#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pbh n ARG 1 N 0.00 4.88 0.00 3.17 1.74 -1.26 -5.01 116.66 120.19 3pbh n ARG 1 Ca 0.00 -4.19 0.00 0.00 -0.77 0.00 0.00 57.85 52.89 3pbh n ARG 1 Cb 0.00 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 3pbh n ARG 1 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3pbh n SER 2 N 1.04 0.00 -2.76 0.55 3.41 -1.26 -3.72 113.62 110.87 3pbh n SER 2 Ca 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.06 3pbh n SER 2 Cb 0.28 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3pbh n SER 2 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3pbh n ARG 3 N 0.00 1.51 0.00 4.33 3.00 -1.26 -5.07 116.66 119.17 3pbh n ARG 3 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 57.85 54.82 3pbh n ARG 3 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.31 3pbh n ARG 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3pbh n PRO 4 N -0.60 0.00 -2.75 -0.14 -0.04 -1.24 -4.94 135.00 125.28 3pbh n PRO 4 Ca 0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 3pbh n PRO 4 Cb 0.82 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.25 3pbh n PRO 4 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pbh s SER 5 N -0.35 6.34 0.81 3.54 1.04 -1.26 -5.01 113.70 118.80 3pbh s SER 5 Ca 0.00 -1.21 -0.05 0.00 0.48 0.00 0.00 55.95 55.16 3pbh s SER 5 Cb 0.00 -2.47 0.12 0.00 0.10 0.00 0.00 66.02 63.77 3pbh s SER 5 CO 0.00 -1.45 0.76 0.49 0.98 0.00 0.00 173.24 174.01 3pbh n PHE 6 N 8.02 -3.54 -0.14 5.02 3.72 -1.26 -5.01 117.46 124.26 3pbh n PHE 6 Ca 0.11 -0.95 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 3pbh n PHE 6 Cb 0.48 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3pbh n PHE 6 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 3pbh n HIS 7 N -2.76 -0.37 0.00 1.38 1.44 -1.26 -4.79 115.22 108.86 3pbh n HIS 7 Ca 0.11 0.19 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 3pbh n HIS 7 Cb 0.38 -1.63 0.00 0.00 0.12 0.00 0.00 29.99 28.86 3pbh n HIS 7 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3pbh n PRO 8 N -0.47 0.00 -2.00 -1.40 -0.04 -1.25 -4.90 135.00 124.95 3pbh n PRO 8 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3pbh n PRO 8 Cb 0.00 -0.29 -0.02 0.00 -0.04 0.00 0.00 33.50 33.15 3pbh n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3pbh s LEU 9 N -0.65 4.38 0.65 1.53 2.01 -1.26 -4.98 118.68 120.37 3pbh s LEU 9 Ca 0.00 2.72 -0.16 0.00 0.01 0.00 0.00 54.13 56.70 3pbh s LEU 9 Cb 0.00 -3.63 -0.00 0.00 0.01 0.00 0.00 46.19 42.56 3pbh s LEU 9 CO 0.00 -0.70 1.15 -0.94 1.01 0.00 0.00 176.35 176.87 3pbh s SER 10 N 0.17 4.96 0.60 2.29 1.04 -1.26 -4.88 113.70 116.63 3pbh s SER 10 Ca 0.57 2.17 0.37 0.00 0.48 0.00 0.00 55.95 59.54 3pbh s SER 10 Cb -0.42 -2.57 1.89 0.00 0.10 0.00 0.00 66.02 65.02 3pbh s SER 10 CO 0.47 -1.73 2.19 -0.78 0.98 0.00 0.00 173.24 174.37 3pbh h ASP 11 N 0.23 0.00 -0.80 7.02 3.58 -1.99 -1.66 116.42 122.79 3pbh h ASP 11 Ca -0.48 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 3pbh h ASP 11 Cb 1.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 3pbh h ASP 11 CO 0.53 0.03 0.40 -0.33 -2.88 0.00 0.00 179.24 176.99 3pbh h GLU 12 N 0.00 1.14 -0.16 0.28 4.39 -1.98 0.70 114.58 118.95 3pbh h GLU 12 Ca -0.00 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 3pbh h GLU 12 Cb 0.22 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3pbh h GLU 12 CO 0.00 0.87 -0.34 1.25 -1.16 0.00 0.00 179.01 179.63 3pbh h LEU 13 N 1.13 0.58 -1.02 1.33 5.85 -1.67 0.81 115.31 122.32 3pbh h LEU 13 Ca 0.28 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3pbh h LEU 13 Cb 0.09 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3pbh h LEU 13 CO -0.04 1.03 0.66 0.58 -0.34 0.00 0.00 178.44 180.33 3pbh h VAL 14 N 0.16 1.18 0.02 1.05 2.07 -1.17 -1.63 116.25 117.93 3pbh h VAL 14 Ca 0.00 -0.44 -0.24 0.00 0.82 0.00 0.00 66.70 66.85 3pbh h VAL 14 Cb 0.94 -0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3pbh h VAL 14 CO 0.08 0.23 -1.00 0.78 0.02 0.00 0.00 177.57 177.68 3pbh h ASN 15 N 1.27 0.56 -0.51 0.57 2.35 0.46 -2.32 115.58 117.97 3pbh h ASN 15 Ca 0.39 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3pbh h ASN 15 Cb -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3pbh h ASN 15 CO -0.12 1.28 0.13 0.22 -1.65 0.00 0.00 177.43 177.29 3pbh h TYR 16 N 0.22 0.85 -0.57 1.19 3.20 -0.36 0.28 116.97 121.79 3pbh h TYR 16 Ca -0.09 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 3pbh h TYR 16 Cb 1.65 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 3pbh h TYR 16 CO 0.07 0.75 0.16 0.28 -1.64 0.00 0.00 178.16 177.78 3pbh h VAL 17 N 0.70 1.24 -0.16 1.81 2.07 -1.36 0.18 116.25 120.75 3pbh h VAL 17 Ca 0.16 -0.84 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 3pbh h VAL 17 Cb 0.33 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3pbh h VAL 17 CO 0.00 0.31 -0.45 0.78 0.02 0.00 0.00 177.57 178.23 3pbh h ASN 18 N 0.80 0.41 0.69 0.57 2.35 -1.12 -2.20 115.58 117.08 3pbh h ASN 18 Ca 0.18 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3pbh h ASN 18 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3pbh h ASN 18 CO -0.00 0.81 -0.38 0.11 -1.65 0.00 0.00 177.43 176.32 3pbh h LYS 19 N 0.31 0.00 0.00 0.81 1.79 -0.20 -2.63 116.57 116.66 3pbh h LYS 19 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3pbh h LYS 19 Cb 0.92 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3pbh h LYS 19 CO 0.08 0.38 -0.03 0.00 -1.08 0.00 0.00 179.45 178.79 3pbh h ARG 20 N 0.00 0.00 -5.92 3.15 2.47 -0.30 -3.47 114.38 110.31 3pbh h ARG 20 Ca -0.00 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.43 3pbh h ARG 20 Cb 0.82 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.21 3pbh h ARG 20 CO 0.05 0.03 -0.69 -1.71 0.56 0.00 0.00 179.97 178.21 3pbh n ASN 21 N -3.97 -6.20 -0.82 7.04 4.05 -0.99 -5.02 115.26 109.34 3pbh n ASN 21 Ca -0.03 -0.69 0.00 0.00 0.45 0.00 0.00 54.58 54.31 3pbh n ASN 21 Cb 0.12 -4.02 0.00 0.00 1.23 0.00 0.00 39.78 37.11 3pbh n ASN 21 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3pbh n THR 22 N -3.12 0.00 1.71 -0.44 -2.24 -1.26 -5.01 114.28 103.92 3pbh n THR 22 Ca -0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3pbh n THR 22 Cb 0.59 -0.71 0.02 0.00 -2.10 0.00 0.00 70.33 68.12 3pbh n THR 22 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3pbh n THR 23 N -0.29 0.08 -3.72 4.28 -2.24 -1.26 -4.82 114.28 106.30 3pbh n THR 23 Ca 0.00 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 3pbh n THR 23 Cb 0.00 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 3pbh n THR 23 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3pbh s TRP 24 N -1.82 -0.06 -0.04 4.78 1.48 -1.22 0.33 118.94 122.39 3pbh s TRP 24 Ca 0.03 -0.29 0.04 0.00 -1.06 0.00 0.00 56.10 54.82 3pbh s TRP 24 Cb 0.02 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.43 3pbh s TRP 24 CO 0.02 -0.63 -0.14 -0.65 -4.06 0.00 0.00 176.95 171.49 3pbh s GLN 25 N -3.77 2.47 0.15 3.25 1.11 -0.97 -4.87 119.66 117.02 3pbh s GLN 25 Ca 0.03 -0.72 -0.08 0.00 0.01 0.00 0.00 55.36 54.61 3pbh s GLN 25 Cb 0.03 -2.37 -0.06 0.00 -1.01 0.00 0.00 33.01 29.60 3pbh s GLN 25 CO -0.11 0.62 0.43 0.00 0.01 0.00 0.00 175.29 176.23 3pbh s ALA 26 N -0.76 3.71 0.19 6.09 0.00 -1.26 -2.55 121.76 127.18 3pbh s ALA 26 Ca 0.12 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3pbh s ALA 26 Cb -0.11 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.80 3pbh s ALA 26 CO 0.01 0.60 0.55 0.20 0.00 0.00 0.00 175.76 177.12 3pbh s GLY 27 N -2.22 -0.23 -0.49 0.00 0.00 0.11 -4.92 107.32 99.56 3pbh s GLY 27 Ca 0.40 -0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.81 3pbh s GLY 27 CO 0.22 -0.15 1.00 0.30 0.00 0.00 0.00 173.10 174.47 3pbh s HIS 28 N -3.84 2.85 0.01 1.90 3.76 -1.26 -4.47 115.29 114.23 3pbh s HIS 28 Ca 0.07 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.43 3pbh s HIS 28 Cb -0.01 -4.14 -0.24 0.00 1.11 0.00 0.00 32.58 29.29 3pbh s HIS 28 CO -0.05 -1.23 0.88 -0.91 -0.85 0.00 0.00 174.74 172.58 3pbh h ASN 29 N 9.20 0.13 -3.48 1.40 2.35 -1.85 -3.47 115.58 119.86 3pbh h ASN 29 Ca -0.24 -0.20 -0.68 0.00 -0.55 0.00 0.00 56.30 54.64 3pbh h ASN 29 Cb 1.07 -0.04 -0.30 0.00 0.05 0.00 0.00 38.32 39.09 3pbh h ASN 29 CO 1.07 1.17 -0.84 -0.36 -1.65 0.00 0.00 177.43 176.82 3pbh s PHE 30 N -2.63 2.62 0.09 1.19 0.40 -1.26 -4.90 117.98 113.49 3pbh s PHE 30 Ca -0.05 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.46 3pbh s PHE 30 Cb 0.08 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 3pbh s PHE 30 CO 0.83 -0.30 -0.07 0.71 0.70 0.00 0.00 175.22 177.09 3pbh s TYR 31 N 0.21 0.86 0.00 0.36 1.51 -1.26 -3.84 117.35 115.19 3pbh s TYR 31 Ca -0.13 -0.83 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 3pbh s TYR 31 Cb -0.16 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 3pbh s TYR 31 CO 0.07 -0.13 0.00 0.27 -1.11 0.00 0.00 175.55 174.65 3pbh n ASN 32 N 0.24 0.00 -0.78 2.29 6.94 -1.26 -4.39 115.26 118.31 3pbh n ASN 32 Ca -0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.33 3pbh n ASN 32 Cb 0.60 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.01 3pbh n ASN 32 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3pbh n VAL 33 N 0.00 0.23 -2.80 3.53 0.24 -1.26 -4.15 118.33 114.11 3pbh n VAL 33 Ca 0.00 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 3pbh n VAL 33 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3pbh n VAL 33 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3pbh s ASP 34 N -0.12 6.70 0.59 -1.34 2.15 -1.23 -4.51 116.67 118.91 3pbh s ASP 34 Ca 0.13 1.40 0.29 0.00 0.43 0.00 0.00 52.55 54.80 3pbh s ASP 34 Cb -0.18 -2.43 1.72 0.00 -0.30 0.00 0.00 42.92 41.72 3pbh s ASP 34 CO 0.10 -0.39 2.17 -0.03 -0.17 0.00 0.00 175.17 176.85 3pbh h MET 35 N 1.56 0.00 0.14 4.34 1.85 -1.94 -2.03 114.93 118.84 3pbh h MET 35 Ca -0.48 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.61 3pbh h MET 35 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 3pbh h MET 35 CO 0.63 0.00 -0.07 1.03 -0.40 0.00 0.00 176.91 178.10 3pbh h SER 36 N 0.00 -0.16 -0.96 1.39 0.87 -1.96 -2.72 113.55 110.02 3pbh h SER 36 Ca 0.05 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3pbh h SER 36 Cb 0.26 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.20 3pbh h SER 36 CO -0.00 -0.08 0.61 0.22 -0.53 0.00 0.00 176.83 177.04 3pbh h TYR 37 N -0.21 1.12 0.00 2.24 3.20 -1.59 -1.72 116.97 120.01 3pbh h TYR 37 Ca -0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3pbh h TYR 37 Cb 0.16 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3pbh h TYR 37 CO -0.06 0.56 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.82 3pbh h LEU 38 N 1.09 0.00 0.03 2.82 3.38 -1.31 -2.04 115.31 119.27 3pbh h LEU 38 Ca 0.42 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.09 3pbh h LEU 38 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3pbh h LEU 38 CO -0.18 0.13 -1.69 0.11 0.09 0.00 0.00 178.44 176.89 3pbh h LYS 39 N 0.00 0.06 0.00 1.13 1.57 -1.22 -3.27 116.57 114.83 3pbh h LYS 39 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3pbh h LYS 39 Cb 0.32 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3pbh h LYS 39 CO 0.02 0.68 0.00 -0.09 -0.57 0.00 0.00 179.45 179.49 3pbh h ARG 40 N 0.02 0.00 -0.09 3.15 2.43 -0.81 -2.16 114.38 116.91 3pbh h ARG 40 Ca -0.29 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 3pbh h ARG 40 Cb 2.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 3pbh h ARG 40 CO 0.09 0.00 -0.59 -0.07 -1.51 0.00 0.00 179.97 177.89 3pbh h LEU 41 N 0.00 0.35 -7.64 3.80 4.07 -1.44 -2.38 115.31 112.07 3pbh h LEU 41 Ca 0.00 -0.20 -0.76 0.00 0.08 0.00 0.00 57.88 57.01 3pbh h LEU 41 Cb 0.26 -0.10 -0.21 0.00 1.08 0.00 0.00 40.66 41.69 3pbh h LEU 41 CO 0.00 0.86 1.10 0.00 -1.08 0.00 0.00 178.44 179.32 3pbh n GLY 43 N 3.62 5.90 3.05 0.00 0.00 -1.14 -4.24 105.19 112.37 3pbh n GLY 43 Ca 0.33 -2.40 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 3pbh n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3pbh s THR 44 N -4.86 1.18 -0.30 2.61 2.01 -0.95 -2.57 115.64 112.76 3pbh s THR 44 Ca 0.61 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 3pbh s THR 44 Cb 0.48 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3pbh s THR 44 CO -0.07 0.36 0.45 -0.36 -0.69 0.00 0.00 174.62 174.31 3pbh s PHE 45 N 0.47 3.22 0.62 4.92 0.08 -0.75 -3.53 117.98 123.01 3pbh s PHE 45 Ca -0.11 0.33 -0.12 0.00 0.12 0.00 0.00 56.93 57.15 3pbh s PHE 45 Cb -0.14 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3pbh s PHE 45 CO 0.03 -0.37 1.03 -0.51 -0.10 0.00 0.00 175.22 175.30 3pbh s LEU 46 N 2.22 3.28 -1.28 -0.37 1.43 -1.26 -3.73 118.68 118.98 3pbh s LEU 46 Ca 0.17 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 3pbh s LEU 46 Cb -0.16 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.58 3pbh s LEU 46 CO 0.11 -0.92 0.08 0.61 0.23 0.00 0.00 176.35 176.46 3pbh n GLY 47 N -2.44 -0.25 0.00 -3.19 0.00 -1.26 -5.01 105.19 93.04 3pbh n GLY 47 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3pbh n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pbh n GLY 48 N -1.07 0.90 3.77 -0.02 0.00 -1.24 -5.01 105.19 102.51 3pbh n GLY 48 Ca -0.16 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3pbh n GLY 48 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3pbh s PRO 49 N 1.03 3.97 0.21 1.61 0.01 -1.26 -5.04 135.00 135.54 3pbh s PRO 49 Ca 0.00 1.71 0.06 0.00 0.01 0.00 0.00 61.00 62.78 3pbh s PRO 49 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 34.50 31.95 3pbh s PRO 49 CO 0.00 -0.36 0.21 0.15 0.01 0.00 0.00 177.00 177.01 3pbh s LYS 50 N -2.51 3.03 0.51 5.54 1.02 -1.26 -4.52 119.74 121.55 3pbh s LYS 50 Ca 0.60 -0.92 -0.19 0.00 0.02 0.00 0.00 55.97 55.48 3pbh s LYS 50 Cb -0.27 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 3pbh s LYS 50 CO 0.34 0.44 1.02 -2.14 -0.92 0.00 0.00 175.35 174.09 3pbh s PRO 51 N -3.58 3.76 0.22 -1.68 0.02 -1.26 -4.94 135.00 127.53 3pbh s PRO 51 Ca 0.33 1.22 -0.10 0.00 0.02 0.00 0.00 61.00 62.46 3pbh s PRO 51 Cb -0.09 -2.10 0.33 0.00 0.02 0.00 0.00 34.50 32.66 3pbh s PRO 51 CO 0.25 -0.45 1.66 -1.35 -0.33 0.00 0.00 177.00 176.78 3pbh h PRO 52 N 1.20 0.11 -7.18 5.54 0.11 -1.98 -3.44 132.00 126.36 3pbh h PRO 52 Ca -0.48 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.15 3pbh h PRO 52 Cb 1.21 -0.02 0.09 0.00 0.11 0.00 0.00 31.00 32.39 3pbh h PRO 52 CO 0.59 0.07 0.14 -0.65 -0.21 0.00 0.00 178.00 177.94 3pbh s GLN 53 N -6.14 1.48 -0.30 1.05 -0.21 -1.26 -5.03 119.66 109.25 3pbh s GLN 53 Ca -0.13 -1.14 -0.05 0.00 0.02 0.00 0.00 55.36 54.05 3pbh s GLN 53 Cb 0.20 -2.29 0.18 0.00 1.00 0.00 0.00 33.01 32.10 3pbh s GLN 53 CO 0.74 -1.61 0.71 0.50 -2.12 0.00 0.00 175.29 173.52 3pbh s ARG 54 N -5.23 0.48 0.45 2.91 3.52 -1.26 -2.28 118.95 117.54 3pbh s ARG 54 Ca 0.68 0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 57.16 3pbh s ARG 54 Cb -0.04 0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 33.83 3pbh s ARG 54 CO 0.46 -0.47 0.72 0.14 -0.81 0.00 0.00 175.30 175.33 3pbh s VAL 55 N 2.86 4.73 0.25 7.11 -7.23 -0.12 -4.92 120.40 123.09 3pbh s VAL 55 Ca 0.13 -0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 3pbh s VAL 55 Cb -0.13 -3.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.02 3pbh s VAL 55 CO -0.19 -0.67 0.48 -0.32 -0.31 0.00 0.00 175.10 174.10 3pbh s MET 56 N -4.62 1.55 -0.09 4.82 1.75 -1.26 -3.29 119.30 118.16 3pbh s MET 56 Ca 0.46 -1.24 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 3pbh s MET 56 Cb -0.10 0.47 0.02 0.00 2.84 0.00 0.00 34.83 38.06 3pbh s MET 56 CO 0.42 -0.65 -0.10 -0.06 -0.65 0.00 0.00 175.02 173.98 3pbh s PHE 57 N -4.01 1.47 -0.33 4.11 0.40 -1.26 -5.05 117.98 113.32 3pbh s PHE 57 Ca 0.22 -0.64 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3pbh s PHE 57 Cb -0.01 -1.15 0.45 0.00 0.51 0.00 0.00 43.02 42.83 3pbh s PHE 57 CO 0.09 -0.39 1.19 2.41 0.70 0.00 0.00 175.22 179.22 3pbh n THR 58 N 4.35 2.52 -4.24 0.64 -1.04 -1.26 -4.99 114.28 110.26 3pbh n THR 58 Ca -0.18 -4.34 -0.17 0.00 -2.04 0.00 0.00 64.05 57.32 3pbh n THR 58 Cb 0.51 -1.16 -0.15 0.00 -1.82 0.00 0.00 70.33 67.71 3pbh n THR 58 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3pbh s GLU 59 N -3.59 0.57 -1.06 -2.82 -1.05 -1.26 -5.05 118.70 104.44 3pbh s GLU 59 Ca 0.51 -0.23 -0.23 0.00 -0.15 0.00 0.00 54.97 54.87 3pbh s GLU 59 Cb 0.41 -0.56 -0.12 0.00 -0.44 0.00 0.00 34.13 33.42 3pbh s GLU 59 CO -0.01 0.13 1.93 -0.25 0.95 0.00 0.00 175.26 178.02 3pbh n ASP 60 N 3.02 2.76 -4.78 0.83 9.92 -1.26 -4.91 116.55 122.13 3pbh n ASP 60 Ca -0.14 -2.67 -0.36 0.00 -0.53 0.00 0.00 54.79 51.08 3pbh n ASP 60 Cb 0.57 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 3pbh n ASP 60 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3pbh s LEU 61 N 9.32 3.99 -0.66 0.64 1.43 -1.26 -4.98 118.68 127.15 3pbh s LEU 61 Ca 0.67 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.87 3pbh s LEU 61 Cb 0.02 -4.31 0.17 0.00 0.03 0.00 0.00 46.19 42.11 3pbh s LEU 61 CO 0.15 -0.85 0.55 -0.54 0.23 0.00 0.00 176.35 175.88 3pbh s LYS 62 N -2.79 2.97 0.08 1.70 1.02 -1.26 -5.06 119.74 116.40 3pbh s LYS 62 Ca 0.64 -2.27 -0.14 0.00 0.02 0.00 0.00 55.97 54.22 3pbh s LYS 62 Cb -0.25 -4.08 -0.06 0.00 -0.52 0.00 0.00 37.83 32.91 3pbh s LYS 62 CO 0.31 -1.23 0.47 -0.51 -0.92 0.00 0.00 175.35 173.46 3pbh s LEU 1 N 0.46 4.40 0.86 3.17 1.02 -1.26 -5.08 118.68 122.25 3pbh s LEU 1 Ca 0.14 0.98 -0.12 0.00 0.02 0.00 0.00 54.13 55.14 3pbh s LEU 1 Cb -0.18 -2.96 0.09 0.00 0.02 0.00 0.00 46.19 43.16 3pbh s LEU 1 CO -0.04 0.20 1.05 -2.65 0.02 0.00 0.00 176.35 174.93 3pbh n PRO 2 N 1.21 -0.09 0.02 1.29 -0.02 -1.26 -4.92 135.00 131.23 3pbh n PRO 2 Ca -0.09 0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.40 3pbh n PRO 2 Cb 0.52 -2.31 0.21 0.00 -0.02 0.00 0.00 33.50 31.90 3pbh n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3pbh h ALA 3 N -1.30 1.12 -2.28 3.55 0.00 -1.98 -3.44 119.26 114.93 3pbh h ALA 3 Ca -0.45 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 3pbh h ALA 3 Cb 1.29 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 3pbh h ALA 3 CO 0.43 0.55 -0.68 -1.54 0.00 0.00 0.00 179.25 178.01 3pbh s SER 4 N -6.81 0.69 -0.09 0.00 1.04 -1.26 -4.37 113.70 102.90 3pbh s SER 4 Ca -0.07 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.00 3pbh s SER 4 Cb 0.14 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.53 3pbh s SER 4 CO 0.79 -0.59 0.77 0.12 0.98 0.00 0.00 173.24 175.31 3pbh s PHE 5 N -3.84 -0.58 -0.26 5.02 2.19 0.89 -4.94 117.98 116.46 3pbh s PHE 5 Ca 0.13 1.02 -0.02 0.00 0.33 0.00 0.00 56.93 58.39 3pbh s PHE 5 Cb 0.07 0.42 0.12 0.00 -1.31 0.00 0.00 43.02 42.32 3pbh s PHE 5 CO -0.05 -0.52 0.28 0.34 1.83 0.00 0.00 175.22 177.10 3pbh s ASP 6 N -1.10 1.38 0.58 6.13 -1.08 -1.26 -1.37 116.67 119.95 3pbh s ASP 6 Ca -0.08 -0.44 0.30 0.00 -0.52 0.00 0.00 52.55 51.81 3pbh s ASP 6 Cb -0.00 0.55 1.39 0.00 -1.46 0.00 0.00 42.92 43.40 3pbh s ASP 6 CO 0.07 -0.36 1.76 0.00 0.52 0.00 0.00 175.17 177.17 3pbh h ALA 7 N 8.27 2.51 -0.36 3.66 0.00 -1.67 0.19 119.26 131.86 3pbh h ALA 7 Ca -0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3pbh h ALA 7 Cb 1.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3pbh h ALA 7 CO 0.31 -1.06 -0.13 0.00 0.00 0.00 0.00 179.25 178.37 3pbh h ARG 8 N 0.00 0.64 0.01 0.00 3.08 -1.85 -0.31 114.38 115.95 3pbh h ARG 8 Ca 0.33 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3pbh h ARG 8 Cb 1.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3pbh h ARG 8 CO -0.00 0.75 -0.01 0.93 -1.07 0.00 0.00 179.97 180.57 3pbh h GLU 9 N 0.58 -0.02 -0.88 0.04 5.08 -1.05 -3.15 114.58 115.19 3pbh h GLU 9 Ca 0.10 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3pbh h GLU 9 Cb 0.56 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 3pbh h GLU 9 CO 0.04 0.77 0.53 0.37 -1.00 0.00 0.00 179.01 179.71 3pbh h GLN 10 N -0.88 0.89 -2.36 2.33 5.75 -1.44 -3.22 115.11 116.17 3pbh h GLN 10 Ca -0.00 -0.05 -0.60 0.00 -0.15 0.00 0.00 58.65 57.84 3pbh h GLN 10 Cb 0.79 -0.20 -0.42 0.00 1.07 0.00 0.00 27.48 28.72 3pbh h GLN 10 CO 0.00 0.59 -0.60 0.91 -2.65 0.00 0.00 178.83 177.08 3pbh n TRP 11 N -4.66 3.48 0.28 3.99 8.01 -0.13 -4.90 117.44 123.51 3pbh n TRP 11 Ca 0.14 -4.17 0.15 0.00 -1.31 0.00 0.00 57.50 52.31 3pbh n TRP 11 Cb 0.25 -0.56 0.83 0.00 -2.01 0.00 0.00 31.31 29.82 3pbh n TRP 11 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3pbh h PRO 12 N 4.41 0.00 -0.00 -0.99 0.13 -1.56 -2.68 132.00 131.31 3pbh h PRO 12 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3pbh h PRO 12 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3pbh h PRO 12 CO 0.81 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 3pbh n GLN 13 N -3.61 1.04 -3.58 0.86 0.00 -1.26 -4.51 117.38 106.31 3pbh n GLN 13 Ca -0.02 -0.05 -0.39 0.00 0.00 0.00 0.00 57.00 56.54 3pbh n GLN 13 Cb 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.86 3pbh n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3pbh h PRO 15 N 6.79 0.34 0.00 0.00 0.13 -1.86 -2.16 132.00 135.24 3pbh h PRO 15 Ca 0.08 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3pbh h PRO 15 Cb 0.92 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 3pbh h PRO 15 CO 0.79 0.23 -0.12 1.79 -0.23 0.00 0.00 178.00 180.46 3pbh h THR 16 N 0.35 1.05 -0.18 1.56 1.35 -1.93 -2.79 112.91 112.32 3pbh h THR 16 Ca 0.64 -0.40 0.05 0.00 -0.55 0.00 0.00 66.41 66.15 3pbh h THR 16 Cb 1.67 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3pbh h THR 16 CO -0.35 0.11 0.19 0.40 -0.25 0.00 0.00 175.52 175.63 3pbh h ILE 17 N 0.00 0.51 0.02 6.82 2.04 -1.75 -2.11 117.51 123.04 3pbh h ILE 17 Ca -0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.57 3pbh h ILE 17 Cb 0.21 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3pbh h ILE 17 CO 0.01 0.00 -1.66 0.11 0.00 0.00 0.00 178.15 176.62 3pbh h LYS 18 N 0.00 0.04 -6.75 2.37 1.57 -1.69 -3.46 116.57 108.65 3pbh h LYS 18 Ca 0.08 -0.06 -0.57 0.00 -1.87 0.00 0.00 60.65 58.23 3pbh h LYS 18 Cb 0.46 0.02 0.14 0.00 0.08 0.00 0.00 32.23 32.93 3pbh h LYS 18 CO -0.00 0.64 0.27 -1.91 -0.57 0.00 0.00 179.45 177.87 3pbh n GLU 19 N -3.13 1.43 -4.82 3.15 2.13 -0.79 -5.03 120.64 113.57 3pbh n GLU 19 Ca -0.17 0.52 -0.27 0.00 0.66 0.00 0.00 57.16 57.90 3pbh n GLU 19 Cb 1.04 -2.19 -0.17 0.00 0.27 0.00 0.00 31.44 30.40 3pbh n GLU 19 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3pbh s ILE 20 N -1.31 1.46 0.44 6.31 -1.09 -1.26 -5.05 121.20 120.70 3pbh s ILE 20 Ca 0.66 -0.69 0.07 0.00 -2.23 0.00 0.00 60.65 58.46 3pbh s ILE 20 Cb -0.51 -1.28 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 3pbh s ILE 20 CO 0.55 0.42 0.34 -0.13 -1.23 0.00 0.00 174.94 174.89 3pbh s ARG 21 N 0.39 2.40 -0.06 2.79 0.52 -1.26 -4.80 118.95 118.91 3pbh s ARG 21 Ca -0.12 -1.71 0.02 0.00 -0.52 0.00 0.00 55.73 53.40 3pbh s ARG 21 Cb -0.15 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.11 3pbh s ARG 21 CO 0.05 -0.27 -0.11 0.34 0.02 0.00 0.00 175.30 175.32 3pbh s ASP 22 N -4.11 1.71 0.00 0.23 2.15 -1.26 -2.69 116.67 112.70 3pbh s ASP 22 Ca 0.44 -0.28 0.27 0.00 0.43 0.00 0.00 52.55 53.40 3pbh s ASP 22 Cb -0.01 -0.79 0.91 0.00 -0.30 0.00 0.00 42.92 42.73 3pbh s ASP 22 CO 0.25 0.02 1.67 0.00 -0.17 0.00 0.00 175.17 176.95 3pbh n GLN 23 N 3.86 0.48 0.00 4.34 10.64 -0.93 -4.93 117.38 130.85 3pbh n GLN 23 Ca -0.23 -0.22 0.00 0.00 -1.83 0.00 0.00 57.00 54.72 3pbh n GLN 23 Cb 0.52 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 3pbh n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3pbh n GLY 24 N 1.38 -0.28 2.71 2.61 0.00 -1.26 -3.41 105.19 106.93 3pbh n GLY 24 Ca 0.11 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3pbh n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3pbh n SER 25 N -2.02 5.01 -3.67 1.61 7.64 -1.26 -4.80 113.62 116.13 3pbh n SER 25 Ca 0.00 -2.92 -0.11 0.00 1.01 0.00 0.00 58.87 56.86 3pbh n SER 25 Cb 0.00 -1.57 -0.08 0.00 -1.01 0.00 0.00 64.21 61.54 3pbh n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3pbh n GLY 27 N 3.63 4.61 1.16 0.00 0.00 0.23 -4.56 105.19 110.25 3pbh n GLY 27 Ca -0.18 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.13 3pbh n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pbh n SER 28 N 4.27 4.24 -0.02 1.61 3.41 -1.26 -3.42 113.62 122.45 3pbh n SER 28 Ca 0.56 -3.05 0.04 0.00 -0.26 0.00 0.00 58.87 56.16 3pbh n SER 28 Cb 0.33 -0.59 0.41 0.00 -0.26 0.00 0.00 64.21 64.10 3pbh n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pbh h TRP 30 N 0.59 0.27 0.15 0.00 5.08 -1.83 -0.39 115.95 119.82 3pbh h TRP 30 Ca 0.16 0.01 -0.33 0.00 1.08 0.00 0.00 58.89 59.81 3pbh h TRP 30 Cb -0.06 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.01 3pbh h TRP 30 CO 0.00 0.14 -1.65 0.00 -1.28 0.00 0.00 178.44 175.64 3pbh h ALA 31 N 1.77 0.23 -0.09 0.11 0.00 -1.38 -3.32 119.26 116.57 3pbh h ALA 31 Ca 0.21 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3pbh h ALA 31 Cb 0.48 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3pbh h ALA 31 CO -0.04 1.09 0.03 0.74 0.00 0.00 0.00 179.25 181.07 3pbh h PHE 32 N 0.09 0.14 -0.75 0.00 0.04 -0.05 -1.13 116.94 115.28 3pbh h PHE 32 Ca -0.30 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.55 3pbh h PHE 32 Cb 2.06 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 40.12 3pbh h PHE 32 CO 0.08 0.28 0.49 0.78 -0.60 0.00 0.00 178.31 179.34 3pbh h GLY 33 N -0.03 0.95 0.41 -1.45 0.00 -1.29 -0.95 103.07 100.71 3pbh h GLY 33 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3pbh h GLY 33 CO -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 176.54 176.58 3pbh h ALA 34 N 1.62 -0.33 -0.28 3.60 0.00 -1.58 -2.60 119.26 119.69 3pbh h ALA 34 Ca 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3pbh h ALA 34 Cb 0.46 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3pbh h ALA 34 CO -0.13 -0.39 0.06 -0.39 0.00 0.00 0.00 179.25 178.41 3pbh h VAL 35 N -0.92 1.14 0.44 0.00 -1.51 -1.00 -0.66 116.25 113.73 3pbh h VAL 35 Ca -0.03 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 3pbh h VAL 35 Cb 0.49 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3pbh h VAL 35 CO 0.06 0.17 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.02 3pbh h GLU 36 N 0.39 -0.57 -0.42 5.19 5.08 -1.25 0.13 114.58 123.13 3pbh h GLU 36 Ca 0.09 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3pbh h GLU 36 Cb 0.16 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3pbh h GLU 36 CO -0.00 -0.28 0.28 0.00 -1.00 0.00 0.00 179.01 178.00 3pbh h ALA 37 N -0.36 1.79 -0.25 3.43 0.00 -1.27 -1.58 119.26 121.02 3pbh h ALA 37 Ca -0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3pbh h ALA 37 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3pbh h ALA 37 CO 0.10 0.16 -0.29 0.82 0.00 0.00 0.00 179.25 180.05 3pbh h ILE 38 N 0.48 1.31 -0.24 0.00 2.04 -0.94 -0.98 117.51 119.18 3pbh h ILE 38 Ca 0.16 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3pbh h ILE 38 Cb 0.06 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3pbh h ILE 38 CO -0.04 0.46 0.13 0.28 0.00 0.00 0.00 178.15 178.98 3pbh h SER 39 N 0.36 0.20 -0.25 1.72 0.02 0.01 -0.38 113.55 115.23 3pbh h SER 39 Ca 0.04 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3pbh h SER 39 Cb 0.86 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3pbh h SER 39 CO 0.07 0.15 0.10 0.44 -1.14 0.00 0.00 176.83 176.45 3pbh h ASP 40 N 0.27 0.13 0.12 3.07 5.19 -1.24 -2.70 116.42 121.26 3pbh h ASP 40 Ca 0.10 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3pbh h ASP 40 Cb 0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3pbh h ASP 40 CO -0.06 0.10 -0.22 0.03 -3.12 0.00 0.00 179.24 175.98 3pbh h ARG 41 N 0.22 0.18 0.55 3.56 3.08 -0.75 -1.09 114.38 120.14 3pbh h ARG 41 Ca 0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3pbh h ARG 41 Cb 0.06 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3pbh h ARG 41 CO -0.10 0.40 -0.27 0.82 -1.07 0.00 0.00 179.97 179.75 3pbh h ILE 42 N 0.17 0.45 -0.90 2.04 2.04 -0.75 0.23 117.51 120.78 3pbh h ILE 42 Ca 0.03 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3pbh h ILE 42 Cb 0.48 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3pbh h ILE 42 CO 0.03 0.01 0.56 0.00 0.00 0.00 0.00 178.15 178.75 3pbh h ILE 44 N 1.00 1.17 0.00 0.00 2.04 -0.88 -0.65 117.51 120.19 3pbh h ILE 44 Ca 0.40 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3pbh h ILE 44 Cb 0.22 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3pbh h ILE 44 CO -0.19 0.26 0.00 0.45 0.00 0.00 0.00 178.15 178.67 3pbh h HIS 45 N -0.62 0.00 -0.51 1.37 3.86 -0.37 0.11 115.15 118.99 3pbh h HIS 45 Ca -0.01 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 3pbh h HIS 45 Cb 0.51 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 3pbh h HIS 45 CO 0.09 0.00 0.08 0.25 0.86 0.00 0.00 177.93 179.21 3pbh n THR 46 N -2.85 2.66 -0.64 2.45 -2.24 -0.38 -5.00 114.28 108.28 3pbh n THR 46 Ca 0.02 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 3pbh n THR 46 Cb 0.34 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3pbh n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3pbh n ASN 47 N -0.13 0.00 0.00 3.42 5.03 0.40 -2.91 115.26 121.07 3pbh n ASN 47 Ca 0.30 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.75 3pbh n ASN 47 Cb 1.15 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.91 3pbh n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3pbh n ALA 48 N 0.12 0.00 0.26 5.41 0.00 -0.30 -4.89 120.51 121.11 3pbh n ALA 48 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3pbh n ALA 48 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 3pbh n ALA 48 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3pbh h HIS 49 N 0.00 0.00 -3.29 0.00 2.07 -1.81 -3.41 115.15 108.72 3pbh h HIS 49 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 3pbh h HIS 49 Cb 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 29.63 3pbh h HIS 49 CO 0.00 0.12 -0.83 0.08 -3.07 0.00 0.00 177.93 174.23 3pbh s VAL 50 N -4.00 1.39 -0.20 6.12 1.01 -1.26 -5.09 120.40 118.37 3pbh s VAL 50 Ca -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3pbh s VAL 50 Cb 0.12 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.29 3pbh s VAL 50 CO 0.58 0.42 0.06 -0.55 0.00 0.00 0.00 175.10 175.61 3pbh s SER 51 N 1.00 2.82 0.09 3.32 0.15 -1.26 -3.25 113.70 116.56 3pbh s SER 51 Ca -0.07 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 55.79 3pbh s SER 51 Cb -0.15 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3pbh s SER 51 CO -0.01 -0.34 -0.09 0.68 1.20 0.00 0.00 173.24 174.68 3pbh s VAL 52 N 1.96 0.87 -0.41 4.45 -7.23 -1.26 -5.08 120.40 113.69 3pbh s VAL 52 Ca 0.01 -1.61 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 3pbh s VAL 52 Cb -0.17 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.48 3pbh s VAL 52 CO -0.11 -0.57 0.31 -1.61 -0.31 0.00 0.00 175.10 172.81 3pbh s GLU 53 N -2.77 2.98 0.27 4.82 2.02 -1.26 -4.67 118.70 120.08 3pbh s GLU 53 Ca 0.04 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 53.73 3pbh s GLU 53 Cb -0.03 -3.99 -0.09 0.00 0.10 0.00 0.00 34.13 30.12 3pbh s GLU 53 CO -0.01 -0.77 1.12 0.08 0.02 0.00 0.00 175.26 175.70 3pbh s VAL 54 N 1.72 3.49 -0.26 2.63 1.01 -1.26 0.22 120.40 127.94 3pbh s VAL 54 Ca 0.06 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 3pbh s VAL 54 Cb -0.19 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3pbh s VAL 54 CO 0.10 0.33 1.66 -0.55 0.00 0.00 0.00 175.10 176.65 3pbh s SER 55 N -0.73 6.24 0.37 3.32 0.15 0.34 -4.52 113.70 118.87 3pbh s SER 55 Ca 0.46 1.51 0.19 0.00 0.70 0.00 0.00 55.95 58.80 3pbh s SER 55 Cb -0.32 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.07 3pbh s SER 55 CO 0.41 -1.39 1.70 0.00 1.20 0.00 0.00 173.24 175.16 3pbh h ALA 56 N 11.33 0.94 -0.03 5.45 0.00 -1.85 -3.08 119.26 132.03 3pbh h ALA 56 Ca -0.34 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3pbh h ALA 56 Cb 1.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3pbh h ALA 56 CO 1.01 0.47 0.01 1.49 0.00 0.00 0.00 179.25 182.23 3pbh h GLU 57 N 0.00 0.04 -0.44 0.00 4.57 -1.88 0.11 114.58 116.97 3pbh h GLU 57 Ca -0.00 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3pbh h GLU 57 Cb 0.96 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.48 3pbh h GLU 57 CO 0.05 0.24 0.10 0.22 -1.18 0.00 0.00 179.01 178.43 3pbh h ASP 58 N -0.16 0.02 0.35 1.04 3.58 -1.80 -1.40 116.42 118.05 3pbh h ASP 58 Ca 0.01 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3pbh h ASP 58 Cb 0.21 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3pbh h ASP 58 CO -0.00 0.05 -0.17 0.25 -2.88 0.00 0.00 179.24 176.49 3pbh h LEU 59 N 0.23 -0.40 -1.74 2.28 5.85 -1.49 0.23 115.31 120.28 3pbh h LEU 59 Ca 0.22 -0.13 0.25 0.00 0.84 0.00 0.00 57.88 59.06 3pbh h LEU 59 Cb 0.26 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 3pbh h LEU 59 CO -0.27 -0.08 0.65 0.25 -0.34 0.00 0.00 178.44 178.65 3pbh h LEU 60 N -0.74 0.20 0.00 2.25 5.85 -0.58 -2.86 115.31 119.43 3pbh h LEU 60 Ca -0.05 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 3pbh h LEU 60 Cb 0.50 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3pbh h LEU 60 CO 0.08 0.06 -1.96 0.35 -0.34 0.00 0.00 178.44 176.63 3pbh n THR 61 N -4.40 0.65 0.58 1.05 -2.24 -0.55 -4.70 114.28 104.67 3pbh n THR 61 Ca 0.21 -0.56 0.08 0.00 -2.27 0.00 0.00 64.05 61.51 3pbh n THR 61 Cb 0.89 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 3pbh n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pbh n GLY 64 N -0.43 -1.55 0.26 0.00 0.00 -1.26 -4.37 105.19 97.84 3pbh n GLY 64 Ca -0.09 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.21 3pbh n GLY 64 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3pbh h SER 65 N 0.21 0.00 -0.86 1.61 0.02 -1.96 -0.32 113.55 112.25 3pbh h SER 65 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3pbh h SER 65 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3pbh h SER 65 CO 0.00 0.00 0.44 -0.03 -1.14 0.00 0.00 176.83 176.10 3pbh h MET 66 N 0.00 1.22 -0.00 3.45 1.85 -2.00 -2.93 114.93 116.53 3pbh h MET 66 Ca 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3pbh h MET 66 Cb 0.23 -0.23 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3pbh h MET 66 CO 0.00 0.92 -0.48 0.00 -0.40 0.00 0.00 176.91 176.94 3pbh n GLY 68 N 1.49 0.16 2.62 0.00 0.00 -1.11 -0.23 105.19 108.12 3pbh n GLY 68 Ca 0.06 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 3pbh n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pbh n ASP 69 N 0.00 4.32 0.00 1.61 2.03 0.72 -4.10 116.55 121.13 3pbh n ASP 69 Ca 0.00 -3.63 0.00 0.00 0.52 0.00 0.00 54.79 51.68 3pbh n ASP 69 Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 3pbh n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3pbh n GLY 70 N -0.36 3.02 0.00 0.27 0.00 -1.22 -1.05 105.19 105.85 3pbh n GLY 70 Ca 0.34 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.59 3pbh n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbh n ASN 72 N -1.35 3.41 0.00 0.00 3.02 -0.21 -0.60 115.26 119.53 3pbh n ASN 72 Ca 0.04 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3pbh n ASN 72 Cb 0.08 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3pbh n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pbh n GLY 73 N 1.49 3.80 1.41 7.41 0.00 -0.78 -4.86 105.19 113.67 3pbh n GLY 73 Ca 0.19 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 3pbh n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pbh n GLY 74 N -1.39 1.48 3.05 -0.02 0.00 -1.06 -0.20 105.19 107.05 3pbh n GLY 74 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3pbh n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pbh s TYR 75 N -6.01 2.29 0.23 1.61 2.02 0.68 -1.82 117.35 116.35 3pbh s TYR 75 Ca 0.07 -1.27 -0.07 0.00 -0.37 0.00 0.00 57.07 55.43 3pbh s TYR 75 Cb -0.02 -1.65 0.38 0.00 -0.40 0.00 0.00 41.96 40.27 3pbh s TYR 75 CO 0.04 -0.66 1.70 -1.35 -1.57 0.00 0.00 175.55 173.71 3pbh h PRO 76 N 7.89 0.29 -0.80 -1.71 0.11 -1.89 -2.41 132.00 133.47 3pbh h PRO 76 Ca -0.38 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.85 3pbh h PRO 76 Cb 1.15 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 3pbh h PRO 76 CO 0.55 0.19 0.39 0.00 -0.21 0.00 0.00 178.00 178.92 3pbh h ALA 77 N 1.53 1.18 0.00 -0.75 0.00 -1.94 -0.97 119.26 118.32 3pbh h ALA 77 Ca 0.37 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3pbh h ALA 77 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3pbh h ALA 77 CO -0.44 -0.11 -0.33 0.93 0.00 0.00 0.00 179.25 179.30 3pbh h GLU 78 N 0.58 0.00 -0.14 0.00 4.39 -1.74 -2.54 114.58 115.12 3pbh h GLU 78 Ca 0.43 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.10 3pbh h GLU 78 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3pbh h GLU 78 CO -0.36 0.33 -0.04 0.00 -1.16 0.00 0.00 179.01 177.78 3pbh h ALA 79 N 1.67 0.19 -0.69 3.43 0.00 -1.05 -1.19 119.26 121.63 3pbh h ALA 79 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3pbh h ALA 79 Cb 0.97 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3pbh h ALA 79 CO 0.04 -0.04 0.32 -1.49 0.00 0.00 0.00 179.25 178.07 3pbh h TRP 80 N -0.04 0.98 -0.21 0.00 4.06 -1.43 -2.60 115.95 116.71 3pbh h TRP 80 Ca 0.03 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.00 3pbh h TRP 80 Cb 0.48 -0.31 -0.06 0.00 -1.00 0.00 0.00 29.16 28.27 3pbh h TRP 80 CO 0.06 0.73 -0.20 -0.97 -3.56 0.00 0.00 178.44 174.49 3pbh h ASN 81 N 0.98 -0.64 0.03 -3.49 -0.73 -1.23 -0.50 115.58 109.99 3pbh h ASN 81 Ca 0.24 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.52 3pbh h ASN 81 Cb 0.12 0.31 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 3pbh h ASN 81 CO -0.03 -0.24 -0.02 0.15 -0.37 0.00 0.00 177.43 176.91 3pbh h PHE 82 N -0.22 0.00 -0.31 0.67 3.57 -0.88 -1.18 116.94 118.59 3pbh h PHE 82 Ca 0.13 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 3pbh h PHE 82 Cb 0.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3pbh h PHE 82 CO -0.35 0.02 -0.42 2.35 -2.23 0.00 0.00 178.31 177.69 3pbh h TRP 83 N 0.00 0.93 -0.21 0.41 7.01 -0.77 0.14 115.95 123.45 3pbh h TRP 83 Ca -0.00 -0.28 -0.12 0.00 2.11 0.00 0.00 58.89 60.60 3pbh h TRP 83 Cb 0.04 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3pbh h TRP 83 CO 0.00 1.05 -0.34 1.15 -2.79 0.00 0.00 178.44 177.51 3pbh h THR 84 N 0.62 1.33 0.00 2.65 2.02 -0.34 -1.20 112.91 117.99 3pbh h THR 84 Ca 0.05 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3pbh h THR 84 Cb 0.98 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3pbh h THR 84 CO 0.09 0.48 -0.01 0.03 0.37 0.00 0.00 175.52 176.49 3pbh h ARG 85 N 0.29 0.00 0.00 6.66 3.08 -1.19 -3.41 114.38 119.82 3pbh h ARG 85 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3pbh h ARG 85 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3pbh h ARG 85 CO 0.08 0.00 -1.03 1.63 -1.07 0.00 0.00 179.97 179.58 3pbh n LYS 86 N -4.02 0.74 -0.96 0.04 4.01 0.26 -5.08 118.16 113.14 3pbh n LYS 86 Ca -0.00 -0.03 0.13 0.00 -0.51 0.00 0.00 58.31 57.90 3pbh n LYS 86 Cb 0.00 -1.40 -0.04 0.00 -0.51 0.00 0.00 35.03 33.09 3pbh n LYS 86 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3pbh n GLY 87 N 1.44 -1.91 3.14 0.72 0.00 0.12 -4.85 105.19 103.85 3pbh n GLY 87 Ca 0.03 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 3pbh n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pbh s LEU 88 N -5.76 2.22 0.56 0.99 1.43 0.83 -4.72 118.68 114.23 3pbh s LEU 88 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3pbh s LEU 88 Cb 0.00 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 45.76 3pbh s LEU 88 CO 0.00 -0.04 0.78 0.68 0.23 0.00 0.00 176.35 178.00 3pbh s VAL 89 N -1.07 2.60 0.80 -1.59 -7.23 -1.25 0.32 120.40 112.97 3pbh s VAL 89 Ca -0.01 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 3pbh s VAL 89 Cb -0.09 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 34.04 3pbh s VAL 89 CO 0.02 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.95 3pbh s SER 90 N -4.48 4.42 0.00 4.85 1.04 -1.24 -0.50 113.70 117.78 3pbh s SER 90 Ca 0.59 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3pbh s SER 90 Cb -0.09 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3pbh s SER 90 CO 0.38 -2.05 0.00 0.61 0.98 0.00 0.00 173.24 173.17 3pbh n GLY 91 N -1.62 1.11 0.00 7.32 0.00 0.13 -1.45 105.19 110.68 3pbh n GLY 91 Ca 0.08 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3pbh n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pbh n GLY 92 N 0.00 1.23 3.73 -0.02 0.00 0.45 -3.60 105.19 106.98 3pbh n GLY 92 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 3pbh n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pbh s LEU 93 N 0.00 1.76 0.12 0.99 1.02 -1.26 -2.18 118.68 119.13 3pbh s LEU 93 Ca 0.00 1.02 -0.31 0.00 0.02 0.00 0.00 54.13 54.86 3pbh s LEU 93 Cb 0.00 -3.24 -0.10 0.00 0.02 0.00 0.00 46.19 42.87 3pbh s LEU 93 CO 0.00 -2.89 1.80 -0.47 0.02 0.00 0.00 176.35 174.81 3pbh s TYR 94 N -3.15 2.22 -1.71 0.29 5.04 -1.26 -2.47 117.35 116.30 3pbh s TYR 94 Ca 0.65 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.32 3pbh s TYR 94 Cb -0.16 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.01 3pbh s TYR 94 CO 0.55 -4.69 0.07 0.39 -1.34 0.00 0.00 175.55 170.53 3pbh n GLU 95 N 5.60 -2.08 0.07 4.97 -0.58 -1.26 -4.88 120.64 122.48 3pbh n GLU 95 Ca 0.17 0.97 0.11 0.00 -0.42 0.00 0.00 57.16 58.00 3pbh n GLU 95 Cb 0.38 -5.66 -0.01 0.00 -0.57 0.00 0.00 31.44 25.59 3pbh n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3pbh n SER 96 N -2.06 0.67 -1.77 1.62 3.41 -1.03 -4.96 113.62 109.50 3pbh n SER 96 Ca -0.23 0.17 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 3pbh n SER 96 Cb 0.68 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 3pbh n SER 96 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3pbh n HIS 97 N -2.45 -0.59 -4.39 7.33 -0.00 -1.26 -4.98 115.22 108.88 3pbh n HIS 97 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 3pbh n HIS 97 Cb 0.52 -3.30 -0.13 0.00 -0.00 0.00 0.00 29.99 27.09 3pbh n HIS 97 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3pbh s VAL 98 N -2.79 3.50 0.00 1.59 1.01 -1.26 -5.05 120.40 117.40 3pbh s VAL 98 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3pbh s VAL 98 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3pbh s VAL 98 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3pbh n GLY 99 N 3.87 -2.30 0.08 4.51 0.00 -1.26 -0.41 105.19 109.68 3pbh n GLY 99 Ca -0.18 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 3pbh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbh s ARG 101 N -2.59 0.97 0.71 0.00 0.52 -0.53 -0.11 118.95 117.92 3pbh s ARG 101 Ca -0.17 -1.77 -0.11 0.00 -0.52 0.00 0.00 55.73 53.16 3pbh s ARG 101 Cb -0.01 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.64 3pbh s ARG 101 CO 0.73 -1.21 1.07 -1.25 0.02 0.00 0.00 175.30 174.65 3pbh s PRO 102 N 0.57 2.83 0.34 3.54 0.04 -1.26 -4.26 135.00 136.80 3pbh s PRO 102 Ca 0.20 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 3pbh s PRO 102 Cb -0.20 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3pbh s PRO 102 CO -0.02 -1.15 1.26 0.98 0.04 0.00 0.00 177.00 178.11 3pbh n TYR 103 N -3.15 2.19 0.07 0.56 9.36 -0.93 -4.90 117.16 120.36 3pbh n TYR 103 Ca 0.07 0.56 0.08 0.00 3.32 0.00 0.00 57.90 61.94 3pbh n TYR 103 Cb 0.54 -2.40 0.17 0.00 -0.63 0.00 0.00 39.34 37.03 3pbh n TYR 103 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3pbh n SER 104 N 0.78 3.04 -4.37 2.98 3.41 -1.26 -4.12 113.62 114.08 3pbh n SER 104 Ca 0.05 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3pbh n SER 104 Cb 0.36 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 3pbh n SER 104 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3pbh s ILE 105 N -1.13 4.92 0.40 -1.33 1.01 -1.26 -5.07 121.20 118.74 3pbh s ILE 105 Ca 0.29 -1.05 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 3pbh s ILE 105 Cb 0.17 -3.90 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 3pbh s ILE 105 CO 0.23 -0.47 0.79 -0.81 0.00 0.00 0.00 174.94 174.68 3pbh n PRO 106 N 5.10 0.95 -2.12 2.79 -0.04 -1.26 -4.58 135.00 135.85 3pbh n PRO 106 Ca -0.12 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 3pbh n PRO 106 Cb 0.44 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3pbh n PRO 106 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3pbh s PRO 107 N -1.77 4.35 -0.56 0.54 0.02 -1.26 -4.44 135.00 131.88 3pbh s PRO 107 Ca 0.63 2.20 0.06 0.00 0.02 0.00 0.00 61.00 63.92 3pbh s PRO 107 Cb -0.60 -3.09 0.31 0.00 0.02 0.00 0.00 34.50 31.14 3pbh s PRO 107 CO 0.57 -0.22 0.83 0.00 -0.33 0.00 0.00 177.00 177.86 3pbh n GLU 109 N 0.26 1.62 0.00 0.00 0.28 -1.26 -4.82 120.64 116.72 3pbh n GLU 109 Ca 0.29 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 55.29 3pbh n GLU 109 Cb 0.44 -3.06 0.00 0.00 1.43 0.00 0.00 31.44 30.24 3pbh n GLU 109 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3pbh n HIS 110 N 8.40 0.00 0.00 -1.84 8.25 -1.26 -4.95 115.22 123.81 3pbh n HIS 110 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 3pbh n HIS 110 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 3pbh n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3pbh n HIS 111 N 13.27 0.00 0.00 4.41 -0.00 -1.26 -4.52 115.22 127.12 3pbh n HIS 111 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3pbh n HIS 111 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3pbh n HIS 111 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3pbh n VAL 112 N 0.00 0.00 0.00 3.57 0.31 -1.26 -4.38 118.33 116.57 3pbh n VAL 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3pbh n VAL 112 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3pbh n VAL 112 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3pbh n ASN 113 N 1.41 0.00 -2.95 4.52 2.85 -1.26 -3.64 115.26 116.19 3pbh n ASN 113 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 3pbh n ASN 113 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3pbh n ASN 113 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3pbh n GLY 114 N 0.00 5.22 3.51 8.20 0.00 -1.26 -4.96 105.19 115.90 3pbh n GLY 114 Ca 0.00 -2.56 -0.25 0.00 0.00 0.00 0.00 46.02 43.21 3pbh n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3pbh n SER 115 N -0.17 -3.06 -4.01 1.61 7.64 -1.24 -4.95 113.62 109.43 3pbh n SER 115 Ca 0.30 -0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.43 3pbh n SER 115 Cb 0.47 -2.57 0.25 0.00 -1.01 0.00 0.00 64.21 61.35 3pbh n SER 115 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3pbh n ARG 116 N -3.68 -3.07 -1.40 1.43 0.63 -1.26 -4.58 116.66 104.73 3pbh n ARG 116 Ca 0.02 -0.89 -0.60 0.00 -0.92 0.00 0.00 57.85 55.46 3pbh n ARG 116 Cb 0.52 -1.94 -0.11 0.00 0.45 0.00 0.00 32.46 31.38 3pbh n ARG 116 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3pbh n PRO 117 N -4.42 0.23 -1.82 -0.14 -0.02 -1.26 -4.78 135.00 122.78 3pbh n PRO 117 Ca 0.05 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 3pbh n PRO 117 Cb 0.56 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3pbh n PRO 117 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3pbh s PRO 118 N 5.31 4.02 -0.31 0.52 0.04 -1.26 -4.81 135.00 138.50 3pbh s PRO 118 Ca 1.14 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 64.40 3pbh s PRO 118 Cb -1.38 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 30.26 3pbh s PRO 118 CO 0.67 -0.58 1.41 0.00 0.04 0.00 0.00 177.00 178.53 3pbh s THR 120 N 4.91 1.96 -1.52 0.00 -1.32 -1.26 -3.47 115.64 114.94 3pbh s THR 120 Ca 0.61 -2.18 0.22 0.00 -1.21 0.00 0.00 61.69 59.14 3pbh s THR 120 Cb -0.18 -2.52 -0.07 0.00 -1.51 0.00 0.00 72.50 68.22 3pbh s THR 120 CO 0.27 -0.27 1.08 0.61 -2.21 0.00 0.00 174.62 174.11 3pbh n GLY 121 N -0.67 -0.53 3.59 6.08 0.00 -1.26 -4.47 105.19 107.92 3pbh n GLY 121 Ca -0.05 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3pbh n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbh s GLU 122 N -2.73 3.66 -0.30 1.61 0.41 -1.26 -4.92 118.70 115.18 3pbh s GLU 122 Ca 0.14 0.40 -0.15 0.00 -0.41 0.00 0.00 54.97 54.95 3pbh s GLU 122 Cb 0.17 -3.90 0.18 0.00 -1.78 0.00 0.00 34.13 28.80 3pbh s GLU 122 CO 0.70 -1.24 1.10 0.20 -0.49 0.00 0.00 175.26 175.52 3pbh s GLY 123 N 2.27 -0.24 0.89 -1.39 0.00 -1.26 -5.05 107.32 102.55 3pbh s GLY 123 Ca 0.42 2.93 -0.12 0.00 0.00 0.00 0.00 44.72 47.94 3pbh s GLY 123 CO 0.27 3.78 1.14 0.99 0.00 0.00 0.00 173.10 179.28 3pbh s ASP 124 N 2.87 3.72 -0.26 1.64 1.11 -1.26 -4.86 116.67 119.63 3pbh s ASP 124 Ca -0.03 0.97 -0.14 0.00 0.18 0.00 0.00 52.55 53.53 3pbh s ASP 124 Cb -0.09 -1.56 -0.04 0.00 1.07 0.00 0.00 42.92 42.31 3pbh s ASP 124 CO -0.11 -2.42 0.34 -0.89 1.18 0.00 0.00 175.17 173.27 3pbh s THR 125 N -3.30 5.21 0.82 -1.27 2.01 -1.26 -4.86 115.64 112.99 3pbh s THR 125 Ca 0.63 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 3pbh s THR 125 Cb -0.14 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.79 3pbh s THR 125 CO 0.53 0.20 1.15 -2.16 -0.69 0.00 0.00 174.62 173.65 3pbh s PRO 126 N 1.83 1.65 0.64 4.92 0.04 -1.26 -4.99 135.00 137.83 3pbh s PRO 126 Ca 0.14 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 3pbh s PRO 126 Cb -0.15 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3pbh s PRO 126 CO 0.09 -2.16 1.06 0.15 0.04 0.00 0.00 177.00 176.18 3pbh s LYS 127 N -4.46 3.09 -0.76 4.56 -0.14 -1.26 -4.68 119.74 116.09 3pbh s LYS 127 Ca 0.68 1.12 -0.26 0.00 -1.36 0.00 0.00 55.97 56.15 3pbh s LYS 127 Cb -0.23 -2.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.92 3pbh s LYS 127 CO 0.53 -0.99 1.59 0.00 -0.76 0.00 0.00 175.35 175.73 3pbh s SER 129 N 6.00 5.61 -0.16 0.00 0.01 -1.26 -4.98 113.70 118.92 3pbh s SER 129 Ca 0.52 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 3pbh s SER 129 Cb -0.08 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.25 3pbh s SER 129 CO 0.11 -0.30 2.04 0.29 0.41 0.00 0.00 173.24 175.79 3pbh n LYS 130 N 4.98 1.42 -4.44 12.44 4.01 -1.26 -4.82 118.16 130.49 3pbh n LYS 130 Ca -0.13 -0.81 -0.22 0.00 -0.51 0.00 0.00 58.31 56.64 3pbh n LYS 130 Cb 0.47 -1.33 -0.16 0.00 -0.51 0.00 0.00 35.03 33.50 3pbh n LYS 130 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 3pbh s ILE 131 N -1.14 0.90 0.64 -0.18 2.07 -1.26 -4.64 121.20 117.59 3pbh s ILE 131 Ca 0.17 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 58.89 3pbh s ILE 131 Cb 0.13 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 3pbh s ILE 131 CO -0.00 0.30 1.11 0.00 -1.91 0.00 0.00 174.94 174.43 3pbh s GLU 133 N -4.04 4.20 0.34 0.00 2.12 0.85 -4.90 118.70 117.27 3pbh s GLU 133 Ca 0.67 2.43 -0.25 0.00 0.36 0.00 0.00 54.97 58.18 3pbh s GLU 133 Cb -0.20 -3.04 -0.13 0.00 0.26 0.00 0.00 34.13 31.02 3pbh s GLU 133 CO 0.40 -0.46 0.76 -2.30 -0.54 0.00 0.00 175.26 173.12 3pbh n PRO 134 N 1.39 0.85 -2.42 4.30 -0.02 -1.26 -3.25 135.00 134.59 3pbh n PRO 134 Ca 0.04 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 3pbh n PRO 134 Cb 0.40 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.27 3pbh n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3pbh n GLY 135 N 1.55 0.71 3.52 -1.23 0.00 -1.26 -5.06 105.19 103.42 3pbh n GLY 135 Ca 0.12 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3pbh n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3pbh s TYR 136 N -3.02 -1.10 0.16 1.61 5.04 -1.20 -5.11 117.35 113.73 3pbh s TYR 136 Ca 0.03 2.01 0.09 0.00 -2.44 0.00 0.00 57.07 56.75 3pbh s TYR 136 Cb -0.01 0.60 -0.04 0.00 0.35 0.00 0.00 41.96 42.86 3pbh s TYR 136 CO 0.05 -0.57 -0.11 -1.12 -1.34 0.00 0.00 175.55 172.46 3pbh s SER 137 N 2.51 4.23 0.00 4.32 0.01 -1.26 -4.76 113.70 118.74 3pbh s SER 137 Ca -0.06 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3pbh s SER 137 Cb -0.11 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.41 3pbh s SER 137 CO -0.17 0.12 0.00 -0.81 0.41 0.00 0.00 173.24 172.79 3pbh n PRO 138 N 0.22 1.72 -3.16 12.44 -0.04 -1.26 -5.06 135.00 139.85 3pbh n PRO 138 Ca -0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 3pbh n PRO 138 Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.01 3pbh n PRO 138 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3pbh s THR 139 N 0.00 3.83 0.13 0.52 -1.32 -1.26 -4.82 115.64 112.72 3pbh s THR 139 Ca 0.00 -0.77 -0.32 0.00 -1.21 0.00 0.00 61.69 59.40 3pbh s THR 139 Cb 0.00 -3.37 -0.11 0.00 -1.51 0.00 0.00 72.50 67.51 3pbh s THR 139 CO 0.00 -0.20 1.53 0.22 -2.21 0.00 0.00 174.62 173.96 3pbh h TYR 140 N 0.60 -1.66 0.00 9.09 5.03 -1.94 0.92 116.97 129.01 3pbh h TYR 140 Ca -0.45 0.08 0.00 0.00 2.58 0.00 0.00 58.73 60.94 3pbh h TYR 140 Cb 1.26 0.77 0.00 0.00 1.55 0.00 0.00 36.73 40.32 3pbh h TYR 140 CO 0.43 -0.48 0.00 1.63 -1.32 0.00 0.00 178.16 178.42 3pbh n LYS 141 N -5.28 0.08 0.01 1.82 4.76 -1.26 -1.86 118.16 116.43 3pbh n LYS 141 Ca -0.03 0.19 -0.02 0.00 -2.87 0.00 0.00 58.31 55.57 3pbh n LYS 141 Cb 0.33 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.92 3pbh n LYS 141 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3pbh n GLN 142 N -1.43 0.63 -0.85 1.97 0.00 0.69 -3.86 117.38 114.54 3pbh n GLN 142 Ca 0.05 0.20 -0.12 0.00 -0.00 0.00 0.00 57.00 57.14 3pbh n GLN 142 Cb 0.17 -1.77 0.18 0.00 0.00 0.00 0.00 30.24 28.82 3pbh n GLN 142 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3pbh n ASP 143 N -2.88 3.83 -4.86 1.69 2.03 0.29 -4.82 116.55 111.83 3pbh n ASP 143 Ca -0.13 -3.07 -0.35 0.00 0.52 0.00 0.00 54.79 51.76 3pbh n ASP 143 Cb 0.90 -0.72 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 3pbh n ASP 143 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3pbh s LYS 144 N -2.42 3.85 -0.10 -0.67 2.47 -1.22 -3.68 119.74 117.96 3pbh s LYS 144 Ca 0.42 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 55.15 3pbh s LYS 144 Cb 0.35 -3.01 0.01 0.00 -1.46 0.00 0.00 37.83 33.72 3pbh s LYS 144 CO 0.09 0.55 -0.16 -1.01 0.16 0.00 0.00 175.35 174.99 3pbh s HIS 145 N -1.38 1.99 0.23 4.03 3.76 0.15 -4.88 115.29 119.20 3pbh s HIS 145 Ca 0.33 -0.91 0.07 0.00 -0.15 0.00 0.00 55.06 54.41 3pbh s HIS 145 Cb -0.15 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 3pbh s HIS 145 CO 0.18 -0.45 0.12 0.71 -0.85 0.00 0.00 174.74 174.44 3pbh s TYR 146 N 0.88 2.98 0.30 1.40 1.51 -1.26 -0.12 117.35 123.05 3pbh s TYR 146 Ca -0.09 -0.13 0.09 0.00 -1.01 0.00 0.00 57.07 55.93 3pbh s TYR 146 Cb -0.15 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 3pbh s TYR 146 CO -0.00 0.55 0.07 0.20 -1.11 0.00 0.00 175.55 175.26 3pbh s GLY 147 N -3.60 1.77 0.00 0.71 0.00 -0.48 -1.13 107.32 104.60 3pbh s GLY 147 Ca 0.32 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3pbh s GLY 147 CO 0.23 -1.72 0.09 -1.72 0.00 0.00 0.00 173.10 169.97 3pbh n TYR 148 N -1.02 0.00 -1.76 1.90 4.01 0.91 -4.32 117.16 116.88 3pbh n TYR 148 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3pbh n TYR 148 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3pbh n TYR 148 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3pbh n ASN 149 N -0.19 0.00 -3.53 7.72 2.85 -1.26 -4.75 115.26 116.10 3pbh n ASN 149 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 3pbh n ASN 149 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 3pbh n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3pbh s SER 150 N 1.00 -0.48 0.29 1.20 1.04 -1.26 -4.42 113.70 111.07 3pbh s SER 150 Ca 0.00 0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 3pbh s SER 150 Cb 0.00 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3pbh s SER 150 CO 0.00 -0.54 0.67 -0.72 0.98 0.00 0.00 173.24 173.63 3pbh s TYR 151 N -1.81 0.01 -0.00 5.02 -0.85 -0.64 -4.23 117.35 114.84 3pbh s TYR 151 Ca -0.03 -0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 3pbh s TYR 151 Cb -0.00 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 3pbh s TYR 151 CO 0.01 -1.24 0.13 -1.12 -1.52 0.00 0.00 175.55 171.80 3pbh s SER 152 N -2.97 5.99 -0.15 -0.18 0.01 -0.97 -1.97 113.70 113.45 3pbh s SER 152 Ca 0.15 0.23 -0.08 0.00 1.31 0.00 0.00 55.95 57.56 3pbh s SER 152 Cb -0.05 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 3pbh s SER 152 CO 0.09 0.27 0.12 -0.69 0.41 0.00 0.00 173.24 173.43 3pbh s VAL 153 N -1.26 5.33 0.00 3.43 1.01 -0.85 -0.94 120.40 127.12 3pbh s VAL 153 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3pbh s VAL 153 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3pbh s VAL 153 CO 0.16 0.55 0.06 -1.54 0.00 0.00 0.00 175.10 174.33 3pbh n SER 154 N 2.62 0.17 -3.89 3.32 3.41 -1.21 -4.60 113.62 113.44 3pbh n SER 154 Ca -0.18 -0.26 -0.28 0.00 -0.26 0.00 0.00 58.87 57.89 3pbh n SER 154 Cb 0.54 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3pbh n SER 154 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3pbh n ASN 155 N 1.14 -1.78 -3.71 4.04 4.05 -1.24 -4.98 115.26 112.78 3pbh n ASN 155 Ca 0.00 -1.02 -0.13 0.00 0.45 0.00 0.00 54.58 53.88 3pbh n ASN 155 Cb 0.02 -3.08 -0.13 0.00 1.23 0.00 0.00 39.78 37.83 3pbh n ASN 155 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3pbh s SER 156 N -4.10 -0.11 0.14 1.20 0.15 -1.26 -4.98 113.70 104.74 3pbh s SER 156 Ca 0.15 0.55 -0.19 0.00 0.70 0.00 0.00 55.95 57.16 3pbh s SER 156 Cb -0.06 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 3pbh s SER 156 CO 0.89 -0.19 1.69 -0.08 1.20 0.00 0.00 173.24 176.75 3pbh h GLU 157 N 7.48 -0.01 -0.90 5.44 4.81 -1.96 0.35 114.58 129.78 3pbh h GLU 157 Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3pbh h GLU 157 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3pbh h GLU 157 CO 0.31 -0.01 0.54 0.87 -0.73 0.00 0.00 179.01 179.99 3pbh h LYS 158 N -0.01 1.23 -0.40 1.92 6.56 -1.99 -1.00 116.57 122.88 3pbh h LYS 158 Ca 0.13 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 3pbh h LYS 158 Cb 0.22 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 3pbh h LYS 158 CO -0.29 0.86 0.01 -0.44 -2.06 0.00 0.00 179.45 177.53 3pbh h ASP 159 N 1.25 0.68 -0.05 0.86 3.32 -1.77 -0.22 116.42 120.48 3pbh h ASP 159 Ca 0.32 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3pbh h ASP 159 Cb -0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3pbh h ASP 159 CO -0.06 0.82 -0.16 0.40 -1.72 0.00 0.00 179.24 178.52 3pbh h ILE 160 N 0.52 1.23 -0.09 0.35 2.04 -0.69 -2.18 117.51 118.69 3pbh h ILE 160 Ca 0.11 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3pbh h ILE 160 Cb 0.47 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3pbh h ILE 160 CO 0.02 0.32 -0.16 0.24 0.00 0.00 0.00 178.15 178.58 3pbh h MET 161 N 0.37 0.26 -0.95 2.37 2.86 -0.73 -3.00 114.93 116.11 3pbh h MET 161 Ca 0.07 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3pbh h MET 161 Cb 0.50 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 3pbh h MET 161 CO 0.03 0.75 0.61 0.00 1.06 0.00 0.00 176.91 179.35 3pbh h ALA 162 N 0.51 1.21 -0.15 6.32 0.00 -0.94 -1.80 119.26 124.41 3pbh h ALA 162 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3pbh h ALA 162 Cb 0.73 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3pbh h ALA 162 CO 0.04 0.63 -0.00 1.49 0.00 0.00 0.00 179.25 181.40 3pbh h GLU 163 N 1.30 0.05 -0.62 0.00 4.57 -1.40 -2.33 114.58 116.14 3pbh h GLU 163 Ca 0.35 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 3pbh h GLU 163 Cb -0.11 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 3pbh h GLU 163 CO -0.07 0.03 0.10 0.82 -1.18 0.00 0.00 179.01 178.71 3pbh h ILE 164 N 0.05 1.26 -0.52 2.32 2.04 -1.37 0.69 117.51 121.98 3pbh h ILE 164 Ca 0.07 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.00 3pbh h ILE 164 Cb 0.09 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3pbh h ILE 164 CO -0.12 0.37 0.17 0.22 0.00 0.00 0.00 178.15 178.79 3pbh h TYR 165 N 0.96 0.29 0.00 1.37 3.20 -0.81 -0.71 116.97 121.26 3pbh h TYR 165 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3pbh h TYR 165 Cb 0.42 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3pbh h TYR 165 CO 0.03 0.07 -1.13 0.36 -1.64 0.00 0.00 178.16 175.86 3pbh n LYS 166 N -5.03 1.39 -0.00 1.82 2.85 -0.97 -4.69 118.16 113.53 3pbh n LYS 166 Ca 0.06 -0.06 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 3pbh n LYS 166 Cb 0.23 -1.27 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 3pbh n LYS 166 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3pbh n ASN 167 N -1.64 3.30 0.00 -5.58 5.03 0.23 -5.05 115.26 111.55 3pbh n ASN 167 Ca 0.00 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3pbh n ASN 167 Cb 0.30 1.30 0.00 0.00 -1.02 0.00 0.00 39.78 40.36 3pbh n ASN 167 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3pbh n GLY 168 N 2.07 1.46 3.21 7.41 0.00 -0.28 -4.80 105.19 114.28 3pbh n GLY 168 Ca -0.01 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 3pbh n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3pbh n PRO 169 N 0.16 -0.49 -4.19 1.61 -0.02 -1.26 -4.14 135.00 126.66 3pbh n PRO 169 Ca 0.00 -0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.24 3pbh n PRO 169 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 3pbh n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3pbh s VAL 170 N -2.19 0.00 -0.05 -1.45 -7.23 -0.92 -4.89 120.40 103.66 3pbh s VAL 170 Ca 0.49 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 3pbh s VAL 170 Cb -0.13 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 3pbh s VAL 170 CO 0.71 -0.02 0.26 -0.70 -0.31 0.00 0.00 175.10 175.05 3pbh s GLU 171 N -4.15 3.65 0.26 4.82 2.12 -0.75 -0.98 118.70 123.67 3pbh s GLU 171 Ca 0.38 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 3pbh s GLU 171 Cb 0.07 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3pbh s GLU 171 CO 0.12 0.72 0.27 0.20 -0.54 0.00 0.00 175.26 176.03 3pbh s GLY 172 N -1.15 1.52 -0.06 -1.50 0.00 -0.37 -1.16 107.32 104.60 3pbh s GLY 172 Ca 0.20 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 43.11 3pbh s GLY 172 CO 0.09 -1.24 0.40 0.00 0.00 0.00 0.00 173.10 172.36 3pbh s ALA 173 N -3.80 -1.02 0.30 3.20 0.00 -1.24 -0.70 121.76 118.49 3pbh s ALA 173 Ca 0.36 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 3pbh s ALA 173 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3pbh s ALA 173 CO 0.17 -0.26 0.40 -0.59 0.00 0.00 0.00 175.76 175.47 3pbh s PHE 174 N -0.85 1.02 -0.29 0.00 -0.71 -0.91 -3.95 117.98 112.30 3pbh s PHE 174 Ca -0.09 -1.24 -0.21 0.00 -1.04 0.00 0.00 56.93 54.35 3pbh s PHE 174 Cb -0.04 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3pbh s PHE 174 CO 0.04 -1.00 0.67 -1.12 -1.34 0.00 0.00 175.22 172.48 3pbh s SER 175 N -3.20 6.57 -0.30 1.98 0.01 0.16 -1.96 113.70 116.98 3pbh s SER 175 Ca 0.31 0.60 -0.24 0.00 1.31 0.00 0.00 55.95 57.93 3pbh s SER 175 Cb 0.01 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.89 3pbh s SER 175 CO 0.18 -0.47 0.81 -0.69 0.41 0.00 0.00 173.24 173.47 3pbh s VAL 176 N 2.66 4.78 0.08 3.43 1.01 0.15 -4.91 120.40 127.60 3pbh s VAL 176 Ca 0.27 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.55 3pbh s VAL 176 Cb -0.15 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3pbh s VAL 176 CO 0.11 -0.24 0.22 -0.31 0.00 0.00 0.00 175.10 174.87 3pbh s TYR 177 N 2.99 3.48 0.31 5.22 2.02 -1.26 0.16 117.35 130.26 3pbh s TYR 177 Ca 0.34 0.20 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 3pbh s TYR 177 Cb -0.14 -1.72 0.83 0.00 -0.40 0.00 0.00 41.96 40.53 3pbh s TYR 177 CO 0.12 0.57 1.71 0.66 -1.57 0.00 0.00 175.55 177.04 3pbh h SER 178 N 2.88 0.53 0.06 2.29 4.64 -1.32 -0.34 113.55 122.29 3pbh h SER 178 Ca -0.46 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3pbh h SER 178 Cb 1.17 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3pbh h SER 178 CO 0.73 0.05 -0.05 -2.24 -0.87 0.00 0.00 176.83 174.45 3pbh h ASP 179 N 0.49 0.00 -0.22 4.97 2.03 -1.87 -1.98 116.42 119.85 3pbh h ASP 179 Ca 0.62 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.93 3pbh h ASP 179 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 3pbh h ASP 179 CO -0.50 0.05 0.15 0.15 -1.03 0.00 0.00 179.24 178.06 3pbh h PHE 180 N 0.00 0.23 0.00 4.15 3.57 -1.36 0.26 116.94 123.79 3pbh h PHE 180 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3pbh h PHE 180 Cb 0.10 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3pbh h PHE 180 CO 0.00 0.14 0.00 -0.07 -2.23 0.00 0.00 178.31 176.15 3pbh h LEU 181 N 0.25 0.00 -0.75 0.59 3.38 -1.48 -2.28 115.31 115.02 3pbh h LEU 181 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3pbh h LEU 181 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3pbh h LEU 181 CO -0.02 0.00 -0.06 0.18 0.09 0.00 0.00 178.44 178.64 3pbh n LEU 182 N -2.53 1.22 -4.68 1.67 4.77 0.93 -4.29 117.00 114.09 3pbh n LEU 182 Ca -0.01 -0.38 -0.44 0.00 -0.03 0.00 0.00 56.01 55.15 3pbh n LEU 182 Cb 0.13 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3pbh n LEU 182 CO 0.17 0.21 1.00 0.00 -1.33 0.00 0.00 177.39 177.44 3pbh n TYR 183 N -0.15 2.21 0.00 -1.77 9.36 -0.86 -0.72 117.16 125.24 3pbh n TYR 183 Ca 0.18 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.84 3pbh n TYR 183 Cb 0.33 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 3pbh n TYR 183 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3pbh n LYS 184 N 1.76 0.00 -3.69 2.98 4.76 -1.06 -3.54 118.16 119.38 3pbh n LYS 184 Ca 0.10 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3pbh n LYS 184 Cb 0.33 -0.59 -0.01 0.00 -1.84 0.00 0.00 35.03 32.92 3pbh n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3pbh s SER 185 N -4.65 -0.09 0.00 4.39 1.04 -1.25 -3.27 113.70 109.87 3pbh s SER 185 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3pbh s SER 185 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3pbh s SER 185 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3pbh n GLY 186 N -0.52 -1.83 3.55 7.32 0.00 -1.26 -2.30 105.19 110.17 3pbh n GLY 186 Ca -0.07 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3pbh n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbh s VAL 187 N 0.00 5.19 0.26 1.61 1.01 0.15 -3.85 120.40 124.77 3pbh s VAL 187 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3pbh s VAL 187 Cb 0.00 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 3pbh s VAL 187 CO 0.00 -0.03 1.27 -0.47 0.00 0.00 0.00 175.10 175.87 3pbh s TYR 188 N 1.98 3.24 -0.10 5.22 5.04 0.44 -3.40 117.35 129.76 3pbh s TYR 188 Ca 0.11 1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 56.09 3pbh s TYR 188 Cb -0.16 -3.57 0.05 0.00 0.35 0.00 0.00 41.96 38.63 3pbh s TYR 188 CO 0.11 -1.62 0.15 -0.65 -1.34 0.00 0.00 175.55 172.20 3pbh s GLN 189 N -0.97 0.04 0.23 4.97 -0.21 -1.26 -2.34 119.66 120.12 3pbh s GLN 189 Ca 0.52 0.45 -0.32 0.00 0.02 0.00 0.00 55.36 56.03 3pbh s GLN 189 Cb -0.37 -0.53 -0.13 0.00 1.00 0.00 0.00 33.01 32.98 3pbh s GLN 189 CO 0.44 -0.38 1.52 1.58 -2.12 0.00 0.00 175.29 176.33 3pbh n HIS 190 N 5.32 2.39 0.00 0.91 -0.00 -1.26 -4.87 115.22 117.72 3pbh n HIS 190 Ca -0.05 0.31 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 3pbh n HIS 190 Cb 0.50 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 3pbh n HIS 190 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 3pbh n VAL 191 N 2.58 0.00 -3.80 3.57 0.24 -1.26 -5.12 118.33 114.53 3pbh n VAL 191 Ca 0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.35 3pbh n VAL 191 Cb 0.32 -0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 3pbh n VAL 191 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3pbh s THR 192 N -1.56 0.00 0.00 3.34 -1.32 -1.26 -5.13 115.64 109.71 3pbh s THR 192 Ca 0.00 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 3pbh s THR 192 Cb 0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 3pbh s THR 192 CO 0.00 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 3pbh n GLY 193 N -0.44 2.24 3.93 6.08 0.00 -1.26 -3.65 105.19 112.09 3pbh n GLY 193 Ca -0.06 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 3pbh n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbh s GLU 194 N -2.67 3.51 -0.39 1.61 8.01 -1.26 -4.65 118.70 122.85 3pbh s GLU 194 Ca 0.00 -0.19 -0.29 0.00 0.01 0.00 0.00 54.97 54.51 3pbh s GLU 194 Cb 0.00 -2.60 0.01 0.00 -4.31 0.00 0.00 34.13 27.24 3pbh s GLU 194 CO 0.00 0.07 1.30 1.41 0.01 0.00 0.00 175.26 178.05 3pbh s MET 195 N -4.35 3.73 0.24 1.61 1.75 -1.26 -1.02 119.30 119.99 3pbh s MET 195 Ca 0.42 0.94 0.09 0.00 -1.25 0.00 0.00 55.69 55.89 3pbh s MET 195 Cb -0.10 -3.94 0.22 0.00 2.84 0.00 0.00 34.83 33.86 3pbh s MET 195 CO 0.38 -1.36 1.53 0.52 -0.65 0.00 0.00 175.02 175.44 3pbh h MET 196 N 9.81 0.04 0.00 4.11 2.86 -0.61 -3.48 114.93 127.65 3pbh h MET 196 Ca -0.26 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3pbh h MET 196 Cb 1.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3pbh h MET 196 CO 1.08 0.72 0.00 0.41 1.06 0.00 0.00 176.91 180.18 3pbh n GLY 197 N 0.48 0.60 3.90 8.32 0.00 -1.11 -4.92 105.19 112.45 3pbh n GLY 197 Ca -0.01 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3pbh n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pbh s GLY 198 N 0.00 1.98 -0.16 -0.02 0.00 -1.23 0.29 107.32 108.18 3pbh s GLY 198 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 3pbh s GLY 198 CO 0.00 -0.94 0.36 -1.58 0.00 0.00 0.00 173.10 170.94 3pbh s HIS 199 N -1.58 -0.58 0.27 1.90 5.04 -0.83 -2.23 115.29 117.28 3pbh s HIS 199 Ca 0.34 1.22 -0.12 0.00 -1.54 0.00 0.00 55.06 54.96 3pbh s HIS 199 Cb -0.12 0.18 -0.08 0.00 0.04 0.00 0.00 32.58 32.60 3pbh s HIS 199 CO 0.27 -0.37 0.63 0.00 -2.34 0.00 0.00 174.74 172.93 3pbh s ALA 200 N 1.98 3.46 0.36 1.58 0.00 -1.26 -2.14 121.76 125.75 3pbh s ALA 200 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 3pbh s ALA 200 Cb -0.11 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.46 3pbh s ALA 200 CO -0.11 0.41 0.54 0.44 0.00 0.00 0.00 175.76 177.05 3pbh n ILE 201 N -0.29 0.00 -4.30 0.00 -6.64 0.12 -4.73 119.36 103.51 3pbh n ILE 201 Ca 0.02 -1.69 -0.34 0.00 -1.77 0.00 0.00 62.75 58.96 3pbh n ILE 201 Cb 0.53 1.10 -0.14 0.00 -1.44 0.00 0.00 39.64 39.69 3pbh n ILE 201 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 3pbh s ARG 202 N -2.70 3.40 -0.29 6.28 3.52 -1.13 -1.23 118.95 126.79 3pbh s ARG 202 Ca 0.28 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 3pbh s ARG 202 Cb -0.02 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 3pbh s ARG 202 CO 0.20 0.01 0.18 0.42 -0.81 0.00 0.00 175.30 175.30 3pbh s ILE 203 N 0.91 5.10 -0.19 4.11 1.01 -0.15 -1.22 121.20 130.78 3pbh s ILE 203 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3pbh s ILE 203 Cb -0.15 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.88 3pbh s ILE 203 CO 0.00 0.18 0.97 0.00 0.00 0.00 0.00 174.94 176.10 3pbh n LEU 204 N 5.05 2.01 0.00 2.97 -0.00 -0.70 -2.18 117.00 124.15 3pbh n LEU 204 Ca -0.14 -1.84 0.00 0.00 -0.00 0.00 0.00 56.01 54.03 3pbh n LEU 204 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 3pbh n LEU 204 CO 0.34 0.50 0.00 0.61 -0.00 0.00 0.00 177.39 178.84 3pbh n GLY 205 N -0.24 -0.97 3.70 1.47 0.00 -1.22 -1.48 105.19 106.45 3pbh n GLY 205 Ca 0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 3pbh n GLY 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3pbh s TRP 206 N -3.00 -0.24 0.00 1.61 -2.14 -0.47 -1.24 118.94 113.45 3pbh s TRP 206 Ca 0.00 -0.07 -0.01 0.00 2.66 0.00 0.00 56.10 58.67 3pbh s TRP 206 Cb 0.00 0.64 0.00 0.00 -3.10 0.00 0.00 33.47 31.01 3pbh s TRP 206 CO 0.00 -0.92 0.06 0.41 -2.66 0.00 0.00 176.95 173.84 3pbh n GLY 207 N -0.42 0.69 2.99 3.67 0.00 -0.86 -0.08 105.19 111.18 3pbh n GLY 207 Ca -0.07 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 3pbh n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbh s VAL 208 N -2.19 0.71 -0.10 1.61 1.01 -1.26 -0.81 120.40 119.36 3pbh s VAL 208 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3pbh s VAL 208 Cb -0.00 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.79 3pbh s VAL 208 CO 0.00 0.22 0.03 -0.70 0.00 0.00 0.00 175.10 174.66 3pbh s GLU 209 N 0.15 0.40 -1.45 2.72 2.12 -0.09 -4.80 118.70 117.74 3pbh s GLU 209 Ca -0.02 0.03 -0.09 0.00 0.36 0.00 0.00 54.97 55.24 3pbh s GLU 209 Cb -0.07 -1.24 0.05 0.00 0.26 0.00 0.00 34.13 33.13 3pbh s GLU 209 CO 0.00 -0.43 0.76 -1.71 -0.54 0.00 0.00 175.26 173.34 3pbh n ASN 210 N 5.18 -5.10 0.00 -1.70 5.15 -1.26 -0.91 115.26 116.62 3pbh n ASN 210 Ca -0.07 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 3pbh n ASN 210 Cb 0.49 -4.11 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 3pbh n ASN 210 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3pbh n GLY 211 N -1.54 1.42 3.50 8.20 0.00 -1.26 -5.03 105.19 110.49 3pbh n GLY 211 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3pbh n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3pbh s THR 212 N -2.78 4.77 0.32 2.61 2.01 -0.09 -5.08 115.64 117.40 3pbh s THR 212 Ca 0.00 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 3pbh s THR 212 Cb 0.00 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 3pbh s THR 212 CO 0.00 0.26 1.23 -2.16 -0.69 0.00 0.00 174.62 173.26 3pbh s PRO 213 N 1.67 4.41 0.24 4.92 0.04 -1.26 -0.92 135.00 144.10 3pbh s PRO 213 Ca 0.06 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 3pbh s PRO 213 Cb -0.16 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 3pbh s PRO 213 CO 0.07 -0.08 0.39 1.52 0.04 0.00 0.00 177.00 178.93 3pbh s TYR 214 N -1.17 0.60 -0.09 0.56 -0.85 0.01 -1.23 117.35 115.16 3pbh s TYR 214 Ca 0.48 -0.92 -0.01 0.00 -0.52 0.00 0.00 57.07 56.11 3pbh s TYR 214 Cb -0.37 -0.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 3pbh s TYR 214 CO 0.48 -0.91 -0.04 -1.58 -1.52 0.00 0.00 175.55 171.98 3pbh s TRP 215 N -4.01 3.02 -0.44 -3.49 0.52 -0.20 -2.03 118.94 112.31 3pbh s TRP 215 Ca 0.27 -0.01 -0.21 0.00 0.02 0.00 0.00 56.10 56.17 3pbh s TRP 215 Cb 0.01 -1.79 0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3pbh s TRP 215 CO 0.10 0.28 0.67 -1.17 0.02 0.00 0.00 176.95 176.86 3pbh s LEU 216 N -0.55 4.46 -0.04 2.99 2.96 -0.38 -2.77 118.68 125.37 3pbh s LEU 216 Ca 0.09 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3pbh s LEU 216 Cb -0.12 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3pbh s LEU 216 CO 0.02 -0.82 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.33 3pbh s VAL 217 N 2.92 2.45 -0.36 1.68 1.01 -0.02 -1.72 120.40 126.37 3pbh s VAL 217 Ca 0.24 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3pbh s VAL 217 Cb -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3pbh s VAL 217 CO 0.19 0.58 0.30 0.00 0.00 0.00 0.00 175.10 176.18 3pbh s ALA 218 N -0.60 3.49 0.71 5.51 0.00 -0.35 -0.48 121.76 130.05 3pbh s ALA 218 Ca 0.09 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 3pbh s ALA 218 Cb -0.11 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.32 3pbh s ALA 218 CO 0.00 -1.12 1.01 1.21 0.00 0.00 0.00 175.76 176.86 3pbh s ASN 219 N 1.73 4.61 -0.32 0.00 2.47 0.20 -2.86 114.94 120.77 3pbh s ASN 219 Ca 0.08 0.23 0.10 0.00 0.42 0.00 0.00 52.86 53.70 3pbh s ASN 219 Cb -0.17 -0.80 0.46 0.00 -1.45 0.00 0.00 41.25 39.28 3pbh s ASN 219 CO 0.11 -1.71 1.14 -1.54 -3.72 0.00 0.00 177.10 171.38 3pbh n SER 220 N -2.92 3.99 -1.89 -4.21 3.41 -1.26 -4.51 113.62 106.23 3pbh n SER 220 Ca 0.10 -3.34 -0.22 0.00 -0.26 0.00 0.00 58.87 55.14 3pbh n SER 220 Cb 0.60 -0.41 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 3pbh n SER 220 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3pbh n TRP 221 N -0.59 2.47 -0.81 7.33 8.01 -1.23 -2.18 117.44 130.44 3pbh n TRP 221 Ca 0.33 -2.28 0.10 0.00 -1.31 0.00 0.00 57.50 54.35 3pbh n TRP 221 Cb 0.86 -0.64 -0.04 0.00 -2.01 0.00 0.00 31.31 29.48 3pbh n TRP 221 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3pbh n ASN 222 N -0.85 -4.73 -0.05 -0.99 2.85 -1.10 -4.46 115.26 105.94 3pbh n ASN 222 Ca 0.46 0.66 0.16 0.00 -0.11 0.00 0.00 54.58 55.74 3pbh n ASN 222 Cb 0.90 -2.68 0.89 0.00 1.24 0.00 0.00 39.78 40.14 3pbh n ASN 222 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3pbh n THR 223 N -3.46 0.00 -1.34 -0.44 -2.24 -1.26 -3.55 114.28 101.99 3pbh n THR 223 Ca -0.03 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 3pbh n THR 223 Cb 0.38 -0.40 0.15 0.00 -2.10 0.00 0.00 70.33 68.36 3pbh n THR 223 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3pbh n ASP 224 N -0.91 4.58 -4.02 3.42 5.75 -1.26 -3.52 116.55 120.59 3pbh n ASP 224 Ca 0.23 -3.70 -0.20 0.00 -0.01 0.00 0.00 54.79 51.11 3pbh n ASP 224 Cb 0.14 -0.81 -0.15 0.00 -1.03 0.00 0.00 41.12 39.27 3pbh n ASP 224 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3pbh s TRP 225 N -3.44 0.94 0.00 2.11 -0.00 -1.23 -5.00 118.94 112.31 3pbh s TRP 225 Ca 0.56 -0.21 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 3pbh s TRP 225 Cb 0.47 -0.65 0.00 0.00 -0.00 0.00 0.00 33.47 33.29 3pbh s TRP 225 CO 0.05 -0.07 0.00 0.41 -0.00 0.00 0.00 176.95 177.34 3pbh n GLY 226 N 3.13 2.44 3.20 5.86 0.00 -1.23 -0.98 105.19 117.60 3pbh n GLY 226 Ca -0.17 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3pbh n GLY 226 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pbh n ASP 227 N -0.07 5.23 -3.57 1.61 2.03 -0.79 -4.52 116.55 116.46 3pbh n ASP 227 Ca 0.00 -3.05 -0.25 0.00 0.52 0.00 0.00 54.79 52.01 3pbh n ASP 227 Cb 0.00 -1.51 0.06 0.00 -0.72 0.00 0.00 41.12 38.95 3pbh n ASP 227 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3pbh n ASN 228 N 4.62 -6.00 0.00 1.67 3.02 -1.22 -2.01 115.26 115.34 3pbh n ASN 228 Ca 0.37 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3pbh n ASN 228 Cb 0.39 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 3pbh n ASN 228 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pbh n GLY 229 N -1.86 2.63 3.90 7.41 0.00 -0.15 -4.66 105.19 112.45 3pbh n GLY 229 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3pbh n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pbh s PHE 230 N -2.32 2.75 0.21 1.61 0.40 -0.85 -0.63 117.98 119.14 3pbh s PHE 230 Ca 0.00 -0.46 -0.23 0.00 -0.60 0.00 0.00 56.93 55.64 3pbh s PHE 230 Cb 0.00 -2.17 0.04 0.00 0.51 0.00 0.00 43.02 41.40 3pbh s PHE 230 CO 0.00 -0.14 0.78 -0.59 0.70 0.00 0.00 175.22 175.97 3pbh s PHE 231 N -2.44 -0.23 0.03 0.36 -0.71 0.37 -1.89 117.98 113.46 3pbh s PHE 231 Ca 0.49 -0.13 0.08 0.00 -1.04 0.00 0.00 56.93 56.32 3pbh s PHE 231 Cb -0.04 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 3pbh s PHE 231 CO 0.29 -1.03 -0.22 0.15 -1.34 0.00 0.00 175.22 173.06 3pbh s LYS 232 N -3.68 1.58 0.01 1.99 1.02 -1.25 -0.84 119.74 118.57 3pbh s LYS 232 Ca 0.09 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.18 3pbh s LYS 232 Cb -0.04 -1.66 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3pbh s LYS 232 CO 0.02 0.43 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.31 3pbh s ILE 233 N -0.72 0.53 0.10 2.17 2.07 -1.11 -0.42 121.20 123.82 3pbh s ILE 233 Ca 0.09 -0.52 -0.35 0.00 -1.41 0.00 0.00 60.65 58.46 3pbh s ILE 233 Cb -0.09 -0.49 -0.18 0.00 0.13 0.00 0.00 42.46 41.83 3pbh s ILE 233 CO 0.01 -0.01 1.01 -0.11 -1.91 0.00 0.00 174.94 173.93 3pbh n LEU 234 N 2.48 0.39 -4.46 8.50 7.94 -0.99 -1.03 117.00 129.83 3pbh n LEU 234 Ca -0.16 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.59 3pbh n LEU 234 Cb 0.57 -1.05 -0.12 0.00 0.53 0.00 0.00 43.42 43.35 3pbh n LEU 234 CO 0.24 -1.85 -0.50 -0.60 -1.11 0.00 0.00 177.39 173.57 3pbh s ARG 235 N -0.28 1.90 0.00 1.96 3.52 -0.37 -4.56 118.95 121.11 3pbh s ARG 235 Ca 0.79 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3pbh s ARG 235 Cb -1.04 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 3pbh s ARG 235 CO 0.54 0.51 0.00 0.41 -0.81 0.00 0.00 175.30 175.95 3pbh n GLY 236 N 1.21 0.69 0.19 8.12 0.00 -1.26 -4.73 105.19 109.40 3pbh n GLY 236 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3pbh n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3pbh n GLN 237 N -1.98 0.00 -4.04 1.61 6.02 -1.26 -4.99 117.38 112.73 3pbh n GLN 237 Ca 0.00 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.00 56.29 3pbh n GLN 237 Cb 0.15 -0.30 -0.02 0.00 1.02 0.00 0.00 30.24 31.09 3pbh n GLN 237 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3pbh n ASP 238 N 0.00 -1.56 -4.64 1.08 2.03 -1.26 -4.83 116.55 107.38 3pbh n ASP 238 Ca 0.00 -0.99 -0.42 0.00 0.52 0.00 0.00 54.79 53.89 3pbh n ASP 238 Cb 0.55 -3.01 -0.03 0.00 -0.72 0.00 0.00 41.12 37.91 3pbh n ASP 238 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3pbh s HIS 239 N -3.71 1.64 -1.72 -0.67 5.65 -1.26 -2.17 115.29 113.04 3pbh s HIS 239 Ca 0.28 0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.75 3pbh s HIS 239 Cb -0.15 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 3pbh s HIS 239 CO 0.90 -4.17 0.00 0.00 -0.65 0.00 0.00 174.74 170.82 3pbh n GLY 241 N -0.64 0.64 0.39 0.00 0.00 -0.92 0.40 105.19 105.06 3pbh n GLY 241 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.04 3pbh n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3pbh h ILE 242 N 0.00 0.74 0.00 -0.61 6.09 -1.58 -0.86 117.51 121.29 3pbh h ILE 242 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3pbh h ILE 242 Cb 0.00 0.36 0.00 0.00 0.47 0.00 0.00 36.82 37.65 3pbh h ILE 242 CO 0.00 0.06 -0.73 -0.62 -3.07 0.00 0.00 178.15 173.79 3pbh n GLU 243 N -4.46 0.09 -0.05 2.19 1.02 -1.26 -4.50 120.64 113.66 3pbh n GLU 243 Ca 0.16 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 3pbh n GLU 243 Cb 0.62 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 3pbh n GLU 243 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3pbh h SER 244 N 0.00 0.87 -1.94 1.62 0.02 -1.45 -3.30 113.55 109.38 3pbh h SER 244 Ca 0.00 -0.59 -0.59 0.00 -0.84 0.00 0.00 61.79 59.77 3pbh h SER 244 Cb 0.57 -0.25 -0.42 0.00 0.14 0.00 0.00 62.40 62.44 3pbh h SER 244 CO 0.00 1.31 -0.69 -0.62 -1.14 0.00 0.00 176.83 175.69 3pbh n GLU 245 N -4.05 3.31 -3.53 3.45 1.02 -1.25 -4.80 120.64 114.79 3pbh n GLU 245 Ca -0.06 -4.69 -0.37 0.00 -0.02 0.00 0.00 57.16 52.01 3pbh n GLU 245 Cb 0.66 -2.24 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 3pbh n GLU 245 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3pbh s VAL 246 N -4.94 5.20 0.07 2.62 1.01 -1.26 -3.72 120.40 119.39 3pbh s VAL 246 Ca 0.48 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 3pbh s VAL 246 Cb 0.34 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3pbh s VAL 246 CO -0.16 0.48 0.07 0.68 0.00 0.00 0.00 175.10 176.17 3pbh s VAL 247 N -0.28 0.18 0.00 2.92 -7.23 -0.31 -2.02 120.40 113.67 3pbh s VAL 247 Ca 0.21 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3pbh s VAL 247 Cb -0.15 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3pbh s VAL 247 CO 0.08 -0.82 0.00 0.00 -0.31 0.00 0.00 175.10 174.05 3pbh n ALA 248 N 0.02 0.00 -3.60 1.32 0.00 -0.83 -1.81 120.51 115.60 3pbh n ALA 248 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3pbh n ALA 248 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 3pbh n ALA 248 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3pbh s GLY 249 N -1.18 -0.34 0.04 0.00 0.00 -1.26 -1.62 107.32 102.96 3pbh s GLY 249 Ca 0.00 1.51 -0.02 0.00 0.00 0.00 0.00 44.72 46.20 3pbh s GLY 249 CO 0.00 0.44 0.22 -0.42 0.00 0.00 0.00 173.10 173.34 3pbh s ILE 250 N -2.01 5.37 0.55 0.90 1.09 -1.26 -4.97 121.20 120.87 3pbh s ILE 250 Ca 0.13 -0.20 -0.06 0.00 -1.10 0.00 0.00 60.65 59.42 3pbh s ILE 250 Cb 0.03 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 3pbh s ILE 250 CO -0.04 0.22 0.87 -2.16 -0.10 0.00 0.00 174.94 173.73 3pbh s PRO 251 N -2.24 3.27 0.00 2.79 0.04 -1.26 -0.06 135.00 137.54 3pbh s PRO 251 Ca 0.32 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3pbh s PRO 251 Cb -0.13 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3pbh s PRO 251 CO 0.23 -0.48 0.78 2.89 0.04 0.00 0.00 177.00 180.46 3pbh n ARG 252 N -2.48 0.00 -0.98 4.56 1.85 -0.29 -4.58 116.66 114.75 3pbh n ARG 252 Ca 0.03 0.65 0.13 0.00 -1.00 0.00 0.00 57.85 57.66 3pbh n ARG 252 Cb 0.56 -1.28 -0.04 0.00 -1.05 0.00 0.00 32.46 30.64 3pbh n ARG 252 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3pbh n THR 253 N -1.92 0.00 -0.10 8.89 5.66 -1.26 -4.97 114.28 120.58 3pbh n THR 253 Ca 0.00 0.25 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 3pbh n THR 253 Cb 0.00 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 3pbh n THR 253 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49