134 Ca 0.69 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1pbh s PRO 134 Cb -0.22 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1pbh s PRO 134 CO 0.34 -0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.26 1pbh n GLY 135 N 0.83 3.47 3.77 0.52 0.00 -1.26 -5.07 105.19 107.46 1pbh n GLY 135 Ca 0.01 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1pbh n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pbh s TYR 136 N -0.00 3.60 -0.12 1.61 6.14 -1.21 -5.05 117.35 122.31 1pbh s TYR 136 Ca 0.00 1.75 -0.11 0.00 0.64 0.00 0.00 57.07 59.35 1pbh s TYR 136 Cb 0.00 -3.06 0.03 0.00 0.42 0.00 0.00 41.96 39.35 1pbh s TYR 136 CO 0.00 -0.13 0.32 -1.12 0.64 0.00 0.00 175.55 175.26 1pbh s SER 137 N -1.39 -0.34 0.64 4.32 0.01 -1.26 -4.83 113.70 110.85 1pbh s SER 137 Ca 0.50 0.65 -0.05 0.00 1.31 0.00 0.00 55.95 58.36 1pbh s SER 137 Cb -0.23 0.65 0.08 0.00 0.21 0.00 0.00 66.02 66.72 1pbh s SER 137 CO 0.29 -0.12 0.17 -0.81 0.41 0.00 0.00 173.24 173.19 1pbh n PRO 138 N 3.03 0.41 -0.06 12.44 -0.04 -1.26 -5.14 135.00 144.38 1pbh n PRO 138 Ca -0.14 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1pbh n PRO 138 Cb 0.57 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1pbh n PRO 138 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pbh n THR 139 N -3.40 0.00 -0.01 0.52 -2.24 -1.26 -4.87 114.28 103.02 1pbh n THR 139 Ca 0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1pbh n THR 139 Cb 0.12 -1.69 -0.02 0.00 -2.10 0.00 0.00 70.33 66.64 1pbh n THR 139 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pbh h TYR 140 N -0.12 -0.09 -0.98 4.78 3.20 -1.95 -2.78 116.97 119.03 1pbh h TYR 140 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1pbh h TYR 140 Cb 0.00 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 1pbh h TYR 140 CO 0.00 0.03 0.63 0.87 -1.64 0.00 0.00 178.16 178.05 1pbh h LYS 141 N -1.02 0.97 -0.55 1.82 1.57 -1.96 -0.09 116.57 117.31 1pbh h LYS 141 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1pbh h LYS 141 Cb 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1pbh h LYS 141 CO 0.02 0.64 0.27 1.96 -0.57 0.00 0.00 179.45 181.77 1pbh h GLN 142 N 1.00 0.79 0.00 3.15 4.20 -1.95 -3.05 115.11 119.25 1pbh h GLN 142 Ca 0.47 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1pbh h GLN 142 Cb 0.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1pbh h GLN 142 CO -0.23 0.64 0.00 -3.47 -0.67 0.00 0.00 178.83 175.10 1pbh n ASP 143 N -4.57 0.00 -4.66 1.46 2.03 -0.09 -4.85 116.55 105.88 1pbh n ASP 143 Ca 0.03 0.49 -0.42 0.00 0.52 0.00 0.00 54.79 55.40 1pbh n ASP 143 Cb 0.12 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 1pbh n ASP 143 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pbh s LYS 144 N -2.99 4.15 -0.15 -0.67 1.02 -0.97 -4.13 119.74 116.00 1pbh s LYS 144 Ca 0.09 2.07 -0.14 0.00 0.02 0.00 0.00 55.97 58.00 1pbh s LYS 144 Cb 0.12 -3.96 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1pbh s LYS 144 CO 0.32 -0.88 0.32 -1.01 -0.92 0.00 0.00 175.35 173.19 1pbh s HIS 145 N 4.10 3.48 -0.14 3.18 3.76 0.31 -4.76 115.29 125.21 1pbh s HIS 145 Ca 0.71 0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 56.24 1pbh s HIS 145 Cb -0.31 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 30.99 1pbh s HIS 145 CO 0.27 0.24 -0.06 0.71 -0.85 0.00 0.00 174.74 175.06 1pbh s TYR 146 N 0.43 2.97 0.84 1.40 1.51 -1.26 -0.76 117.35 122.48 1pbh s TYR 146 Ca 0.18 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 1pbh s TYR 146 Cb -0.13 -1.91 0.10 0.00 -0.11 0.00 0.00 41.96 39.91 1pbh s TYR 146 CO 0.05 -0.03 1.16 0.20 -1.11 0.00 0.00 175.55 175.82 1pbh s GLY 147 N 0.23 1.59 -0.23 0.71 0.00 -1.09 -2.80 107.32 105.72 1pbh s GLY 147 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 1pbh s GLY 147 CO 0.03 -0.09 -0.10 2.98 0.00 0.00 0.00 173.10 175.92 1pbh n TYR 148 N -3.46 0.30 -3.56 1.90 9.36 0.14 -4.40 117.16 117.43 1pbh n TYR 148 Ca 0.07 0.07 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 1pbh n TYR 148 Cb 0.60 -1.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.24 1pbh n TYR 148 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1pbh s ASN 149 N -6.70 -0.40 -0.03 2.98 2.20 -1.16 -4.99 114.94 106.83 1pbh s ASN 149 Ca -0.32 -0.20 0.06 0.00 -0.94 0.00 0.00 52.86 51.45 1pbh s ASN 149 Cb 0.09 0.56 -0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1pbh s ASN 149 CO 0.63 -0.96 -0.19 -0.55 -2.94 0.00 0.00 177.10 173.09 1pbh s SER 150 N -2.79 3.62 0.10 3.54 0.15 -1.26 -3.32 113.70 113.74 1pbh s SER 150 Ca 0.03 -0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.15 1pbh s SER 150 Cb -0.00 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.74 1pbh s SER 150 CO -0.10 0.33 0.51 -0.72 1.20 0.00 0.00 173.24 174.45 1pbh s TYR 151 N -0.71 -0.40 -0.10 3.44 -0.85 0.17 -4.68 117.35 114.23 1pbh s TYR 151 Ca 0.11 0.26 -0.11 0.00 -0.52 0.00 0.00 57.07 56.81 1pbh s TYR 151 Cb -0.10 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.57 1pbh s TYR 151 CO 0.00 -0.72 0.26 -1.12 -1.52 0.00 0.00 175.55 172.45 1pbh s SER 152 N -2.45 6.51 -0.07 -0.18 0.01 0.41 -0.14 113.70 117.79 1pbh s SER 152 Ca -0.01 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.70 1pbh s SER 152 Cb 0.00 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 1pbh s SER 152 CO -0.08 0.29 0.40 -0.69 0.41 0.00 0.00 173.24 173.56 1pbh s VAL 153 N -0.54 5.14 1.06 3.43 1.01 0.20 -0.10 120.40 130.59 1pbh s VAL 153 Ca 0.17 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1pbh s VAL 153 Cb -0.14 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1pbh s VAL 153 CO 0.06 0.48 -0.32 -1.20 0.00 0.00 0.00 175.10 174.12 1pbh n SER 154 N 2.65 -2.71 -4.30 3.32 7.64 -1.26 -4.43 113.62 114.51 1pbh n SER 154 Ca -0.12 -0.01 -0.44 0.00 1.01 0.00 0.00 58.87 59.32 1pbh n SER 154 Cb 0.52 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1pbh n SER 154 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pbh n ASN 155 N -0.19 5.28 -3.52 6.43 4.05 -1.26 -4.67 115.26 121.38 1pbh n ASN 155 Ca 0.01 -3.03 -0.03 0.00 0.45 0.00 0.00 54.58 51.98 1pbh n ASN 155 Cb 0.63 -1.52 -0.05 0.00 1.23 0.00 0.00 39.78 40.07 1pbh n ASN 155 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1pbh s SER 156 N 2.05 -0.78 0.25 1.20 0.15 -1.26 -5.04 113.70 110.27 1pbh s SER 156 Ca 0.40 1.13 -0.12 0.00 0.70 0.00 0.00 55.95 58.06 1pbh s SER 156 Cb -0.01 1.87 0.35 0.00 -1.71 0.00 0.00 66.02 66.52 1pbh s SER 156 CO -0.00 -0.24 1.56 -0.08 1.20 0.00 0.00 173.24 175.68 1pbh h GLU 157 N 8.07 -0.01 0.06 5.44 4.81 -1.92 0.10 114.58 131.13 1pbh h GLU 157 Ca -0.18 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1pbh h GLU 157 Cb 1.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1pbh h GLU 157 CO 0.16 -0.01 -0.16 0.87 -0.73 0.00 0.00 179.01 179.14 1pbh h LYS 158 N -0.01 -0.28 -0.38 1.92 6.56 -1.98 -0.84 116.57 121.56 1pbh h LYS 158 Ca 0.40 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 60.02 1pbh h LYS 158 Cb 0.65 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 1pbh h LYS 158 CO -0.96 -0.19 0.24 -0.44 -2.06 0.00 0.00 179.45 176.04 1pbh h ASP 159 N -0.29 0.40 -0.55 0.86 5.19 -1.27 -0.89 116.42 119.87 1pbh h ASP 159 Ca 0.03 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1pbh h ASP 159 Cb 0.33 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 1pbh h ASP 159 CO -0.11 0.29 0.33 0.40 -3.12 0.00 0.00 179.24 177.03 1pbh h ILE 160 N 0.48 1.05 -0.81 0.35 2.04 -0.79 -1.37 117.51 118.48 1pbh h ILE 160 Ca 0.14 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1pbh h ILE 160 Cb -0.03 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1pbh h ILE 160 CO -0.05 0.12 0.49 0.24 0.00 0.00 0.00 178.15 178.96 1pbh h MET 161 N 0.65 0.88 0.00 2.37 2.86 -0.61 -1.16 114.93 119.92 1pbh h MET 161 Ca 0.22 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1pbh h MET 161 Cb 0.03 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1pbh h MET 161 CO -0.10 0.58 -0.04 0.00 1.06 0.00 0.00 176.91 178.41 1pbh h ALA 162 N 1.39 1.01 0.03 6.32 0.00 -0.36 -1.00 119.26 126.64 1pbh h ALA 162 Ca 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1pbh h ALA 162 Cb 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pbh h ALA 162 CO -0.17 0.05 -0.42 1.49 0.00 0.00 0.00 179.25 180.20 1pbh h GLU 163 N 0.00 0.23 -0.33 0.00 4.22 -0.18 -2.74 114.58 115.79 1pbh h GLU 163 Ca -0.00 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 59.14 1pbh h GLU 163 Cb 0.59 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1pbh h GLU 163 CO 0.01 1.04 0.15 0.82 -2.18 0.00 0.00 179.01 178.85 1pbh h ILE 164 N -0.45 1.16 -0.04 2.32 2.04 -1.27 0.48 117.51 121.75 1pbh h ILE 164 Ca -0.06 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pbh h ILE 164 Cb 1.21 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1pbh h ILE 164 CO 0.08 0.17 0.01 0.22 0.00 0.00 0.00 178.15 178.63 1pbh h TYR 165 N 0.39 0.07 -0.09 1.37 5.03 -1.30 0.44 116.97 122.88 1pbh h TYR 165 Ca 0.11 -0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.22 1pbh h TYR 165 Cb 0.12 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1pbh h TYR 165 CO -0.02 0.29 -0.75 0.87 -1.32 0.00 0.00 178.16 177.23 1pbh h LYS 166 N -0.17 0.49 0.00 1.82 1.57 -1.47 -3.39 116.57 115.42 1pbh h LYS 166 Ca 0.01 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1pbh h LYS 166 Cb 0.25 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1pbh h LYS 166 CO 0.00 1.04 0.00 0.09 -0.57 0.00 0.00 179.45 180.01 1pbh n ASN 167 N -3.86 0.54 0.00 0.86 3.02 0.17 -5.08 115.26 110.92 1pbh n ASN 167 Ca -0.05 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1pbh n ASN 167 Cb 0.72 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.06 1pbh n ASN 167 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pbh n GLY 168 N 0.17 -3.73 3.34 7.41 0.00 0.15 -4.77 105.19 107.76 1pbh n GLY 168 Ca 0.00 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 1pbh n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pbh n PRO 169 N -0.01 0.18 -4.43 1.61 -0.02 -1.26 -3.68 135.00 127.39 1pbh n PRO 169 Ca 0.00 0.08 -0.21 0.00 -2.02 0.00 0.00 63.50 61.35 1pbh n PRO 169 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1pbh n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pbh s VAL 170 N -1.95 0.72 -0.14 -1.45 -7.23 -0.77 -4.92 120.40 104.67 1pbh s VAL 170 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1pbh s VAL 170 Cb -0.37 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1pbh s VAL 170 CO 0.64 0.00 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.58 1pbh s GLU 171 N -3.84 3.27 0.00 4.82 2.12 -0.71 -0.88 118.70 123.48 1pbh s GLU 171 Ca 0.32 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1pbh s GLU 171 Cb 0.06 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.84 1pbh s GLU 171 CO 0.15 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1pbh n GLY 172 N 3.82 6.00 3.54 -1.50 0.00 0.28 -0.69 105.19 116.63 1pbh n GLY 172 Ca -0.19 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 1pbh n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pbh s ALA 173 N -2.00 -1.23 -0.09 4.61 0.00 -1.26 -0.35 121.76 121.44 1pbh s ALA 173 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 1pbh s ALA 173 Cb 0.00 0.86 0.12 0.00 0.00 0.00 0.00 23.12 24.09 1pbh s ALA 173 CO 0.00 -0.83 0.95 -0.59 0.00 0.00 0.00 175.76 175.29 1pbh s PHE 174 N -3.83 -0.36 -0.14 0.00 -0.71 -0.44 -3.75 117.98 108.74 1pbh s PHE 174 Ca 0.06 0.46 -0.29 0.00 -1.04 0.00 0.00 56.93 56.12 1pbh s PHE 174 Cb -0.02 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 1pbh s PHE 174 CO -0.05 -0.43 1.12 -1.12 -1.34 0.00 0.00 175.22 173.40 1pbh s SER 175 N -1.71 7.09 -0.26 1.98 0.01 -0.82 -1.24 113.70 118.74 1pbh s SER 175 Ca 0.01 1.59 -0.20 0.00 1.31 0.00 0.00 55.95 58.67 1pbh s SER 175 Cb -0.01 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1pbh s SER 175 CO -0.03 -0.62 0.60 -0.69 0.41 0.00 0.00 173.24 172.92 1pbh s VAL 176 N 2.74 4.99 0.22 3.43 1.01 0.47 -4.94 120.40 128.33 1pbh s VAL 176 Ca 0.50 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.56 1pbh s VAL 176 Cb -0.20 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1pbh s VAL 176 CO 0.15 0.01 0.34 -0.31 0.00 0.00 0.00 175.10 175.29 1pbh s TYR 177 N 2.48 3.45 0.60 5.22 1.51 -1.26 -0.38 117.35 128.97 1pbh s TYR 177 Ca 0.25 0.00 0.29 0.00 -1.01 0.00 0.00 57.07 56.60 1pbh s TYR 177 Cb -0.15 -1.58 1.58 0.00 -0.11 0.00 0.00 41.96 41.70 1pbh s TYR 177 CO 0.09 0.46 2.00 0.66 -1.11 0.00 0.00 175.55 177.64 1pbh h SER 178 N 1.36 0.00 0.72 2.29 4.64 -0.99 -1.58 113.55 119.99 1pbh h SER 178 Ca -0.51 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 1pbh h SER 178 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1pbh h SER 178 CO 0.62 0.00 -0.41 -2.24 -0.87 0.00 0.00 176.83 173.94 1pbh h ASP 179 N 0.00 0.00 -0.39 4.97 2.03 -1.86 -3.22 116.42 117.95 1pbh h ASP 179 Ca 0.13 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.34 1pbh h ASP 179 Cb 0.81 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.29 1pbh h ASP 179 CO -0.00 0.41 -0.10 0.15 -1.03 0.00 0.00 179.24 178.66 1pbh h PHE 180 N 0.00 0.92 0.00 4.15 3.57 -1.60 -2.10 116.94 121.88 1pbh h PHE 180 Ca -0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1pbh h PHE 180 Cb 0.88 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1pbh h PHE 180 CO 0.00 0.89 0.17 -0.07 -2.23 0.00 0.00 178.31 177.07 1pbh h LEU 181 N 0.75 0.00 -2.84 0.59 3.38 -1.68 0.13 115.31 115.65 1pbh h LEU 181 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pbh h LEU 181 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1pbh h LEU 181 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1pbh n LEU 182 N -2.76 4.35 -4.75 1.67 4.77 -0.79 -4.45 117.00 115.04 1pbh n LEU 182 Ca -0.02 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.35 1pbh n LEU 182 Cb 0.22 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1pbh n LEU 182 CO 0.14 0.73 0.97 -0.47 -1.33 0.00 0.00 177.39 177.43 1pbh s TYR 183 N -1.84 3.21 0.00 -1.77 6.14 0.46 -1.51 117.35 122.04 1pbh s TYR 183 Ca 0.46 1.32 0.00 0.00 0.64 0.00 0.00 57.07 59.49 1pbh s TYR 183 Cb 0.30 -3.60 0.00 0.00 0.42 0.00 0.00 41.96 39.07 1pbh s TYR 183 CO 0.22 -1.77 0.00 1.63 0.64 0.00 0.00 175.55 176.27 1pbh n LYS 184 N 1.87 0.00 -3.64 4.97 4.76 -0.76 -3.25 118.16 122.11 1pbh n LYS 184 Ca 0.03 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1pbh n LYS 184 Cb 0.42 -0.51 -0.02 0.00 -1.84 0.00 0.00 35.03 33.08 1pbh n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1pbh s SER 185 N -4.81 -0.37 0.00 4.39 1.04 -1.04 -3.56 113.70 109.35 1pbh s SER 185 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1pbh s SER 185 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1pbh s SER 185 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1pbh n GLY 186 N -0.40 -0.86 3.24 7.32 0.00 -1.26 -1.49 105.19 111.73 1pbh n GLY 186 Ca -0.10 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1pbh n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pbh s VAL 187 N 0.00 3.58 0.22 1.61 1.01 0.11 -3.93 120.40 123.00 1pbh s VAL 187 Ca 0.00 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.38 1pbh s VAL 187 Cb 0.00 -3.08 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1pbh s VAL 187 CO 0.00 -0.22 1.67 -0.47 0.00 0.00 0.00 175.10 176.08 1pbh s TYR 188 N 1.35 2.89 -0.12 5.22 5.04 0.21 -3.56 117.35 128.37 1pbh s TYR 188 Ca -0.01 0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 55.06 1pbh s TYR 188 Cb -0.20 -4.10 0.06 0.00 0.35 0.00 0.00 41.96 38.07 1pbh s TYR 188 CO 0.01 -4.03 0.19 -0.65 -1.34 0.00 0.00 175.55 169.73 1pbh s GLN 189 N 0.76 0.09 0.01 4.97 -0.21 -1.26 -1.69 119.66 122.32 1pbh s GLN 189 Ca 0.71 0.49 -0.32 0.00 0.02 0.00 0.00 55.36 56.26 1pbh s GLN 189 Cb -0.49 -0.52 -0.10 0.00 1.00 0.00 0.00 33.01 32.90 1pbh s GLN 189 CO 0.36 -0.40 1.91 1.58 -2.12 0.00 0.00 175.29 176.62 1pbh n HIS 190 N 5.33 2.45 -0.03 0.91 -0.00 -1.26 -4.91 115.22 117.71 1pbh n HIS 190 Ca -0.05 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.72 57.45 1pbh n HIS 190 Cb 0.50 -2.73 -0.01 0.00 -0.00 0.00 0.00 29.99 27.74 1pbh n HIS 190 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1pbh n VAL 191 N 5.20 0.64 -4.22 3.57 0.31 -1.26 -5.10 118.33 117.48 1pbh n VAL 191 Ca 0.21 0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.74 1pbh n VAL 191 Cb 0.36 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 1pbh n VAL 191 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1pbh n THR 192 N -3.29 0.00 0.00 2.52 -2.24 -1.26 -5.14 114.28 104.88 1pbh n THR 192 Ca -0.05 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1pbh n THR 192 Cb 0.19 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1pbh n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pbh n GLY 193 N 1.35 2.84 3.86 3.38 0.00 -1.26 -3.78 105.19 111.58 1pbh n GLY 193 Ca -0.03 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1pbh n GLY 193 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pbh s GLU 194 N -3.92 3.88 -1.25 1.61 -1.05 -1.26 -4.54 118.70 112.16 1pbh s GLU 194 Ca 0.00 0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 55.29 1pbh s GLU 194 Cb 0.00 -2.31 0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1pbh s GLU 194 CO 0.00 -0.07 1.81 1.41 0.95 0.00 0.00 175.26 179.35 1pbh s MET 195 N -3.75 3.44 0.16 -4.83 -2.45 -1.26 -0.44 119.30 110.16 1pbh s MET 195 Ca 0.54 -1.69 -0.25 0.00 -1.25 0.00 0.00 55.69 53.04 1pbh s MET 195 Cb -0.10 -5.43 0.02 0.00 1.25 0.00 0.00 34.83 30.57 1pbh s MET 195 CO 0.28 -2.89 1.59 0.52 1.05 0.00 0.00 175.02 175.57 1pbh h MET 196 N 8.38 -0.30 0.00 4.11 0.00 -1.02 -3.48 114.93 122.62 1pbh h MET 196 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 59.70 60.08 1pbh h MET 196 Cb 0.90 0.07 0.00 0.00 0.00 0.00 0.00 31.60 32.57 1pbh h MET 196 CO 1.37 -0.20 0.00 0.41 0.00 0.00 0.00 176.91 178.49 1pbh n GLY 197 N -1.42 -0.84 3.55 8.32 0.00 -1.09 -4.95 105.19 108.76 1pbh n GLY 197 Ca -0.00 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1pbh n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pbh s GLY 198 N 0.00 1.80 -0.03 -0.02 0.00 -1.23 -0.39 107.32 107.45 1pbh s GLY 198 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.94 1pbh s GLY 198 CO 0.00 0.04 -0.13 -1.58 0.00 0.00 0.00 173.10 171.43 1pbh s HIS 199 N 0.48 1.34 0.51 1.90 5.04 -0.37 -0.01 115.29 124.18 1pbh s HIS 199 Ca -0.00 -0.36 -0.10 0.00 -1.54 0.00 0.00 55.06 53.06 1pbh s HIS 199 Cb -0.13 -0.92 -0.05 0.00 0.04 0.00 0.00 32.58 31.52 1pbh s HIS 199 CO 0.02 -0.12 0.89 0.00 -2.34 0.00 0.00 174.74 173.18 1pbh s ALA 200 N 0.08 3.24 0.30 1.58 0.00 -1.26 -1.33 121.76 124.36 1pbh s ALA 200 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1pbh s ALA 200 Cb -0.10 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 1pbh s ALA 200 CO 0.01 -0.35 0.43 0.96 0.00 0.00 0.00 175.76 176.81 1pbh s ILE 201 N -2.77 0.00 -0.23 0.00 -5.25 0.53 -4.80 121.20 108.68 1pbh s ILE 201 Ca 0.53 -1.59 0.01 0.00 -0.99 0.00 0.00 60.65 58.60 1pbh s ILE 201 Cb -0.10 -2.50 0.06 0.00 2.95 0.00 0.00 42.46 42.87 1pbh s ILE 201 CO 0.42 0.00 -0.05 -0.60 -1.79 0.00 0.00 174.94 172.92 1pbh s ARG 202 N -3.47 1.60 -0.20 0.37 3.52 -1.26 -0.56 118.95 118.96 1pbh s ARG 202 Ca 0.29 -0.96 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 1pbh s ARG 202 Cb 0.00 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1pbh s ARG 202 CO 0.16 -0.59 0.55 0.42 -0.81 0.00 0.00 175.30 175.03 1pbh s ILE 203 N 1.41 5.08 -0.13 4.11 1.01 -0.06 -2.89 121.20 129.74 1pbh s ILE 203 Ca -0.05 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.64 1pbh s ILE 203 Cb -0.19 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1pbh s ILE 203 CO -0.06 0.16 0.19 0.00 0.00 0.00 0.00 174.94 175.23 1pbh n LEU 204 N 4.86 0.34 0.00 2.97 -0.00 -0.79 -1.84 117.00 122.54 1pbh n LEU 204 Ca -0.04 -0.62 -0.00 0.00 -0.00 0.00 0.00 56.01 55.35 1pbh n LEU 204 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1pbh n LEU 204 CO 0.43 0.08 0.11 0.61 -0.00 0.00 0.00 177.39 178.62 1pbh n GLY 205 N 0.83 1.12 3.39 1.47 0.00 -1.05 -1.90 105.19 109.05 1pbh n GLY 205 Ca 0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1pbh n GLY 205 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1pbh n TRP 206 N -0.10 -2.12 -3.73 1.61 2.14 -0.18 -0.15 117.44 114.91 1pbh n TRP 206 Ca -0.00 -1.77 0.00 0.00 2.07 0.00 0.00 57.50 57.79 1pbh n TRP 206 Cb 0.08 0.80 0.00 0.00 -0.81 0.00 0.00 31.31 31.37 1pbh n TRP 206 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1pbh n GLY 207 N -0.50 -0.92 2.83 -1.67 0.00 -0.97 -1.94 105.19 102.02 1pbh n GLY 207 Ca -0.07 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 1pbh n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pbh s VAL 208 N -3.00 0.48 -0.39 1.61 1.01 -1.26 -0.35 120.40 118.50 1pbh s VAL 208 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1pbh s VAL 208 Cb 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 36.38 35.91 1pbh s VAL 208 CO 0.00 0.25 0.17 -0.70 0.00 0.00 0.00 175.10 174.82 1pbh s GLU 209 N 1.56 1.87 -0.58 2.72 2.12 0.14 -4.81 118.70 121.71 1pbh s GLU 209 Ca -0.01 -1.85 -0.14 0.00 0.36 0.00 0.00 54.97 53.33 1pbh s GLU 209 Cb -0.13 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.80 1pbh s GLU 209 CO -0.04 -1.04 0.64 0.27 -0.54 0.00 0.00 175.26 174.56 1pbh n ASN 210 N 4.49 -6.90 0.00 -1.70 6.94 -1.26 -2.28 115.26 114.55 1pbh n ASN 210 Ca -0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1pbh n ASN 210 Cb 0.41 -3.98 0.00 0.00 -2.36 0.00 0.00 39.78 33.85 1pbh n ASN 210 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pbh n GLY 211 N -0.88 0.08 3.08 4.83 0.00 -1.26 -4.91 105.19 106.13 1pbh n GLY 211 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1pbh n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbh s THR 212 N -1.22 2.84 0.53 2.61 2.01 -0.96 -5.09 115.64 116.36 1pbh s THR 212 Ca 0.00 -2.15 -0.22 0.00 0.31 0.00 0.00 61.69 59.63 1pbh s THR 212 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1pbh s THR 212 CO 0.00 -0.62 1.34 -2.16 -0.69 0.00 0.00 174.62 172.49 1pbh s PRO 213 N 1.04 3.25 0.35 4.92 0.04 -1.26 -0.69 135.00 142.66 1pbh s PRO 213 Ca 0.09 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 1pbh s PRO 213 Cb -0.21 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.05 1pbh s PRO 213 CO -0.06 -1.09 0.59 1.52 0.04 0.00 0.00 177.00 178.00 1pbh s TYR 214 N -1.32 0.69 -0.06 0.56 -0.85 0.53 -1.88 117.35 115.03 1pbh s TYR 214 Ca 0.70 -1.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.22 1pbh s TYR 214 Cb -0.39 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 1pbh s TYR 214 CO 0.47 -1.28 -0.23 -1.58 -1.52 0.00 0.00 175.55 171.41 1pbh s TRP 215 N -2.85 2.24 -0.51 -3.49 0.52 -0.63 -2.29 118.94 111.94 1pbh s TRP 215 Ca 0.25 -0.69 -0.21 0.00 0.02 0.00 0.00 56.10 55.46 1pbh s TRP 215 Cb -0.02 -1.48 0.05 0.00 -1.15 0.00 0.00 33.47 30.86 1pbh s TRP 215 CO 0.17 -0.22 0.75 -1.17 0.02 0.00 0.00 176.95 176.49 1pbh s LEU 216 N -0.05 4.56 0.12 2.99 2.96 0.78 -2.59 118.68 127.45 1pbh s LEU 216 Ca -0.05 -0.60 0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1pbh s LEU 216 Cb -0.14 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1pbh s LEU 216 CO 0.04 -0.99 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.14 1pbh s VAL 217 N 3.15 2.04 0.06 1.68 1.01 -0.52 -1.89 120.40 125.93 1pbh s VAL 217 Ca 0.22 -1.70 0.05 0.00 0.00 0.00 0.00 61.98 60.55 1pbh s VAL 217 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1pbh s VAL 217 CO 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.22 1pbh s ALA 218 N -1.17 3.11 0.57 5.51 0.00 -1.14 -0.37 121.76 128.27 1pbh s ALA 218 Ca 0.12 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1pbh s ALA 218 Cb -0.10 -1.10 0.07 0.00 0.00 0.00 0.00 23.12 21.99 1pbh s ALA 218 CO 0.06 0.65 0.66 1.21 0.00 0.00 0.00 175.76 178.34 1pbh s ASN 219 N -1.92 4.93 -0.17 0.00 3.84 0.28 -3.99 114.94 117.91 1pbh s ASN 219 Ca 0.21 -0.99 0.17 0.00 0.21 0.00 0.00 52.86 52.46 1pbh s ASN 219 Cb -0.11 0.36 0.43 0.00 -0.55 0.00 0.00 41.25 41.38 1pbh s ASN 219 CO 0.13 -1.27 1.32 -1.20 -2.79 0.00 0.00 177.10 173.29 1pbh n SER 220 N -2.08 3.15 -2.07 -4.21 7.64 -1.26 -4.04 113.62 110.74 1pbh n SER 220 Ca 0.10 -3.12 -0.25 0.00 1.01 0.00 0.00 58.87 56.60 1pbh n SER 220 Cb 0.63 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1pbh n SER 220 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1pbh n TRP 221 N -0.92 2.83 -0.64 1.43 8.01 -1.21 -0.84 117.44 126.09 1pbh n TRP 221 Ca 0.20 -2.34 0.09 0.00 -1.31 0.00 0.00 57.50 54.14 1pbh n TRP 221 Cb 0.80 -0.44 -0.02 0.00 -2.01 0.00 0.00 31.31 29.64 1pbh n TRP 221 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1pbh n ASN 222 N -0.72 -3.80 -0.41 -0.99 4.05 -0.33 -4.30 115.26 108.76 1pbh n ASN 222 Ca 0.46 0.27 0.14 0.00 0.45 0.00 0.00 54.58 55.89 1pbh n ASN 222 Cb 0.92 -1.94 0.56 0.00 1.23 0.00 0.00 39.78 40.55 1pbh n ASN 222 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1pbh n THR 223 N -2.49 0.00 0.08 -0.44 -2.24 -1.26 -3.84 114.28 104.08 1pbh n THR 223 Ca 0.00 -0.21 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1pbh n THR 223 Cb 0.29 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1pbh n THR 223 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1pbh h ASP 224 N 2.01 0.00 -3.38 3.42 3.04 -1.89 -3.18 116.42 116.44 1pbh h ASP 224 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 1pbh h ASP 224 Cb 0.45 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.70 1pbh h ASP 224 CO 0.00 0.28 0.08 0.86 -2.04 0.00 0.00 179.24 178.42 1pbh s TRP 225 N -3.15 3.81 0.00 4.15 -0.00 -1.25 -4.87 118.94 117.63 1pbh s TRP 225 Ca -0.01 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 1pbh s TRP 225 Cb 0.09 -2.67 0.00 0.00 -0.00 0.00 0.00 33.47 30.89 1pbh s TRP 225 CO 0.80 0.47 0.00 0.41 -0.00 0.00 0.00 176.95 178.63 1pbh n GLY 226 N 1.89 2.61 3.22 5.86 0.00 -1.20 -1.95 105.19 115.63 1pbh n GLY 226 Ca -0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1pbh n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pbh s ASP 227 N -4.00 6.17 -1.58 1.61 2.15 0.06 -4.60 116.67 116.49 1pbh s ASP 227 Ca 0.00 -2.95 -0.03 0.00 0.43 0.00 0.00 52.55 50.00 1pbh s ASP 227 Cb 0.00 -2.05 0.01 0.00 -0.30 0.00 0.00 42.92 40.58 1pbh s ASP 227 CO 0.00 -0.43 0.31 0.59 -0.17 0.00 0.00 175.17 175.47 1pbh n ASN 228 N 3.50 -5.68 0.00 -0.34 3.02 -1.25 -0.93 115.26 113.58 1pbh n ASN 228 Ca 0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1pbh n ASN 228 Cb 0.42 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 1pbh n ASN 228 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pbh n GLY 229 N -1.23 1.58 3.92 7.41 0.00 -0.82 -4.62 105.19 111.42 1pbh n GLY 229 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1pbh n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pbh s PHE 230 N -2.33 3.12 0.15 1.61 0.40 -0.11 -0.56 117.98 120.27 1pbh s PHE 230 Ca 0.00 -0.19 -0.13 0.00 -0.60 0.00 0.00 56.93 56.01 1pbh s PHE 230 Cb 0.00 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1pbh s PHE 230 CO 0.00 0.21 0.37 -0.59 0.70 0.00 0.00 175.22 175.91 1pbh s PHE 231 N -2.17 0.08 -0.10 0.36 -0.12 0.51 -0.76 117.98 115.78 1pbh s PHE 231 Ca 0.40 -0.44 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1pbh s PHE 231 Cb -0.08 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1pbh s PHE 231 CO 0.29 -0.75 -0.20 0.15 -0.05 0.00 0.00 175.22 174.66 1pbh s LYS 232 N -3.89 2.66 0.04 1.99 1.02 -1.25 -1.43 119.74 118.87 1pbh s LYS 232 Ca 0.10 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.42 1pbh s LYS 232 Cb 0.02 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1pbh s LYS 232 CO -0.05 0.09 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.78 1pbh s ILE 233 N 0.56 2.71 -0.29 2.17 2.07 -1.07 0.64 121.20 127.99 1pbh s ILE 233 Ca -0.15 -1.20 -0.41 0.00 -1.41 0.00 0.00 60.65 57.49 1pbh s ILE 233 Cb -0.17 -2.13 -0.16 0.00 0.13 0.00 0.00 42.46 40.14 1pbh s ILE 233 CO 0.05 0.35 1.73 -0.11 -1.91 0.00 0.00 174.94 175.05 1pbh n LEU 234 N 1.60 2.28 -4.94 8.50 7.94 -0.68 -1.60 117.00 130.09 1pbh n LEU 234 Ca -0.16 1.08 -0.24 0.00 -1.11 0.00 0.00 56.01 55.59 1pbh n LEU 234 Cb 0.52 -1.12 -0.01 0.00 0.53 0.00 0.00 43.42 43.34 1pbh n LEU 234 CO 0.26 -0.47 0.18 -0.60 -1.11 0.00 0.00 177.39 175.64 1pbh s ARG 235 N 3.46 3.44 -1.17 1.96 3.52 -0.79 -4.40 118.95 124.97 1pbh s ARG 235 Ca 0.99 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1pbh s ARG 235 Cb -1.10 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1pbh s ARG 235 CO 0.67 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.69 1pbh n GLY 236 N -1.80 0.60 0.42 8.12 0.00 -1.26 -4.80 105.19 106.47 1pbh n GLY 236 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1pbh n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pbh n GLN 237 N -2.41 0.00 -3.81 1.61 6.02 -1.26 -4.97 117.38 112.55 1pbh n GLN 237 Ca -0.13 -0.67 -0.29 0.00 -0.01 0.00 0.00 57.00 55.90 1pbh n GLN 237 Cb 0.51 -0.37 -0.03 0.00 1.02 0.00 0.00 30.24 31.37 1pbh n GLN 237 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1pbh n ASP 238 N 0.00 -2.56 -4.68 1.08 2.03 -1.26 -4.76 116.55 106.40 1pbh n ASP 238 Ca 0.00 -0.67 -0.46 0.00 0.52 0.00 0.00 54.79 54.18 1pbh n ASP 238 Cb 0.62 -2.17 -0.04 0.00 -0.72 0.00 0.00 41.12 38.81 1pbh n ASP 238 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1pbh n HIS 239 N -3.84 2.39 -1.70 -0.67 -0.00 -1.26 -0.62 115.22 109.52 1pbh n HIS 239 Ca 0.05 0.01 -0.15 0.00 -0.00 0.00 0.00 57.72 57.63 1pbh n HIS 239 Cb 0.49 -2.66 -0.05 0.00 -0.00 0.00 0.00 29.99 27.77 1pbh n HIS 239 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pbh n GLY 241 N -0.44 0.68 0.37 0.00 0.00 0.21 -1.94 105.19 104.07 1pbh n GLY 241 Ca -0.16 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.38 1pbh n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pbh h ILE 242 N 0.00 0.83 -0.46 -0.61 6.09 -1.18 -1.64 117.51 120.54 1pbh h ILE 242 Ca -0.08 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 1pbh h ILE 242 Cb 0.32 0.36 -0.00 0.00 0.47 0.00 0.00 36.82 37.97 1pbh h ILE 242 CO 0.12 0.08 0.01 -0.62 -3.07 0.00 0.00 178.15 174.66 1pbh n GLU 243 N -4.48 4.10 -0.03 2.19 1.02 -1.26 -4.46 120.64 117.72 1pbh n GLU 243 Ca 0.13 -3.05 0.05 0.00 -0.02 0.00 0.00 57.16 54.27 1pbh n GLU 243 Cb 0.47 -2.11 0.06 0.00 -0.02 0.00 0.00 31.44 29.84 1pbh n GLU 243 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1pbh n SER 244 N 0.14 2.00 -2.31 1.62 3.41 -0.62 -4.34 113.62 113.53 1pbh n SER 244 Ca 0.26 -1.52 0.01 0.00 -0.26 0.00 0.00 58.87 57.37 1pbh n SER 244 Cb 1.09 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 65.04 1pbh n SER 244 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pbh n GLU 245 N 0.54 1.07 -2.57 4.33 2.13 -1.26 -4.97 120.64 119.90 1pbh n GLU 245 Ca 0.07 -2.93 -0.43 0.00 0.66 0.00 0.00 57.16 54.53 1pbh n GLU 245 Cb 0.28 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 1pbh n GLU 245 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1pbh s VAL 246 N -2.34 4.18 0.02 6.31 -7.23 -1.25 -4.20 120.40 115.89 1pbh s VAL 246 Ca 0.30 1.22 0.05 0.00 -1.81 0.00 0.00 61.98 61.74 1pbh s VAL 246 Cb 0.35 -4.55 -0.03 0.00 0.56 0.00 0.00 36.38 32.71 1pbh s VAL 246 CO -0.09 -0.95 -0.13 0.54 -0.31 0.00 0.00 175.10 174.16 1pbh s VAL 247 N 4.53 3.16 0.21 1.32 0.11 0.13 0.59 120.40 130.45 1pbh s VAL 247 Ca 0.49 -0.99 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1pbh s VAL 247 Cb -0.08 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1pbh s VAL 247 CO 0.31 0.37 0.30 0.00 -3.33 0.00 0.00 175.10 172.76 1pbh s ALA 248 N -0.94 0.35 0.16 1.54 0.00 0.80 -1.74 121.76 121.94 1pbh s ALA 248 Ca 0.16 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1pbh s ALA 248 Cb -0.11 1.15 0.02 0.00 0.00 0.00 0.00 23.12 24.18 1pbh s ALA 248 CO 0.06 -0.71 0.43 0.20 0.00 0.00 0.00 175.76 175.73 1pbh s GLY 249 N -3.06 -0.02 -0.07 0.00 0.00 -1.26 -0.66 107.32 102.25 1pbh s GLY 249 Ca 0.28 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.72 1pbh s GLY 249 CO 0.08 -0.41 -0.21 -0.42 0.00 0.00 0.00 173.10 172.14 1pbh s ILE 250 N -3.87 1.79 0.67 0.90 1.01 -1.21 -5.00 121.20 115.49 1pbh s ILE 250 Ca 0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1pbh s ILE 250 Cb 0.01 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.95 1pbh s ILE 250 CO -0.05 0.50 1.11 -2.84 0.00 0.00 0.00 174.94 173.66 1pbh s PRO 251 N 0.11 2.71 0.05 2.79 0.02 -1.26 0.24 135.00 139.66 1pbh s PRO 251 Ca -0.09 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.01 1pbh s PRO 251 Cb -0.14 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1pbh s PRO 251 CO 0.05 -1.32 1.04 1.03 -0.33 0.00 0.00 177.00 177.47 1pbh s ARG 252 N -4.17 4.55 0.69 5.54 0.52 -1.12 -4.39 118.95 120.58 1pbh s ARG 252 Ca 0.67 1.53 -0.15 0.00 -0.52 0.00 0.00 55.73 57.26 1pbh s ARG 252 Cb -0.20 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1pbh s ARG 252 CO 0.43 -0.05 1.17 -0.08 0.02 0.00 0.00 175.30 176.80 1pbh s THR 253 N 0.75 2.68 0.00 0.02 -1.32 -1.26 -4.98 115.64 111.54 1pbh s THR 253 Ca 0.53 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.34 1pbh s THR 253 Cb -0.24 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 1pbh s THR 253 CO 0.29 -0.18 0.00 -0.67 -2.21 0.00 0.00 174.62 171.85