#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3b n GLY 2 N 0.00 0.75 3.33 2.92 0.00 -1.26 -4.92 105.19 106.01 2w3b n GLY 2 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2w3b n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w3b s SER 3 N -1.93 -0.38 0.12 1.61 0.15 -1.26 -4.25 113.70 107.76 2w3b s SER 3 Ca 0.25 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.45 2w3b s SER 3 Cb 0.19 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2w3b s SER 3 CO 0.31 -0.39 -0.15 -0.76 1.20 0.00 0.00 173.24 173.45 2w3b s LEU 4 N -0.80 2.37 -0.02 3.45 1.43 -0.99 -4.57 118.68 119.56 2w3b s LEU 4 Ca -0.09 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2w3b s LEU 4 Cb -0.03 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 2w3b s LEU 4 CO 0.04 -0.10 -0.14 0.20 0.23 0.00 0.00 176.35 176.58 2w3b s ASN 5 N -2.30 1.73 0.08 2.29 0.01 -0.60 -1.96 114.94 114.20 2w3b s ASN 5 Ca 0.08 -0.27 0.09 0.00 -0.71 0.00 0.00 52.86 52.04 2w3b s ASN 5 Cb -0.06 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 2w3b s ASN 5 CO 0.03 0.16 -0.20 0.00 -1.51 0.00 0.00 177.10 175.59 2w3b s ILE 7 N -1.02 0.09 -0.01 0.00 2.07 -0.69 -0.47 121.20 121.17 2w3b s ILE 7 Ca 0.16 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.21 2w3b s ILE 7 Cb -0.10 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.39 2w3b s ILE 7 CO 0.07 0.07 0.49 0.54 -1.91 0.00 0.00 174.94 174.20 2w3b s VAL 8 N 0.46 0.03 -0.10 4.00 0.11 -0.52 -4.53 120.40 119.85 2w3b s VAL 8 Ca -0.04 -0.27 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 2w3b s VAL 8 Cb -0.06 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2w3b s VAL 8 CO -0.01 -0.15 -0.19 0.00 -3.33 0.00 0.00 175.10 171.42 2w3b s ALA 9 N -1.67 2.40 0.02 1.54 0.00 -1.26 -1.02 121.76 121.77 2w3b s ALA 9 Ca -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2w3b s ALA 9 Cb -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2w3b s ALA 9 CO 0.04 0.32 -0.07 0.08 0.00 0.00 0.00 175.76 176.13 2w3b s VAL 10 N 0.17 0.51 0.76 0.00 1.01 0.06 -4.60 120.40 118.31 2w3b s VAL 10 Ca -0.11 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 2w3b s VAL 10 Cb -0.16 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.80 2w3b s VAL 10 CO 0.06 -0.11 1.09 -0.94 0.00 0.00 0.00 175.10 175.20 2w3b s SER 11 N -0.81 4.56 0.41 3.32 1.04 -0.31 -0.29 113.70 121.61 2w3b s SER 11 Ca -0.03 0.50 0.09 0.00 0.48 0.00 0.00 55.95 56.98 2w3b s SER 11 Cb -0.06 -1.04 0.88 0.00 0.10 0.00 0.00 66.02 65.90 2w3b s SER 11 CO 0.00 -1.79 2.02 -0.61 0.98 0.00 0.00 173.24 173.84 2w3b h GLN 12 N -0.82 0.54 -0.80 4.02 4.15 -0.65 0.28 115.11 121.83 2w3b h GLN 12 Ca -0.45 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 2w3b h GLN 12 Cb 1.31 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2w3b h GLN 12 CO 0.59 0.36 0.01 0.27 -1.93 0.00 0.00 178.83 178.13 2w3b n ASN 13 N -4.47 3.31 -0.40 -0.69 6.94 -1.26 -4.89 115.26 113.80 2w3b n ASN 13 Ca 0.06 -2.46 -0.05 0.00 -0.02 0.00 0.00 54.58 52.11 2w3b n ASN 13 Cb 0.17 -0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 36.97 2w3b n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2w3b n MET 14 N 0.29 -0.47 -2.80 -3.83 2.81 0.09 -4.98 117.12 108.23 2w3b n MET 14 Ca 0.14 0.62 -0.40 0.00 -1.81 0.00 0.00 57.70 56.25 2w3b n MET 14 Cb 0.72 -4.33 -0.06 0.00 -0.71 0.00 0.00 33.22 28.84 2w3b n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2w3b s GLY 15 N -2.77 3.04 0.00 3.03 0.00 -1.25 -0.64 107.32 108.74 2w3b s GLY 15 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2w3b s GLY 15 CO 0.00 1.19 0.00 0.29 0.00 0.00 0.00 173.10 174.58 2w3b n ILE 16 N 1.87 0.00 -3.68 0.90 -5.35 0.52 -1.17 119.36 112.46 2w3b n ILE 16 Ca -0.02 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 2w3b n ILE 16 Cb 0.48 0.55 -0.06 0.00 -1.74 0.00 0.00 39.64 38.87 2w3b n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2w3b s GLY 17 N -1.79 -0.24 -0.20 3.28 0.00 -1.07 -4.40 107.32 102.91 2w3b s GLY 17 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 2w3b s GLY 17 CO 0.00 -0.08 0.42 1.25 0.00 0.00 0.00 173.10 174.68 2w3b s LYS 18 N -2.79 0.32 -1.49 2.90 2.47 0.15 -0.81 119.74 120.49 2w3b s LYS 18 Ca -0.03 1.02 -0.12 0.00 -1.56 0.00 0.00 55.97 55.28 2w3b s LYS 18 Cb -0.00 0.31 0.07 0.00 -1.46 0.00 0.00 37.83 36.75 2w3b s LYS 18 CO -0.05 -0.25 0.99 0.09 0.16 0.00 0.00 175.35 176.29 2w3b n ASN 19 N 5.34 -4.65 0.00 1.43 3.02 -1.26 -1.63 115.26 117.51 2w3b n ASN 19 Ca -0.09 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2w3b n ASN 19 Cb 0.50 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 2w3b n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w3b n GLY 20 N -1.72 0.68 0.49 7.41 0.00 -1.26 -4.98 105.19 105.81 2w3b n GLY 20 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2w3b n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3b n ASP 21 N -0.01 0.56 -4.84 1.61 -0.08 -0.64 -4.65 116.55 108.49 2w3b n ASP 21 Ca 0.00 -1.33 -0.32 0.00 -1.51 0.00 0.00 54.79 51.63 2w3b n ASP 21 Cb 0.00 0.19 -0.04 0.00 2.34 0.00 0.00 41.12 43.61 2w3b n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2w3b s LEU 22 N 0.00 3.74 0.48 -2.67 1.43 -1.26 -0.68 118.68 119.72 2w3b s LEU 22 Ca 0.04 1.53 0.26 0.00 -1.03 0.00 0.00 54.13 54.93 2w3b s LEU 22 Cb 0.00 -4.43 1.11 0.00 0.03 0.00 0.00 46.19 42.89 2w3b s LEU 22 CO 0.03 -0.50 1.90 -0.65 0.23 0.00 0.00 176.35 177.36 2w3b h PRO 23 N 1.24 0.00 -6.18 1.29 0.11 -1.84 -3.40 132.00 123.22 2w3b h PRO 23 Ca -0.47 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 2w3b h PRO 23 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 2w3b h PRO 23 CO 0.62 0.17 -0.58 1.67 -0.21 0.00 0.00 178.00 179.66 2w3b s TRP 24 N -3.75 2.81 0.81 0.65 -2.14 -1.26 -4.76 118.94 111.29 2w3b s TRP 24 Ca -0.00 -0.23 -0.12 0.00 2.66 0.00 0.00 56.10 58.40 2w3b s TRP 24 Cb 0.11 -1.37 0.08 0.00 -3.10 0.00 0.00 33.47 29.18 2w3b s TRP 24 CO 0.61 0.51 1.16 -2.14 -2.66 0.00 0.00 176.95 174.43 2w3b s PRO 25 N -3.77 1.76 0.22 3.25 0.02 -1.26 -4.91 135.00 130.31 2w3b s PRO 25 Ca 0.34 1.54 -0.32 0.00 0.02 0.00 0.00 61.00 62.58 2w3b s PRO 25 Cb -0.06 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 2w3b s PRO 25 CO 0.22 -2.08 1.62 -2.30 -0.33 0.00 0.00 177.00 174.13 2w3b n PRO 26 N -3.45 2.51 -3.82 5.54 -0.02 -1.26 -4.96 135.00 129.54 2w3b n PRO 26 Ca 0.12 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.15 2w3b n PRO 26 Cb 0.52 -2.69 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 2w3b n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2w3b s LEU 27 N 0.56 5.10 0.16 2.45 1.43 -1.26 -4.98 118.68 122.13 2w3b s LEU 27 Ca 0.72 -2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 51.34 2w3b s LEU 27 Cb -0.56 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 43.94 2w3b s LEU 27 CO 0.40 -0.45 1.69 -0.09 0.23 0.00 0.00 176.35 178.12 2w3b h ARG 28 N 7.63 0.03 0.00 1.70 1.12 -1.98 -1.03 114.38 121.85 2w3b h ARG 28 Ca -0.09 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.68 2w3b h ARG 28 Cb 1.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 2w3b h ARG 28 CO 0.67 0.02 -0.48 -0.91 -3.11 0.00 0.00 179.97 176.17 2w3b h ASN 29 N 0.03 0.00 -0.29 -3.80 2.35 -1.98 -0.69 115.58 111.20 2w3b h ASN 29 Ca 0.17 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2w3b h ASN 29 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2w3b h ASN 29 CO -0.34 0.48 -0.12 -0.08 -1.65 0.00 0.00 177.43 175.72 2w3b h GLU 30 N 0.00 0.59 -0.58 0.81 4.22 -1.85 -0.98 114.58 116.79 2w3b h GLU 30 Ca -0.00 -0.25 0.03 0.00 0.08 0.00 0.00 59.36 59.22 2w3b h GLU 30 Cb 0.90 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2w3b h GLU 30 CO 0.06 0.81 0.34 0.74 -2.18 0.00 0.00 179.01 178.79 2w3b h PHE 31 N 0.34 0.64 -0.56 0.92 0.04 -0.98 -1.25 116.94 116.09 2w3b h PHE 31 Ca 0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2w3b h PHE 31 Cb 0.62 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 2w3b h PHE 31 CO 0.06 0.35 0.24 0.00 -0.60 0.00 0.00 178.31 178.36 2w3b h ARG 32 N 0.67 0.79 0.07 1.51 3.08 -0.93 -0.01 114.38 119.57 2w3b h ARG 32 Ca 0.24 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2w3b h ARG 32 Cb 0.06 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2w3b h ARG 32 CO -0.12 0.63 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.46 2w3b h TYR 33 N 0.79 -0.09 -0.42 3.04 3.20 -0.74 0.92 116.97 123.67 2w3b h TYR 33 Ca 0.19 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2w3b h TYR 33 Cb 0.12 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 2w3b h TYR 33 CO 0.01 0.01 -0.10 0.35 -1.64 0.00 0.00 178.16 176.79 2w3b h PHE 34 N -0.17 -0.20 -0.44 -3.82 3.57 -0.72 -0.51 116.94 114.65 2w3b h PHE 34 Ca -0.01 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2w3b h PHE 34 Cb 0.14 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2w3b h PHE 34 CO -0.05 -0.17 0.23 0.37 -2.23 0.00 0.00 178.31 176.46 2w3b h GLN 35 N 0.01 0.45 -0.10 1.11 4.15 -0.75 -1.77 115.11 118.22 2w3b h GLN 35 Ca 0.20 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2w3b h GLN 35 Cb 0.31 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 2w3b h GLN 35 CO -0.42 0.30 0.05 -0.09 -1.93 0.00 0.00 178.83 176.74 2w3b h ARG 36 N 0.47 0.13 -0.28 1.69 2.43 -0.33 -0.59 114.38 117.90 2w3b h ARG 36 Ca 0.19 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2w3b h ARG 36 Cb 0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2w3b h ARG 36 CO -0.12 0.16 -0.02 0.52 -1.51 0.00 0.00 179.97 179.00 2w3b h MET 37 N 0.07 0.51 0.00 0.20 2.86 -1.04 -1.89 114.93 115.65 2w3b h MET 37 Ca 0.03 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2w3b h MET 37 Cb 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2w3b h MET 37 CO -0.01 0.68 -0.40 1.79 1.06 0.00 0.00 176.91 180.03 2w3b h THR 38 N 0.28 0.80 0.02 2.22 1.35 -1.28 -3.31 112.91 113.00 2w3b h THR 38 Ca 0.08 -1.78 -0.29 0.00 -0.55 0.00 0.00 66.41 63.86 2w3b h THR 38 Cb 0.46 2.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 2w3b h THR 38 CO 0.02 0.40 -1.64 0.74 -0.25 0.00 0.00 175.52 174.78 2w3b h THR 39 N 0.00 0.95 -2.89 6.82 2.02 -1.01 -3.43 112.91 115.36 2w3b h THR 39 Ca -0.00 -2.75 -0.56 0.00 0.77 0.00 0.00 66.41 63.86 2w3b h THR 39 Cb 1.11 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 2w3b h THR 39 CO 0.05 0.62 0.96 -0.89 0.37 0.00 0.00 175.52 176.63 2w3b s THR 40 N -2.61 4.10 0.02 3.16 2.01 -0.72 -4.60 115.64 117.01 2w3b s THR 40 Ca -0.06 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.33 2w3b s THR 40 Cb 0.08 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2w3b s THR 40 CO 0.82 -0.20 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.76 2w3b s SER 41 N 2.54 3.29 0.17 3.53 0.15 -1.26 -4.94 113.70 117.17 2w3b s SER 41 Ca 0.59 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.96 2w3b s SER 41 Cb -0.23 -0.38 0.13 0.00 -1.71 0.00 0.00 66.02 63.83 2w3b s SER 41 CO 0.20 0.28 1.15 0.77 1.20 0.00 0.00 173.24 176.84 2w3b h SER 42 N 4.96 0.00 -3.53 5.45 4.64 -1.94 -3.46 113.55 119.67 2w3b h SER 42 Ca -0.46 -0.11 -0.61 0.00 -0.47 0.00 0.00 61.79 60.14 2w3b h SER 42 Cb 1.14 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.10 2w3b h SER 42 CO 0.45 0.05 -0.25 -0.69 -0.87 0.00 0.00 176.83 175.53 2w3b s VAL 43 N -3.28 5.22 0.31 0.95 1.01 -1.26 -5.05 120.40 118.30 2w3b s VAL 43 Ca 0.02 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 2w3b s VAL 43 Cb 0.11 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 2w3b s VAL 43 CO 0.76 0.25 1.22 -1.83 0.00 0.00 0.00 175.10 175.51 2w3b s GLU 44 N 1.40 4.47 0.00 2.72 1.03 -1.26 -2.82 118.70 124.24 2w3b s GLU 44 Ca 0.17 2.04 0.00 0.00 0.03 0.00 0.00 54.97 57.21 2w3b s GLU 44 Cb -0.15 -3.12 0.00 0.00 -0.80 0.00 0.00 34.13 30.06 2w3b s GLU 44 CO 0.08 -0.03 0.00 0.41 -1.33 0.00 0.00 175.26 174.39 2w3b n GLY 45 N 1.01 0.68 3.33 -3.83 0.00 -1.26 -5.01 105.19 100.11 2w3b n GLY 45 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2w3b n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3b s LYS 46 N -0.04 1.27 0.24 1.61 1.02 -1.13 -4.76 119.74 117.95 2w3b s LYS 46 Ca 0.00 -1.42 0.10 0.00 0.02 0.00 0.00 55.97 54.67 2w3b s LYS 46 Cb 0.00 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 2w3b s LYS 46 CO 0.00 0.26 -0.18 -0.65 -0.92 0.00 0.00 175.35 173.86 2w3b s GLN 47 N -2.86 1.50 0.54 1.68 -0.21 -0.48 -4.81 119.66 115.02 2w3b s GLN 47 Ca 0.16 -1.65 -0.16 0.00 0.02 0.00 0.00 55.36 53.73 2w3b s GLN 47 Cb -0.05 -1.50 -0.07 0.00 1.00 0.00 0.00 33.01 32.39 2w3b s GLN 47 CO 0.06 0.28 1.00 -0.80 -2.12 0.00 0.00 175.29 173.72 2w3b s ASN 48 N -3.29 6.41 -0.18 5.90 0.01 -1.26 -0.76 114.94 121.77 2w3b s ASN 48 Ca 0.25 1.61 -0.07 0.00 -0.71 0.00 0.00 52.86 53.94 2w3b s ASN 48 Cb -0.04 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2w3b s ASN 48 CO 0.11 -0.73 0.06 -0.22 -1.51 0.00 0.00 177.10 174.81 2w3b s LEU 49 N -4.25 3.82 -0.18 0.60 2.96 0.18 -1.05 118.68 120.77 2w3b s LEU 49 Ca 0.60 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 2w3b s LEU 49 Cb -0.11 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2w3b s LEU 49 CO 0.34 0.18 0.02 0.68 -1.32 0.00 0.00 176.35 176.25 2w3b s VAL 50 N 0.35 4.41 -0.17 1.68 -7.23 0.24 -0.90 120.40 118.79 2w3b s VAL 50 Ca 0.03 -0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2w3b s VAL 50 Cb -0.12 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2w3b s VAL 50 CO 0.00 0.47 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.55 2w3b s ILE 51 N 0.44 3.42 0.06 -0.62 1.01 0.08 -0.92 121.20 124.68 2w3b s ILE 51 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2w3b s ILE 51 Cb -0.13 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2w3b s ILE 51 CO 0.01 0.48 0.15 0.00 0.00 0.00 0.00 174.94 175.59 2w3b s MET 52 N 0.70 0.73 0.91 2.79 0.23 -0.62 -1.36 119.30 122.68 2w3b s MET 52 Ca -0.04 -0.87 -0.12 0.00 -1.03 0.00 0.00 55.69 53.63 2w3b s MET 52 Cb -0.15 0.29 0.14 0.00 -1.53 0.00 0.00 34.83 33.58 2w3b s MET 52 CO 0.02 -0.21 1.13 0.20 -2.03 0.00 0.00 175.02 174.14 2w3b s GLY 53 N -2.54 1.58 0.17 3.16 0.00 0.36 -0.45 107.32 109.60 2w3b s GLY 53 Ca 0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.13 2w3b s GLY 53 CO -0.08 0.05 1.60 1.70 0.00 0.00 0.00 173.10 176.37 2w3b h LYS 54 N -1.48 1.04 -0.35 2.90 3.64 -1.88 -1.84 116.57 118.60 2w3b h LYS 54 Ca -0.50 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 58.38 2w3b h LYS 54 Cb 1.33 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2w3b h LYS 54 CO 0.62 1.08 -0.25 0.87 -2.27 0.00 0.00 179.45 179.50 2w3b h LYS 55 N 0.93 0.70 -0.53 1.90 1.57 -1.94 -2.30 116.57 116.91 2w3b h LYS 55 Ca 0.14 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2w3b h LYS 55 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2w3b h LYS 55 CO 0.05 0.88 0.23 1.15 -0.57 0.00 0.00 179.45 181.19 2w3b h THR 56 N 0.61 1.21 -0.17 -0.16 2.02 -1.83 -1.66 112.91 112.92 2w3b h THR 56 Ca 0.08 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.69 2w3b h THR 56 Cb 0.74 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 2w3b h THR 56 CO 0.06 0.24 -0.20 -0.25 0.37 0.00 0.00 175.52 175.74 2w3b h TRP 57 N 0.71 -0.53 0.00 3.16 2.91 -1.03 -1.69 115.95 119.48 2w3b h TRP 57 Ca 0.18 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.23 2w3b h TRP 57 Cb 0.16 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 2w3b h TRP 57 CO 0.00 -0.28 0.00 1.19 -1.03 0.00 0.00 178.44 178.32 2w3b n PHE 58 N -5.34 0.74 0.14 2.65 3.72 -0.89 -2.07 117.46 116.39 2w3b n PHE 58 Ca -0.02 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2w3b n PHE 58 Cb 0.26 -0.94 0.12 0.00 -0.94 0.00 0.00 39.48 37.97 2w3b n PHE 58 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2w3b h SER 59 N 0.00 0.00 -3.12 4.37 0.02 -0.35 -3.45 113.55 111.02 2w3b h SER 59 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2w3b h SER 59 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 2w3b h SER 59 CO 0.00 0.60 0.67 -0.63 -1.14 0.00 0.00 176.83 176.33 2w3b s ILE 60 N -3.23 3.48 0.23 3.27 1.01 -0.88 -4.94 121.20 120.14 2w3b s ILE 60 Ca 0.01 1.09 -0.32 0.00 0.00 0.00 0.00 60.65 61.43 2w3b s ILE 60 Cb 0.10 -3.70 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 2w3b s ILE 60 CO 0.75 0.10 1.38 -2.65 0.00 0.00 0.00 174.94 174.52 2w3b n PRO 61 N 3.69 1.91 -0.34 2.79 -0.02 -1.26 -4.85 135.00 136.92 2w3b n PRO 61 Ca 0.10 0.68 0.18 0.00 -2.02 0.00 0.00 63.50 62.44 2w3b n PRO 61 Cb 0.43 -2.32 0.41 0.00 -0.02 0.00 0.00 33.50 32.00 2w3b n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2w3b h GLU 62 N 4.18 0.56 0.00 -0.52 4.81 -1.92 0.87 114.58 122.56 2w3b h GLU 62 Ca -0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2w3b h GLU 62 Cb 1.28 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2w3b h GLU 62 CO 0.76 0.37 -0.06 1.57 -0.73 0.00 0.00 179.01 180.92 2w3b h LYS 63 N 0.58 0.00 -0.66 1.92 -0.00 -2.01 -2.19 116.57 114.21 2w3b h LYS 63 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.26 2w3b h LYS 63 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2w3b h LYS 63 CO -0.40 0.06 0.00 0.09 -0.00 0.00 0.00 179.45 179.20 2w3b n ASN 64 N -4.11 3.60 -4.66 7.07 3.02 0.29 -4.92 115.26 115.55 2w3b n ASN 64 Ca -0.03 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 2w3b n ASN 64 Cb 0.14 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 2w3b n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2w3b s ARG 65 N -1.12 3.25 0.75 3.52 0.52 -0.83 -2.78 118.95 122.27 2w3b s ARG 65 Ca 0.45 -0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 55.15 2w3b s ARG 65 Cb 0.24 -2.89 0.04 0.00 0.52 0.00 0.00 34.95 32.85 2w3b s ARG 65 CO 0.31 0.58 1.09 -1.25 0.02 0.00 0.00 175.30 176.06 2w3b s PRO 66 N -0.54 2.39 0.03 3.54 0.04 -1.26 -4.99 135.00 134.20 2w3b s PRO 66 Ca 0.09 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 2w3b s PRO 66 Cb -0.12 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2w3b s PRO 66 CO 0.02 -1.55 1.91 1.28 0.04 0.00 0.00 177.00 178.71 2w3b n LEU 67 N -3.29 3.93 -4.77 -3.56 4.77 -1.12 -4.88 117.00 108.08 2w3b n LEU 67 Ca 0.09 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.62 2w3b n LEU 67 Cb 0.53 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 2w3b n LEU 67 CO 0.52 0.12 0.94 -1.59 -1.33 0.00 0.00 177.39 176.05 2w3b s LYS 68 N 3.92 4.08 0.00 3.23 -2.85 -1.26 -3.13 119.74 123.73 2w3b s LYS 68 Ca 0.88 2.10 0.00 0.00 -1.00 0.00 0.00 55.97 57.96 2w3b s LYS 68 Cb -0.52 -2.82 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 2w3b s LYS 68 CO 0.44 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.92 2w3b n GLY 69 N 0.71 0.61 3.11 0.59 0.00 -1.26 -4.99 105.19 103.95 2w3b n GLY 69 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2w3b n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3b s ARG 70 N -0.17 0.66 -0.16 1.61 0.52 -1.18 -4.46 118.95 115.77 2w3b s ARG 70 Ca 0.00 -0.86 -0.27 0.00 -0.52 0.00 0.00 55.73 54.08 2w3b s ARG 70 Cb 0.00 -0.51 -0.01 0.00 0.52 0.00 0.00 34.95 34.95 2w3b s ARG 70 CO 0.00 0.10 0.91 0.42 0.02 0.00 0.00 175.30 176.75 2w3b s ILE 71 N -1.40 4.82 -0.25 1.52 1.01 -0.21 -4.77 121.20 121.91 2w3b s ILE 71 Ca -0.06 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.30 2w3b s ILE 71 Cb -0.10 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2w3b s ILE 71 CO 0.01 -0.01 0.14 0.20 0.00 0.00 0.00 174.94 175.27 2w3b s ASN 72 N 1.15 5.75 -0.10 3.58 0.02 -1.26 -0.59 114.94 123.49 2w3b s ASN 72 Ca 0.42 -0.02 0.03 0.00 -1.02 0.00 0.00 52.86 52.26 2w3b s ASN 72 Cb -0.17 -2.04 0.01 0.00 0.02 0.00 0.00 41.25 39.07 2w3b s ASN 72 CO 0.13 0.01 -0.19 -0.22 0.02 0.00 0.00 177.10 176.84 2w3b s LEU 73 N 1.39 1.92 -0.09 0.60 0.20 -0.10 -1.08 118.68 121.53 2w3b s LEU 73 Ca 0.06 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 2w3b s LEU 73 Cb -0.15 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 2w3b s LEU 73 CO 0.06 0.09 0.00 -0.69 -0.29 0.00 0.00 176.35 175.52 2w3b s VAL 74 N 0.62 4.31 -0.19 1.68 1.01 -0.31 -1.59 120.40 125.93 2w3b s VAL 74 Ca -0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2w3b s VAL 74 Cb -0.16 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2w3b s VAL 74 CO 0.04 0.61 0.17 -0.76 0.00 0.00 0.00 175.10 175.16 2w3b s LEU 75 N -0.88 4.21 -0.24 3.92 1.43 0.40 -1.93 118.68 125.59 2w3b s LEU 75 Ca 0.13 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.26 2w3b s LEU 75 Cb -0.11 -2.17 0.09 0.00 0.03 0.00 0.00 46.19 44.03 2w3b s LEU 75 CO 0.02 0.15 0.82 -0.55 0.23 0.00 0.00 176.35 177.02 2w3b s SER 76 N 0.44 -0.63 -0.00 2.29 0.15 -0.78 -3.01 113.70 112.16 2w3b s SER 76 Ca 0.10 1.12 0.21 0.00 0.70 0.00 0.00 55.95 58.08 2w3b s SER 76 Cb -0.12 1.10 -0.19 0.00 -1.71 0.00 0.00 66.02 65.10 2w3b s SER 76 CO -0.00 -0.28 0.91 0.54 1.20 0.00 0.00 173.24 175.61 2w3b n ARG 77 N 2.18 0.04 -0.10 5.44 1.74 -1.26 -4.05 116.66 120.65 2w3b n ARG 77 Ca -0.14 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.76 2w3b n ARG 77 Cb 0.56 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.36 2w3b n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2w3b n GLU 78 N -1.55 0.67 -2.21 5.56 4.71 -1.26 -4.96 120.64 121.59 2w3b n GLU 78 Ca 0.04 0.15 -0.36 0.00 -0.01 0.00 0.00 57.16 56.97 2w3b n GLU 78 Cb 0.35 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 2w3b n GLU 78 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2w3b s LEU 79 N -6.41 3.87 -0.01 -4.62 1.43 -1.26 -4.96 118.68 106.72 2w3b s LEU 79 Ca -0.28 2.28 0.11 0.00 -1.03 0.00 0.00 54.13 55.21 2w3b s LEU 79 Cb 0.08 -4.41 -0.15 0.00 0.03 0.00 0.00 46.19 41.74 2w3b s LEU 79 CO 0.67 -1.13 0.29 0.29 0.23 0.00 0.00 176.35 176.70 2w3b n LYS 80 N -0.94 1.12 -4.07 1.70 4.76 -1.26 -4.95 118.16 114.52 2w3b n LYS 80 Ca 0.10 -0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 2w3b n LYS 80 Cb 0.49 -1.19 -0.09 0.00 -1.84 0.00 0.00 35.03 32.40 2w3b n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2w3b s GLU 81 N -2.56 0.91 0.60 1.97 1.03 -1.26 -5.09 118.70 114.29 2w3b s GLU 81 Ca -0.02 -1.30 -0.20 0.00 0.03 0.00 0.00 54.97 53.48 2w3b s GLU 81 Cb 0.07 0.27 -0.03 0.00 -0.80 0.00 0.00 34.13 33.64 2w3b s GLU 81 CO 0.44 -0.27 1.32 -2.14 -1.33 0.00 0.00 175.26 173.29 2w3b s PRO 82 N -3.99 2.85 0.69 -4.83 0.02 -1.26 -4.93 135.00 123.55 2w3b s PRO 82 Ca 0.18 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 2w3b s PRO 82 Cb 0.06 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.55 2w3b s PRO 82 CO -0.02 -1.39 1.23 -2.14 -0.33 0.00 0.00 177.00 174.35 2w3b s PRO 83 N -3.15 2.38 -0.03 5.54 0.02 -1.26 -4.84 135.00 133.66 2w3b s PRO 83 Ca 0.77 1.85 -0.36 0.00 0.02 0.00 0.00 61.00 63.29 2w3b s PRO 83 Cb -0.39 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.14 2w3b s PRO 83 CO 0.43 -1.68 1.68 0.94 -0.33 0.00 0.00 177.00 178.05 2w3b n GLN 84 N -2.33 1.80 0.00 5.54 0.00 -1.26 -1.11 117.38 120.03 2w3b n GLN 84 Ca 0.14 0.66 0.00 0.00 -0.00 0.00 0.00 57.00 57.80 2w3b n GLN 84 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 30.24 28.32 2w3b n GLN 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w3b n GLY 85 N 3.78 2.88 3.81 1.69 0.00 -1.26 -4.95 105.19 111.13 2w3b n GLY 85 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2w3b n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3b s ALA 86 N -2.79 2.94 -0.03 4.61 0.00 -0.26 -4.10 121.76 122.12 2w3b s ALA 86 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2w3b s ALA 86 Cb 0.00 -3.21 -0.26 0.00 0.00 0.00 0.00 23.12 19.65 2w3b s ALA 86 CO 0.00 -0.14 0.72 0.45 0.00 0.00 0.00 175.76 176.79 2w3b h HIS 87 N 1.70 0.30 -3.87 0.00 3.86 -1.41 -3.45 115.15 112.28 2w3b h HIS 87 Ca -0.49 -0.22 -0.09 0.00 -1.16 0.00 0.00 60.37 58.40 2w3b h HIS 87 Cb 1.20 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.52 2w3b h HIS 87 CO 0.59 1.34 -0.43 -0.06 0.86 0.00 0.00 177.93 180.23 2w3b s PHE 88 N -2.60 0.21 -0.03 2.45 0.08 -0.90 -4.98 117.98 112.21 2w3b s PHE 88 Ca -0.10 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.32 2w3b s PHE 88 Cb 0.07 -0.12 0.01 0.00 -0.57 0.00 0.00 43.02 42.42 2w3b s PHE 88 CO 0.83 -0.51 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.21 2w3b s LEU 89 N -2.81 1.60 0.08 -0.37 2.96 -1.26 -1.16 118.68 117.72 2w3b s LEU 89 Ca 0.04 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2w3b s LEU 89 Cb 0.05 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2w3b s LEU 89 CO -0.10 0.00 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.41 2w3b s SER 90 N 0.49 1.12 0.00 3.68 0.01 -0.81 -4.96 113.70 113.23 2w3b s SER 90 Ca -0.06 -0.81 0.27 0.00 1.31 0.00 0.00 55.95 56.66 2w3b s SER 90 Cb -0.10 0.05 0.89 0.00 0.21 0.00 0.00 66.02 67.07 2w3b s SER 90 CO 0.00 -0.33 1.65 0.54 0.41 0.00 0.00 173.24 175.51 2w3b n ARG 91 N 0.61 0.91 -3.57 12.44 1.74 -1.26 -1.86 116.66 125.67 2w3b n ARG 91 Ca -0.17 -0.50 -0.06 0.00 -0.77 0.00 0.00 57.85 56.35 2w3b n ARG 91 Cb 0.58 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 2w3b n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2w3b s SER 92 N -2.43 -0.28 0.24 0.55 1.04 -1.26 -4.68 113.70 106.88 2w3b s SER 92 Ca 0.27 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 2w3b s SER 92 Cb 0.20 0.36 0.25 0.00 0.10 0.00 0.00 66.02 66.93 2w3b s SER 92 CO 0.49 -0.60 1.84 0.25 0.98 0.00 0.00 173.24 176.19 2w3b h LEU 93 N 2.00 1.05 -0.76 2.42 5.85 -2.00 -1.97 115.31 121.90 2w3b h LEU 93 Ca -0.21 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2w3b h LEU 93 Cb 1.23 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2w3b h LEU 93 CO 0.29 0.88 0.39 -0.78 -0.34 0.00 0.00 178.44 178.88 2w3b h ASP 94 N 1.14 0.97 -0.62 1.25 1.82 -2.00 -1.57 116.42 117.42 2w3b h ASP 94 Ca 0.28 -0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.75 2w3b h ASP 94 Cb 0.12 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 2w3b h ASP 94 CO -0.03 0.81 0.20 0.44 -1.61 0.00 0.00 179.24 179.05 2w3b h ASP 95 N 1.06 0.90 -0.34 2.28 3.32 -1.91 -2.00 116.42 119.73 2w3b h ASP 95 Ca 0.26 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2w3b h ASP 95 Cb 0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2w3b h ASP 95 CO -0.04 0.87 0.23 0.00 -1.72 0.00 0.00 179.24 178.58 2w3b h ALA 96 N 1.07 0.44 -0.52 3.45 0.00 -0.89 -1.02 119.26 121.78 2w3b h ALA 96 Ca 0.20 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2w3b h ALA 96 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2w3b h ALA 96 CO -0.01 -0.10 -0.07 -0.07 0.00 0.00 0.00 179.25 179.01 2w3b h LEU 97 N 0.47 0.92 -1.23 0.00 3.38 -1.22 -2.47 115.31 115.16 2w3b h LEU 97 Ca 0.13 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2w3b h LEU 97 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2w3b h LEU 97 CO -0.03 1.01 0.53 0.11 0.09 0.00 0.00 178.44 180.16 2w3b h LYS 98 N 0.84 0.98 -0.36 1.13 1.57 -1.15 -2.71 116.57 116.87 2w3b h LYS 98 Ca 0.14 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2w3b h LYS 98 Cb 0.59 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2w3b h LYS 98 CO 0.04 0.65 0.24 1.25 -0.57 0.00 0.00 179.45 181.06 2w3b h LEU 99 N 1.01 0.39 -1.26 2.94 5.85 -0.70 -2.90 115.31 120.64 2w3b h LEU 99 Ca 0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2w3b h LEU 99 Cb 0.02 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2w3b h LEU 99 CO -0.09 0.28 0.00 0.71 -0.34 0.00 0.00 178.44 179.00 2w3b h THR 100 N 0.46 0.00 0.00 1.05 1.35 -1.44 -2.45 112.91 111.88 2w3b h THR 100 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2w3b h THR 100 Cb -0.01 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2w3b h THR 100 CO -0.03 0.00 -1.22 -1.84 -0.25 0.00 0.00 175.52 172.18 2w3b n GLU 101 N -2.57 0.25 -1.05 4.72 0.28 -1.10 -3.42 120.64 117.75 2w3b n GLU 101 Ca 0.01 -0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 2w3b n GLU 101 Cb 0.21 -1.54 0.15 0.00 1.43 0.00 0.00 31.44 31.69 2w3b n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2w3b s GLN 102 N -3.19 1.00 0.33 3.44 -1.52 -0.92 -4.53 119.66 114.27 2w3b s GLN 102 Ca 0.03 0.95 0.05 0.00 -1.95 0.00 0.00 55.36 54.43 2w3b s GLN 102 Cb 0.15 -1.77 0.68 0.00 -0.22 0.00 0.00 33.01 31.85 2w3b s GLN 102 CO 0.85 -2.46 1.88 -1.35 -0.25 0.00 0.00 175.29 173.96 2w3b h PRO 103 N -1.71 0.83 -0.31 2.91 0.11 -1.93 0.25 132.00 132.15 2w3b h PRO 103 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2w3b h PRO 103 Cb 1.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2w3b h PRO 103 CO 0.52 0.55 0.20 1.49 -0.21 0.00 0.00 178.00 180.54 2w3b h GLU 104 N 0.85 0.41 -0.01 1.05 4.81 -1.91 -3.11 114.58 116.66 2w3b h GLU 104 Ca 0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2w3b h GLU 104 Cb 0.49 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2w3b h GLU 104 CO -0.19 0.28 -0.51 1.28 -0.73 0.00 0.00 179.01 179.14 2w3b n LEU 105 N -4.87 1.76 -4.68 1.64 4.77 -1.07 -4.88 117.00 109.68 2w3b n LEU 105 Ca -0.01 -0.65 -0.45 0.00 -0.03 0.00 0.00 56.01 54.86 2w3b n LEU 105 Cb 0.03 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2w3b n LEU 105 CO 0.34 0.34 1.23 0.00 -1.33 0.00 0.00 177.39 177.96 2w3b n ALA 106 N -0.29 1.64 -1.52 -1.18 0.00 0.86 -0.96 120.51 119.05 2w3b n ALA 106 Ca 0.09 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 2w3b n ALA 106 Cb 0.44 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 2w3b n ALA 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2w3b n ASN 107 N 3.52 -5.15 -0.00 0.00 3.02 -1.26 -4.87 115.26 110.52 2w3b n ASN 107 Ca 0.17 0.44 0.05 0.00 -0.03 0.00 0.00 54.58 55.21 2w3b n ASN 107 Cb 0.30 -4.22 -0.07 0.00 -0.61 0.00 0.00 39.78 35.18 2w3b n ASN 107 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2w3b n LYS 108 N -2.48 1.09 -4.23 3.52 5.02 -0.13 -4.72 118.16 116.23 2w3b n LYS 108 Ca -0.18 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.70 2w3b n LYS 108 Cb 0.59 -1.16 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 2w3b n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2w3b s VAL 109 N -2.49 4.35 0.00 -0.18 1.01 -1.25 -1.38 120.40 120.46 2w3b s VAL 109 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2w3b s VAL 109 Cb 0.06 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2w3b s VAL 109 CO 0.39 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 175.33 2w3b n ASP 110 N 3.26 0.00 -4.87 3.32 2.03 0.06 -4.86 116.55 115.49 2w3b n ASP 110 Ca -0.17 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.82 2w3b n ASP 110 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 2w3b n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2w3b s MET 111 N 0.33 3.81 -0.19 -0.67 -1.94 -1.26 -4.90 119.30 114.49 2w3b s MET 111 Ca 0.00 0.33 -0.04 0.00 -1.71 0.00 0.00 55.69 54.27 2w3b s MET 111 Cb 0.00 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 2w3b s MET 111 CO 0.00 0.23 -0.03 0.08 -0.01 0.00 0.00 175.02 175.29 2w3b s VAL 112 N -1.95 3.75 -0.14 -6.03 1.01 -1.26 -0.65 120.40 115.12 2w3b s VAL 112 Ca 0.49 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2w3b s VAL 112 Cb -0.11 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2w3b s VAL 112 CO 0.23 0.45 -0.20 0.26 0.00 0.00 0.00 175.10 175.84 2w3b s TRP 113 N 0.87 2.56 -0.22 5.22 0.52 -0.08 -1.55 118.94 126.26 2w3b s TRP 113 Ca -0.00 -1.32 -0.19 0.00 0.02 0.00 0.00 56.10 54.60 2w3b s TRP 113 Cb -0.14 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 2w3b s TRP 113 CO 0.02 -0.62 0.56 0.42 0.02 0.00 0.00 176.95 177.34 2w3b s ILE 114 N 0.94 5.06 -0.16 2.03 1.09 0.11 -0.74 121.20 129.53 2w3b s ILE 114 Ca -0.05 1.02 0.11 0.00 -1.10 0.00 0.00 60.65 60.63 2w3b s ILE 114 Cb -0.15 -3.88 0.21 0.00 -1.06 0.00 0.00 42.46 37.58 2w3b s ILE 114 CO -0.04 0.12 1.13 1.33 -0.10 0.00 0.00 174.94 177.39 2w3b n VAL 115 N 4.78 1.52 0.00 2.92 0.24 -0.47 -1.71 118.33 125.62 2w3b n VAL 115 Ca -0.03 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2w3b n VAL 115 Cb 0.50 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2w3b n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w3b n GLY 116 N -0.82 1.23 0.00 7.63 0.00 -1.26 -4.96 105.19 107.01 2w3b n GLY 116 Ca 0.10 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2w3b n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3b n GLY 117 N 0.10 1.70 0.40 -0.02 0.00 -1.26 -0.49 105.19 105.62 2w3b n GLY 117 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 2w3b n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w3b h SER 118 N 0.00 -1.10 -0.99 1.61 4.64 -1.98 -1.05 113.55 114.68 2w3b h SER 118 Ca 0.00 0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.51 2w3b h SER 118 Cb 0.00 0.39 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 2w3b h SER 118 CO 0.00 -0.50 0.63 0.77 -0.87 0.00 0.00 176.83 176.86 2w3b h SER 119 N -0.70 0.99 -0.40 4.97 4.64 -1.96 0.09 113.55 121.17 2w3b h SER 119 Ca -0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2w3b h SER 119 Cb 0.68 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2w3b h SER 119 CO -0.15 0.61 0.08 0.58 -0.87 0.00 0.00 176.83 177.08 2w3b h VAL 120 N 1.11 1.24 -0.27 0.95 2.07 -1.68 -1.83 116.25 117.83 2w3b h VAL 120 Ca 0.44 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2w3b h VAL 120 Cb 0.24 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2w3b h VAL 120 CO -0.19 0.29 0.15 1.88 0.02 0.00 0.00 177.57 179.72 2w3b h TYR 121 N 0.51 0.29 -0.44 1.57 0.05 -0.67 -1.83 116.97 116.45 2w3b h TYR 121 Ca 0.12 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.99 2w3b h TYR 121 Cb 0.35 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.93 2w3b h TYR 121 CO 0.02 0.17 0.06 -0.22 -1.05 0.00 0.00 178.16 177.14 2w3b h LYS 122 N 0.32 0.17 0.08 4.88 3.64 -0.66 -0.38 116.57 124.62 2w3b h LYS 122 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2w3b h LYS 122 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2w3b h LYS 122 CO -0.06 0.12 -0.04 1.49 -2.27 0.00 0.00 179.45 178.69 2w3b h GLU 123 N 0.18 -0.10 -0.84 1.90 4.57 -1.26 -3.02 114.58 116.01 2w3b h GLU 123 Ca 0.22 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2w3b h GLU 123 Cb 0.29 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 2w3b h GLU 123 CO -0.31 0.17 0.54 0.00 -1.18 0.00 0.00 179.01 178.23 2w3b h ALA 124 N 0.53 1.06 -0.15 2.92 0.00 -1.16 -1.61 119.26 120.86 2w3b h ALA 124 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2w3b h ALA 124 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2w3b h ALA 124 CO 0.02 0.49 0.10 0.52 0.00 0.00 0.00 179.25 180.38 2w3b h MET 125 N 1.14 0.11 -0.01 0.00 2.07 -1.03 -1.65 114.93 115.55 2w3b h MET 125 Ca 0.30 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.93 2w3b h MET 125 Cb -0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 2w3b h MET 125 CO -0.06 0.07 -0.09 0.09 1.07 0.00 0.00 176.91 177.99 2w3b n ASN 126 N -4.51 1.55 -4.77 1.22 3.02 -0.65 -4.96 115.26 106.15 2w3b n ASN 126 Ca -0.00 -1.39 -0.39 0.00 -0.03 0.00 0.00 54.58 52.77 2w3b n ASN 126 Cb 0.15 0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 2w3b n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2w3b s HIS 127 N -2.15 2.92 0.67 3.10 2.46 -0.62 -4.98 115.29 116.70 2w3b s HIS 127 Ca 0.33 1.48 -0.16 0.00 0.47 0.00 0.00 55.06 57.18 2w3b s HIS 127 Cb 0.20 -3.53 0.01 0.00 -0.13 0.00 0.00 32.58 29.13 2w3b s HIS 127 CO 0.39 -1.72 1.16 -2.14 -2.47 0.00 0.00 174.74 169.95 2w3b s PRO 128 N -2.30 2.59 0.79 2.88 0.02 -1.26 -4.89 135.00 132.83 2w3b s PRO 128 Ca 0.58 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2w3b s PRO 128 Cb -0.34 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2w3b s PRO 128 CO 0.43 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 2w3b n GLY 129 N -0.03 -1.04 3.73 0.52 0.00 -1.26 -4.92 105.19 102.19 2w3b n GLY 129 Ca 0.12 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2w3b n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2w3b s HIS 130 N 0.00 3.75 -0.07 1.61 5.65 -1.18 -3.45 115.29 121.60 2w3b s HIS 130 Ca 0.00 1.64 -0.04 0.00 0.25 0.00 0.00 55.06 56.91 2w3b s HIS 130 Cb 0.00 -2.96 0.03 0.00 -1.18 0.00 0.00 32.58 28.47 2w3b s HIS 130 CO 0.00 0.20 0.17 -0.51 -0.65 0.00 0.00 174.74 173.95 2w3b s LEU 131 N 0.13 0.90 -0.09 8.88 2.01 -0.44 -2.34 118.68 127.74 2w3b s LEU 131 Ca 0.44 0.35 0.02 0.00 0.01 0.00 0.00 54.13 54.95 2w3b s LEU 131 Cb -0.22 0.49 -0.02 0.00 0.01 0.00 0.00 46.19 46.46 2w3b s LEU 131 CO 0.26 -0.12 -0.16 -0.54 1.01 0.00 0.00 176.35 176.81 2w3b s LYS 132 N 0.81 2.89 -0.24 1.70 1.02 -0.83 -1.34 119.74 123.76 2w3b s LYS 132 Ca -0.06 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2w3b s LYS 132 Cb -0.08 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2w3b s LYS 132 CO -0.04 0.40 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.22 2w3b s LEU 133 N -0.16 3.03 -0.50 3.17 1.43 0.11 -0.72 118.68 125.04 2w3b s LEU 133 Ca -0.01 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 2w3b s LEU 133 Cb -0.14 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.47 2w3b s LEU 133 CO 0.03 -0.09 0.52 -0.36 0.23 0.00 0.00 176.35 176.68 2w3b s PHE 134 N 1.38 3.15 -0.22 0.29 0.40 0.38 -0.73 117.98 122.63 2w3b s PHE 134 Ca 0.03 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.57 2w3b s PHE 134 Cb -0.16 -3.40 0.01 0.00 0.51 0.00 0.00 43.02 39.99 2w3b s PHE 134 CO -0.05 -0.93 -0.10 0.08 0.70 0.00 0.00 175.22 174.92 2w3b s VAL 135 N 2.13 2.80 -0.36 -0.44 1.01 -0.14 -1.44 120.40 123.97 2w3b s VAL 135 Ca 0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2w3b s VAL 135 Cb -0.22 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2w3b s VAL 135 CO 0.09 0.39 0.66 -0.89 0.00 0.00 0.00 175.10 175.35 2w3b s THR 136 N 1.37 4.86 -0.56 3.92 2.01 -0.19 -0.34 115.64 126.72 2w3b s THR 136 Ca 0.04 0.63 -0.22 0.00 0.31 0.00 0.00 61.69 62.44 2w3b s THR 136 Cb -0.15 -4.10 0.05 0.00 0.01 0.00 0.00 72.50 68.32 2w3b s THR 136 CO -0.07 -0.33 0.85 -0.13 -0.69 0.00 0.00 174.62 174.25 2w3b s ARG 137 N 2.77 3.23 -0.36 4.92 1.81 0.30 -0.76 118.95 130.87 2w3b s ARG 137 Ca 0.25 -0.54 -0.28 0.00 -1.72 0.00 0.00 55.73 53.44 2w3b s ARG 137 Cb -0.14 -4.10 0.02 0.00 -0.45 0.00 0.00 34.95 30.28 2w3b s ARG 137 CO 0.15 -1.47 1.03 0.42 -0.68 0.00 0.00 175.30 174.75 2w3b s ILE 138 N 3.58 4.50 -0.24 1.52 1.01 0.60 -1.44 121.20 130.74 2w3b s ILE 138 Ca 0.25 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.35 2w3b s ILE 138 Cb -0.15 -4.41 0.13 0.00 0.01 0.00 0.00 42.46 38.04 2w3b s ILE 138 CO 0.16 -0.57 2.15 0.23 0.00 0.00 0.00 174.94 176.91 2w3b n MET 139 N 6.96 1.66 -3.70 2.79 2.81 -0.44 -2.04 117.12 125.15 2w3b n MET 139 Ca 0.10 -1.21 -0.09 0.00 -1.81 0.00 0.00 57.70 54.69 2w3b n MET 139 Cb 0.48 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 2w3b n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2w3b s GLN 140 N -1.23 1.51 0.37 0.03 -2.07 -1.26 -4.92 119.66 112.09 2w3b s GLN 140 Ca 0.27 -0.81 -0.24 0.00 -1.82 0.00 0.00 55.36 52.75 2w3b s GLN 140 Cb 0.20 0.57 -0.10 0.00 -1.09 0.00 0.00 33.01 32.59 2w3b s GLN 140 CO -0.02 -0.67 1.00 -0.51 -1.32 0.00 0.00 175.29 173.77 2w3b s ASP 141 N -2.86 7.00 0.01 12.60 1.11 -1.26 -1.46 116.67 131.80 2w3b s ASP 141 Ca 0.08 1.92 0.00 0.00 0.18 0.00 0.00 52.55 54.74 2w3b s ASP 141 Cb -0.03 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 2w3b s ASP 141 CO -0.02 -0.32 -0.01 -0.36 1.18 0.00 0.00 175.17 175.64 2w3b s PHE 142 N -1.70 0.12 0.11 4.23 0.08 -1.26 -4.94 117.98 114.62 2w3b s PHE 142 Ca 0.55 -0.23 -0.31 0.00 0.12 0.00 0.00 56.93 57.06 2w3b s PHE 142 Cb -0.19 -0.09 -0.10 0.00 -0.57 0.00 0.00 43.02 42.07 2w3b s PHE 142 CO 0.25 -0.08 1.73 -2.00 -0.10 0.00 0.00 175.22 175.01 2w3b s GLU 143 N -0.64 4.17 0.05 0.44 2.12 -1.26 -4.81 118.70 118.76 2w3b s GLU 143 Ca -0.07 2.46 -0.03 0.00 0.36 0.00 0.00 54.97 57.70 2w3b s GLU 143 Cb -0.04 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2w3b s GLU 143 CO -0.00 -0.77 0.02 -1.12 -0.54 0.00 0.00 175.26 172.84 2w3b s SER 144 N 2.38 0.34 0.00 -1.70 0.01 -1.26 -4.74 113.70 108.73 2w3b s SER 144 Ca 0.77 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2w3b s SER 144 Cb -0.43 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2w3b s SER 144 CO 0.34 -0.54 0.39 -0.90 0.41 0.00 0.00 173.24 172.94 2w3b n ASP 145 N 0.49 0.76 -3.89 2.44 5.68 0.01 -4.97 116.55 117.07 2w3b n ASP 145 Ca -0.17 -1.05 -0.16 0.00 -0.50 0.00 0.00 54.79 52.91 2w3b n ASP 145 Cb 0.60 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.42 2w3b n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2w3b s THR 146 N -0.05 0.29 0.09 2.12 2.01 -1.05 -5.00 115.64 114.06 2w3b s THR 146 Ca 0.00 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2w3b s THR 146 Cb 0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2w3b s THR 146 CO 0.00 0.13 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.59 2w3b s PHE 147 N 0.46 1.06 -0.12 4.92 0.40 -1.26 -0.36 117.98 123.09 2w3b s PHE 147 Ca -0.05 -0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.62 2w3b s PHE 147 Cb -0.08 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 2w3b s PHE 147 CO -0.01 0.01 0.05 0.12 0.70 0.00 0.00 175.22 176.09 2w3b s PHE 148 N -2.22 3.30 0.81 0.36 5.36 0.19 -4.70 117.98 121.08 2w3b s PHE 148 Ca 0.04 0.25 -0.12 0.00 -0.96 0.00 0.00 56.93 56.14 2w3b s PHE 148 Cb -0.04 -1.89 0.08 0.00 -0.34 0.00 0.00 43.02 40.82 2w3b s PHE 148 CO 0.00 0.47 1.10 -1.25 -1.46 0.00 0.00 175.22 174.09 2w3b s PRO 149 N -0.65 1.98 0.37 10.12 0.04 -1.26 -4.83 135.00 140.77 2w3b s PRO 149 Ca 0.11 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 2w3b s PRO 149 Cb -0.12 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2w3b s PRO 149 CO 0.02 -1.68 1.47 -1.83 0.04 0.00 0.00 177.00 175.02 2w3b s GLU 150 N -5.17 4.14 0.18 4.56 1.03 -1.26 -4.99 118.70 117.19 2w3b s GLU 150 Ca 0.61 2.53 -0.30 0.00 0.03 0.00 0.00 54.97 57.84 2w3b s GLU 150 Cb -0.14 -2.98 -0.08 0.00 -0.80 0.00 0.00 34.13 30.13 2w3b s GLU 150 CO 0.54 -0.50 0.97 0.42 -1.33 0.00 0.00 175.26 175.36 2w3b s ILE 151 N -1.06 4.21 -0.54 1.83 1.01 -1.26 -5.00 121.20 120.38 2w3b s ILE 151 Ca 0.53 2.02 -0.27 0.00 0.00 0.00 0.00 60.65 62.93 2w3b s ILE 151 Cb -0.46 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 37.76 2w3b s ILE 151 CO 0.61 0.40 1.09 -0.62 0.00 0.00 0.00 174.94 176.43 2w3b s ASP 152 N -0.59 6.46 0.00 3.58 -1.08 -1.26 -4.90 116.67 118.88 2w3b s ASP 152 Ca 0.44 0.06 0.22 0.00 -0.52 0.00 0.00 52.55 52.75 2w3b s ASP 152 Cb -0.25 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 39.76 2w3b s ASP 152 CO 0.32 -1.34 1.70 0.18 0.52 0.00 0.00 175.17 176.55 2w3b n LEU 153 N 7.97 0.00 0.02 -1.34 4.77 -1.26 -0.80 117.00 126.36 2w3b n LEU 153 Ca 0.07 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2w3b n LEU 153 Cb 0.49 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 2w3b n LEU 153 CO 0.69 -0.09 0.91 -0.08 -1.33 0.00 0.00 177.39 177.48 2w3b h GLU 154 N 0.00 0.47 0.00 3.23 4.57 -2.03 -3.35 114.58 117.47 2w3b h GLU 154 Ca 0.00 -0.11 -0.43 0.00 -1.18 0.00 0.00 59.36 57.64 2w3b h GLU 154 Cb 0.24 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 2w3b h GLU 154 CO 0.00 0.54 -2.52 1.63 -1.18 0.00 0.00 179.01 177.48 2w3b n LYS 155 N -4.26 0.61 -4.03 1.92 5.02 -0.52 -5.01 118.16 111.89 2w3b n LYS 155 Ca 0.01 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.19 2w3b n LYS 155 Cb 0.27 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2w3b n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2w3b s TYR 156 N -2.51 3.36 -0.07 2.13 2.02 0.02 -4.44 117.35 117.84 2w3b s TYR 156 Ca -0.37 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2w3b s TYR 156 Cb 0.12 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2w3b s TYR 156 CO 0.54 0.57 -0.17 0.15 -1.57 0.00 0.00 175.55 175.07 2w3b s LYS 157 N -1.96 2.77 -0.13 -0.62 3.01 -0.38 -4.33 119.74 118.10 2w3b s LYS 157 Ca 0.26 -0.75 -0.29 0.00 -1.01 0.00 0.00 55.97 54.18 2w3b s LYS 157 Cb -0.12 -2.39 -0.02 0.00 -1.01 0.00 0.00 37.83 34.28 2w3b s LYS 157 CO 0.18 0.44 1.27 -1.17 0.51 0.00 0.00 175.35 176.58 2w3b s LEU 158 N -0.27 4.22 0.20 3.17 2.96 -1.26 -1.35 118.68 126.34 2w3b s LEU 158 Ca 0.01 1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 55.38 2w3b s LEU 158 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2w3b s LEU 158 CO 0.03 -0.72 0.97 -0.76 -1.32 0.00 0.00 176.35 174.54 2w3b s LEU 159 N 3.16 4.58 0.31 -0.68 1.43 0.15 -4.94 118.68 122.69 2w3b s LEU 159 Ca 0.56 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.68 2w3b s LEU 159 Cb -0.23 -3.60 0.50 0.00 0.03 0.00 0.00 46.19 42.88 2w3b s LEU 159 CO 0.17 0.04 1.71 1.55 0.23 0.00 0.00 176.35 180.05 2w3b h PRO 160 N 4.65 0.11 -3.50 1.29 0.13 -1.95 -3.43 132.00 129.31 2w3b h PRO 160 Ca -0.44 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2w3b h PRO 160 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2w3b h PRO 160 CO 0.69 0.55 0.01 -1.83 -0.23 0.00 0.00 178.00 177.20 2w3b s GLU 161 N -4.00 1.81 -0.14 0.86 1.03 -1.26 -5.02 118.70 111.98 2w3b s GLU 161 Ca -0.03 -1.35 -0.10 0.00 0.03 0.00 0.00 54.97 53.52 2w3b s GLU 161 Cb 0.13 0.52 0.05 0.00 -0.80 0.00 0.00 34.13 34.03 2w3b s GLU 161 CO 0.76 -0.79 0.35 -0.47 -1.33 0.00 0.00 175.26 173.78 2w3b s TYR 162 N -3.44 -0.46 0.31 4.83 5.04 -1.26 -5.03 117.35 117.33 2w3b s TYR 162 Ca 0.21 1.05 -0.30 0.00 -2.44 0.00 0.00 57.07 55.59 2w3b s TYR 162 Cb -0.02 0.17 -0.11 0.00 0.35 0.00 0.00 41.96 42.34 2w3b s TYR 162 CO 0.12 -0.26 1.57 -2.14 -1.34 0.00 0.00 175.55 173.50 2w3b s PRO 163 N 0.89 4.12 0.00 4.97 0.02 -1.26 -2.05 135.00 141.69 2w3b s PRO 163 Ca -0.06 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2w3b s PRO 163 Cb -0.06 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2w3b s PRO 163 CO -0.07 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 2w3b n GLY 164 N 1.84 1.07 3.18 0.52 0.00 -1.26 -5.03 105.19 105.50 2w3b n GLY 164 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2w3b n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w3b s VAL 165 N -3.00 2.02 0.33 1.61 1.01 -0.87 -5.11 120.40 116.38 2w3b s VAL 165 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2w3b s VAL 165 Cb 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 2w3b s VAL 165 CO 0.00 0.55 1.33 -0.76 0.00 0.00 0.00 175.10 176.21 2w3b s LEU 166 N 0.63 4.42 -0.07 3.92 1.43 -1.26 -4.57 118.68 123.18 2w3b s LEU 166 Ca -0.12 2.72 0.17 0.00 -1.03 0.00 0.00 54.13 55.88 2w3b s LEU 166 Cb -0.16 -3.65 -0.22 0.00 0.03 0.00 0.00 46.19 42.18 2w3b s LEU 166 CO 0.02 -0.57 0.46 -1.20 0.23 0.00 0.00 176.35 175.29 2w3b n SER 167 N 0.84 0.41 -4.87 2.29 7.64 -1.26 -4.42 113.62 114.25 2w3b n SER 167 Ca 0.00 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 2w3b n SER 167 Cb 0.41 0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 64.32 2w3b n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2w3b s ASP 168 N -5.54 6.34 0.23 6.43 1.01 -1.26 -4.84 116.67 119.05 2w3b s ASP 168 Ca -0.07 1.34 -0.32 0.00 0.71 0.00 0.00 52.55 54.22 2w3b s ASP 168 Cb 0.08 -2.43 -0.12 0.00 1.01 0.00 0.00 42.92 41.47 2w3b s ASP 168 CO 0.83 -0.72 1.66 0.52 0.21 0.00 0.00 175.17 177.68 2w3b n VAL 169 N -2.29 0.36 -3.97 -1.27 0.31 -1.26 -4.70 118.33 105.49 2w3b n VAL 169 Ca 0.05 -0.09 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 2w3b n VAL 169 Cb 0.54 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 2w3b n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2w3b s GLN 170 N 0.57 3.42 -0.13 5.55 -1.52 0.91 -4.95 119.66 123.50 2w3b s GLN 170 Ca 0.72 -0.75 -0.06 0.00 -1.95 0.00 0.00 55.36 53.32 2w3b s GLN 170 Cb -0.52 -2.89 0.06 0.00 -0.22 0.00 0.00 33.01 29.44 2w3b s GLN 170 CO 0.38 0.44 0.28 -2.00 -0.25 0.00 0.00 175.29 174.14 2w3b s GLU 171 N -3.87 0.21 -0.02 2.91 2.12 -1.26 -1.10 118.70 117.68 2w3b s GLU 171 Ca 0.34 0.68 0.01 0.00 0.36 0.00 0.00 54.97 56.35 2w3b s GLU 171 Cb -0.09 -0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.26 2w3b s GLU 171 CO 0.29 -0.22 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.57 2w3b s GLU 172 N 1.84 0.23 -1.54 4.30 2.02 -0.78 -4.85 118.70 119.92 2w3b s GLU 172 Ca -0.04 0.02 -0.13 0.00 0.02 0.00 0.00 54.97 54.84 2w3b s GLU 172 Cb -0.11 -0.35 0.09 0.00 0.10 0.00 0.00 34.13 33.86 2w3b s GLU 172 CO -0.09 -0.06 0.92 1.63 0.02 0.00 0.00 175.26 177.67 2w3b n LYS 173 N 3.71 -5.07 -0.81 1.61 4.76 -1.26 -0.89 118.16 120.21 2w3b n LYS 173 Ca -0.22 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 2w3b n LYS 173 Cb 0.54 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.35 2w3b n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2w3b n GLY 174 N -1.65 0.34 3.52 0.72 0.00 -1.26 -4.97 105.19 101.89 2w3b n GLY 174 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2w3b n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3b s ILE 175 N -1.95 4.94 0.12 -0.61 1.01 -0.07 -5.08 121.20 119.57 2w3b s ILE 175 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 2w3b s ILE 175 Cb 0.00 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 2w3b s ILE 175 CO 0.00 0.22 0.75 -0.54 0.00 0.00 0.00 174.94 175.37 2w3b s LYS 176 N 1.70 4.51 0.15 2.79 1.02 -1.26 -1.87 119.74 126.78 2w3b s LYS 176 Ca 0.06 1.09 -0.13 0.00 0.02 0.00 0.00 55.97 57.01 2w3b s LYS 176 Cb -0.16 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2w3b s LYS 176 CO 0.08 0.50 0.37 1.52 -0.92 0.00 0.00 175.35 176.90 2w3b s TYR 177 N -0.85 0.06 0.00 3.18 -0.85 -0.26 -1.33 117.35 117.31 2w3b s TYR 177 Ca 0.36 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.48 2w3b s TYR 177 Cb -0.22 0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 2w3b s TYR 177 CO 0.25 -0.75 0.02 -1.59 -1.52 0.00 0.00 175.55 171.96 2w3b s LYS 178 N -3.88 0.23 -0.25 -3.49 -2.85 -0.52 -0.06 119.74 108.92 2w3b s LYS 178 Ca 0.09 -0.31 -0.19 0.00 -1.00 0.00 0.00 55.97 54.56 2w3b s LYS 178 Cb 0.02 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2w3b s LYS 178 CO -0.05 -0.04 0.55 -0.06 0.10 0.00 0.00 175.35 175.84 2w3b s PHE 179 N -0.86 3.29 0.12 1.78 0.08 -1.26 -0.54 117.98 120.58 2w3b s PHE 179 Ca -0.09 0.71 0.07 0.00 0.12 0.00 0.00 56.93 57.74 2w3b s PHE 179 Cb -0.06 -2.74 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2w3b s PHE 179 CO -0.00 -0.26 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.57 2w3b s GLU 180 N 2.22 2.16 -0.09 0.44 2.02 0.54 -4.81 118.70 121.19 2w3b s GLU 180 Ca 0.23 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.19 2w3b s GLU 180 Cb -0.16 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.78 2w3b s GLU 180 CO 0.09 0.50 -0.12 0.08 0.02 0.00 0.00 175.26 175.83 2w3b s VAL 181 N -1.31 1.23 0.16 2.63 1.01 -1.26 -0.96 120.40 121.90 2w3b s VAL 181 Ca 0.22 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2w3b s VAL 181 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2w3b s VAL 181 CO 0.15 0.38 -0.06 -0.31 0.00 0.00 0.00 175.10 175.26 2w3b s TYR 182 N 0.96 2.73 -0.04 5.22 1.51 0.09 -0.67 117.35 127.15 2w3b s TYR 182 Ca -0.08 -0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 55.74 2w3b s TYR 182 Cb -0.15 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2w3b s TYR 182 CO -0.00 0.50 0.15 -2.00 -1.11 0.00 0.00 175.55 173.09 2w3b s GLU 183 N -2.75 0.31 0.02 -0.62 2.12 -0.46 -0.71 118.70 116.60 2w3b s GLU 183 Ca 0.25 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.61 2w3b s GLU 183 Cb -0.09 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 2w3b s GLU 183 CO 0.16 -0.06 -0.15 -1.59 -0.54 0.00 0.00 175.26 173.08 2w3b s LYS 184 N -0.50 1.10 0.03 4.30 -2.85 -0.45 -1.25 119.74 120.13 2w3b s LYS 184 Ca -0.06 -0.68 0.20 0.00 -1.00 0.00 0.00 55.97 54.44 2w3b s LYS 184 Cb -0.04 -1.11 -0.19 0.00 -2.06 0.00 0.00 37.83 34.44 2w3b s LYS 184 CO 0.01 0.29 0.66 0.09 0.10 0.00 0.00 175.35 176.49 2w3b n ASN 185 N 2.26 0.44 0.00 0.03 5.03 -1.26 -1.32 115.26 120.43 2w3b n ASN 185 Ca -0.16 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.47 2w3b n ASN 185 Cb 0.55 1.01 0.00 0.00 -1.02 0.00 0.00 39.78 40.31 2w3b n ASN 185 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90