#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 1.04 3.58 2.92 0.00 -1.26 -4.90 105.19 106.57 2w3b n GLY 2 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.73 -0.66 0.14 1.61 0.15 -1.26 -4.12 113.70 107.82 2w3b s SER 3 Ca 0.34 1.01 0.09 0.00 0.70 0.00 0.00 55.95 58.09 2w3b s SER 3 Cb 0.21 0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 2w3b s SER 3 CO 0.30 -0.40 -0.22 -0.76 1.20 0.00 0.00 173.24 173.36 2w3b s LEU 4 N -0.42 2.36 -0.06 3.45 1.43 -0.82 -4.64 118.68 119.98 2w3b s LEU 4 Ca -0.05 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 2w3b s LEU 4 Cb -0.02 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2w3b s LEU 4 CO 0.04 0.06 -0.24 0.20 0.23 0.00 0.00 176.35 176.65 2w3b s ASN 5 N -2.24 3.20 0.02 2.29 0.01 -0.64 -1.73 114.94 115.85 2w3b s ASN 5 Ca 0.12 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2w3b s ASN 5 Cb -0.09 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 2w3b s ASN 5 CO 0.06 0.25 0.00 0.00 -1.51 0.00 0.00 177.10 175.90 2w3b s ILE 7 N -1.15 0.41 0.02 0.00 2.07 -0.69 -0.41 121.20 121.46 2w3b s ILE 7 Ca 0.21 -0.16 -0.21 0.00 -1.41 0.00 0.00 60.65 59.09 2w3b s ILE 7 Cb -0.12 -0.39 0.04 0.00 0.13 0.00 0.00 42.46 42.13 2w3b s ILE 7 CO 0.12 0.15 0.47 0.54 -1.91 0.00 0.00 174.94 174.31 2w3b s VAL 8 N 0.28 0.04 -0.05 4.00 0.11 -0.43 -4.55 120.40 119.79 2w3b s VAL 8 Ca -0.03 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 58.75 2w3b s VAL 8 Cb -0.07 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2w3b s VAL 8 CO -0.00 -0.18 -0.24 0.00 -3.33 0.00 0.00 175.10 171.35 2w3b s ALA 9 N -2.13 2.24 -0.06 1.54 0.00 -1.26 -0.91 121.76 121.16 2w3b s ALA 9 Ca -0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 2w3b s ALA 9 Cb -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2w3b s ALA 9 CO 0.00 0.44 0.15 0.54 0.00 0.00 0.00 175.76 176.90 2w3b s VAL 10 N -0.28 -0.03 0.95 0.00 0.11 0.03 -4.60 120.40 116.59 2w3b s VAL 10 Ca 0.00 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 2w3b s VAL 10 Cb -0.13 -0.23 0.16 0.00 -1.53 0.00 0.00 36.38 34.65 2w3b s VAL 10 CO 0.03 0.04 1.17 -0.94 -3.33 0.00 0.00 175.10 172.07 2w3b s SER 11 N 0.66 3.17 0.42 3.54 1.04 -0.34 -1.21 113.70 120.98 2w3b s SER 11 Ca -0.05 0.76 0.09 0.00 0.48 0.00 0.00 55.95 57.23 2w3b s SER 11 Cb -0.07 -1.18 0.88 0.00 0.10 0.00 0.00 66.02 65.76 2w3b s SER 11 CO -0.03 -2.74 2.02 -0.61 0.98 0.00 0.00 173.24 172.86 2w3b h GLN 12 N -1.63 0.38 -0.80 4.02 4.15 -0.80 0.63 115.11 121.06 2w3b h GLN 12 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2w3b h GLN 12 Cb 1.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2w3b h GLN 12 CO 0.54 0.32 0.00 0.27 -1.93 0.00 0.00 178.83 178.03 2w3b n ASN 13 N -4.42 2.91 -0.48 -0.69 6.94 -1.26 -4.90 115.26 113.36 2w3b n ASN 13 Ca 0.01 -2.37 -0.06 0.00 -0.02 0.00 0.00 54.58 52.14 2w3b n ASN 13 Cb 0.13 -0.56 -0.03 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 0.27 -0.72 -2.68 -3.83 2.81 0.21 -4.97 117.12 108.21 2w3b n MET 14 Ca 0.12 0.63 -0.39 0.00 -1.81 0.00 0.00 57.70 56.25 2w3b n MET 14 Cb 0.63 -4.45 -0.06 0.00 -0.71 0.00 0.00 33.22 28.63 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 -2.61 2.98 0.00 3.03 0.00 -1.25 -0.58 107.32 108.89 2w3b s GLY 15 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 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 1.00 0.00 -3.71 0.90 -5.35 0.45 -1.20 119.36 111.46 2w3b n ILE 16 Ca 0.00 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 2w3b n ILE 16 Cb 0.48 0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.78 -0.18 -0.20 3.28 0.00 -1.12 -4.41 107.32 102.90 2w3b s GLY 17 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.64 2w3b s GLY 17 CO 0.00 -0.25 0.41 1.25 0.00 0.00 0.00 173.10 174.52 2w3b s LYS 18 N -3.09 0.32 -1.50 2.90 2.47 0.25 -0.88 119.74 120.21 2w3b s LYS 18 Ca -0.01 1.01 -0.13 0.00 -1.56 0.00 0.00 55.97 55.28 2w3b s LYS 18 Cb 0.01 0.29 0.07 0.00 -1.46 0.00 0.00 37.83 36.74 2w3b s LYS 18 CO -0.07 -0.27 1.04 0.09 0.16 0.00 0.00 175.35 176.30 2w3b n ASN 19 N 5.39 -5.23 -0.06 1.43 3.02 -1.26 -1.37 115.26 117.17 2w3b n ASN 19 Ca -0.08 -0.72 -0.01 0.00 -0.03 0.00 0.00 54.58 53.74 2w3b n ASN 19 Cb 0.49 -4.15 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.77 0.47 0.59 7.41 0.00 -1.26 -4.99 105.19 105.64 2w3b n GLY 20 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.16 -0.02 -4.85 1.61 -0.08 -0.47 -4.61 116.55 108.28 2w3b n ASP 21 Ca -0.01 -1.40 -0.32 0.00 -1.51 0.00 0.00 54.79 51.55 2w3b n ASP 21 Cb 0.10 0.30 -0.04 0.00 2.34 0.00 0.00 41.12 43.82 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 3.70 0.45 -2.67 1.43 -1.26 -0.58 118.68 119.75 2w3b s LEU 22 Ca 0.07 1.47 0.25 0.00 -1.03 0.00 0.00 54.13 54.89 2w3b s LEU 22 Cb 0.00 -4.39 0.87 0.00 0.03 0.00 0.00 46.19 42.71 2w3b s LEU 22 CO 0.05 -0.52 1.80 -0.65 0.23 0.00 0.00 176.35 177.26 2w3b h PRO 23 N 1.09 0.00 -6.20 1.29 0.11 -1.84 -3.40 132.00 123.05 2w3b h PRO 23 Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 2w3b h PRO 23 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2w3b h PRO 23 CO 0.62 0.19 -0.56 1.67 -0.21 0.00 0.00 178.00 179.71 2w3b s TRP 24 N -3.55 3.03 0.74 0.65 -2.14 -1.26 -4.77 118.94 111.64 2w3b s TRP 24 Ca 0.02 -0.12 -0.13 0.00 2.66 0.00 0.00 56.10 58.53 2w3b s TRP 24 Cb 0.09 -1.38 0.04 0.00 -3.10 0.00 0.00 33.47 29.13 2w3b s TRP 24 CO 0.63 0.54 1.11 -1.25 -2.66 0.00 0.00 176.95 175.32 2w3b s PRO 25 N -3.69 2.35 0.16 3.25 0.04 -1.26 -4.90 135.00 130.95 2w3b s PRO 25 Ca 0.32 1.34 -0.33 0.00 0.04 0.00 0.00 61.00 62.37 2w3b s PRO 25 Cb -0.08 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 2w3b s PRO 25 CO 0.24 -1.59 1.70 -2.30 0.04 0.00 0.00 177.00 175.08 2w3b n PRO 26 N -3.08 2.50 -3.69 0.56 -0.02 -1.26 -4.96 135.00 125.05 2w3b n PRO 26 Ca 0.10 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 62.11 2w3b n PRO 26 Cb 0.52 -2.73 -0.10 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.53 5.42 0.16 2.45 1.43 -1.26 -5.00 118.68 123.42 2w3b s LEU 27 Ca 0.79 -2.14 -0.25 0.00 -1.03 0.00 0.00 54.13 51.50 2w3b s LEU 27 Cb -0.58 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2w3b s LEU 27 CO 0.36 -0.56 1.59 -0.09 0.23 0.00 0.00 176.35 177.88 2w3b h ARG 28 N 8.01 -0.30 0.00 1.70 9.65 -1.98 -1.08 114.38 130.38 2w3b h ARG 28 Ca -0.13 0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 2w3b h ARG 28 Cb 1.04 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2w3b h ARG 28 CO 0.75 -0.20 -0.44 -0.91 2.80 0.00 0.00 179.97 181.97 2w3b h ASN 29 N -0.31 0.00 -0.31 -3.80 2.35 -1.98 -0.55 115.58 110.97 2w3b h ASN 29 Ca 0.15 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2w3b h ASN 29 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2w3b h ASN 29 CO -0.54 0.44 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.52 2w3b h GLU 30 N 0.00 0.61 -0.82 0.81 4.22 -1.81 -0.69 114.58 116.89 2w3b h GLU 30 Ca -0.00 -0.23 0.01 0.00 0.08 0.00 0.00 59.36 59.21 2w3b h GLU 30 Cb 0.88 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2w3b h GLU 30 CO 0.06 0.79 0.54 0.74 -2.18 0.00 0.00 179.01 178.96 2w3b h PHE 31 N 0.38 1.04 -0.67 0.92 0.04 -0.77 -1.37 116.94 116.51 2w3b h PHE 31 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2w3b h PHE 31 Cb 0.57 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2w3b h PHE 31 CO 0.05 0.66 0.36 -0.09 -0.60 0.00 0.00 178.31 178.69 2w3b h ARG 32 N 1.12 0.93 -0.16 1.51 2.43 -0.88 -0.18 114.38 119.15 2w3b h ARG 32 Ca 0.30 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2w3b h ARG 32 Cb -0.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 2w3b h ARG 32 CO -0.06 0.69 0.04 -0.92 -1.51 0.00 0.00 179.97 178.21 2w3b h TYR 33 N 0.94 0.26 -0.48 2.20 3.20 -0.57 0.43 116.97 122.96 2w3b h TYR 33 Ca 0.24 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.16 2w3b h TYR 33 Cb 0.04 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 2w3b h TYR 33 CO 0.01 0.37 0.10 0.35 -1.64 0.00 0.00 178.16 177.35 2w3b h PHE 34 N 0.07 0.17 -0.39 -3.82 3.57 -0.91 -0.06 116.94 115.56 2w3b h PHE 34 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2w3b h PHE 34 Cb 0.24 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2w3b h PHE 34 CO 0.00 0.01 0.19 0.37 -2.23 0.00 0.00 178.31 176.65 2w3b h GLN 35 N 0.24 0.56 -0.32 1.11 4.15 -0.86 -2.11 115.11 117.88 2w3b h GLN 35 Ca 0.24 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 2w3b h GLN 35 Cb 0.30 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2w3b h GLN 35 CO -0.30 0.49 0.13 -0.09 -1.93 0.00 0.00 178.83 177.13 2w3b h ARG 36 N 0.49 0.48 -0.29 1.69 2.43 -0.52 -1.29 114.38 117.37 2w3b h ARG 36 Ca 0.13 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2w3b h ARG 36 Cb 0.12 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2w3b h ARG 36 CO -0.02 0.48 -0.04 0.52 -1.51 0.00 0.00 179.97 179.40 2w3b h MET 37 N 0.38 0.54 0.00 0.20 2.86 -0.97 -1.92 114.93 116.02 2w3b h MET 37 Ca 0.11 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2w3b h MET 37 Cb 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2w3b h MET 37 CO -0.01 0.72 -0.61 1.79 1.06 0.00 0.00 176.91 179.87 2w3b h THR 38 N 0.31 1.23 0.08 2.22 1.35 -1.39 -3.33 112.91 113.38 2w3b h THR 38 Ca 0.08 -2.24 -0.32 0.00 -0.55 0.00 0.00 66.41 63.38 2w3b h THR 38 Cb 0.51 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 69.19 2w3b h THR 38 CO 0.02 0.60 -1.72 0.74 -0.25 0.00 0.00 175.52 174.91 2w3b h THR 39 N 0.00 0.89 -2.66 6.82 2.02 -1.19 -3.43 112.91 115.37 2w3b h THR 39 Ca -0.01 -2.64 -0.55 0.00 0.77 0.00 0.00 66.41 63.99 2w3b h THR 39 Cb 1.24 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 70.20 2w3b h THR 39 CO 0.08 0.73 1.05 -0.89 0.37 0.00 0.00 175.52 176.86 2w3b s THR 40 N -2.59 3.62 -0.10 3.16 2.01 -0.73 -4.63 115.64 116.38 2w3b s THR 40 Ca -0.11 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2w3b s THR 40 Cb 0.07 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 69.13 2w3b s THR 40 CO 0.82 -0.06 0.19 -0.55 -0.69 0.00 0.00 174.62 174.33 2w3b s SER 41 N 3.10 0.50 0.00 3.53 0.15 -1.26 -4.94 113.70 114.77 2w3b s SER 41 Ca 0.71 0.41 0.14 0.00 0.70 0.00 0.00 55.95 57.92 2w3b s SER 41 Cb -0.33 0.39 0.40 0.00 -1.71 0.00 0.00 66.02 64.78 2w3b s SER 41 CO 0.28 -0.23 1.33 -1.54 1.20 0.00 0.00 173.24 174.29 2w3b n SER 42 N 5.16 2.30 -4.51 5.45 3.41 -1.26 -4.82 113.62 119.35 2w3b n SER 42 Ca -0.08 -1.98 -0.43 0.00 -0.26 0.00 0.00 58.87 56.11 2w3b n SER 42 Cb 0.50 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 2w3b n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w3b s VAL 43 N -1.44 4.66 0.27 -3.33 1.01 -1.26 -5.01 120.40 115.30 2w3b s VAL 43 Ca 0.29 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2w3b s VAL 43 Cb 0.15 -4.36 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 2w3b s VAL 43 CO 0.20 -0.83 1.53 1.21 0.00 0.00 0.00 175.10 177.21 2w3b n GLU 44 N 6.72 2.45 -0.10 2.72 2.13 -1.26 -2.33 120.64 130.97 2w3b n GLU 44 Ca -0.01 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2w3b n GLU 44 Cb 0.47 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.57 2w3b n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2w3b n GLY 45 N 2.17 1.09 3.47 8.31 0.00 -1.26 -5.04 105.19 113.93 2w3b n GLY 45 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.59 1.66 0.14 1.61 1.02 -0.98 -4.71 119.74 117.88 2w3b s LYS 46 Ca 0.00 -1.79 0.05 0.00 0.02 0.00 0.00 55.97 54.25 2w3b s LYS 46 Cb 0.00 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 2w3b s LYS 46 CO 0.00 0.23 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.89 2w3b s GLN 47 N -3.58 1.07 0.56 1.68 -0.21 -0.38 -4.85 119.66 113.96 2w3b s GLN 47 Ca 0.30 -1.38 -0.16 0.00 0.02 0.00 0.00 55.36 54.13 2w3b s GLN 47 Cb -0.01 -0.78 -0.05 0.00 1.00 0.00 0.00 33.01 33.17 2w3b s GLN 47 CO 0.14 0.12 1.03 -0.80 -2.12 0.00 0.00 175.29 173.67 2w3b s ASN 48 N -2.92 6.08 -0.15 5.90 0.01 -1.26 -0.74 114.94 121.86 2w3b s ASN 48 Ca 0.14 1.74 -0.04 0.00 -0.71 0.00 0.00 52.86 54.00 2w3b s ASN 48 Cb -0.01 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2w3b s ASN 48 CO 0.02 -0.96 -0.02 -0.22 -1.51 0.00 0.00 177.10 174.41 2w3b s LEU 49 N -4.32 3.36 -0.16 0.60 2.96 -0.14 -1.01 118.68 119.96 2w3b s LEU 49 Ca 0.62 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2w3b s LEU 49 Cb -0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2w3b s LEU 49 CO 0.34 0.21 -0.01 0.68 -1.32 0.00 0.00 176.35 176.26 2w3b s VAL 50 N 0.14 4.18 -0.13 1.68 -7.23 0.01 -0.56 120.40 118.49 2w3b s VAL 50 Ca -0.00 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2w3b s VAL 50 Cb -0.13 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 2w3b s VAL 50 CO 0.02 0.49 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.57 2w3b s ILE 51 N 0.30 3.28 0.04 -0.62 1.01 -0.02 -1.04 121.20 124.16 2w3b s ILE 51 Ca -0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2w3b s ILE 51 Cb -0.13 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.95 2w3b s ILE 51 CO 0.02 0.52 0.23 0.00 0.00 0.00 0.00 174.94 175.71 2w3b s MET 52 N 0.32 0.73 0.93 2.79 0.23 -0.64 -1.46 119.30 122.20 2w3b s MET 52 Ca -0.09 -0.60 -0.12 0.00 -1.03 0.00 0.00 55.69 53.85 2w3b s MET 52 Cb -0.15 0.31 0.15 0.00 -1.53 0.00 0.00 34.83 33.60 2w3b s MET 52 CO 0.05 -0.22 1.11 0.20 -2.03 0.00 0.00 175.02 174.13 2w3b s GLY 53 N -2.10 1.58 0.13 3.16 0.00 0.29 -0.72 107.32 109.66 2w3b s GLY 53 Ca -0.05 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.14 2w3b s GLY 53 CO -0.04 0.16 1.59 1.70 0.00 0.00 0.00 173.10 176.51 2w3b h LYS 54 N -1.59 0.76 -0.47 2.90 3.64 -1.89 -1.83 116.57 118.08 2w3b h LYS 54 Ca -0.51 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 58.54 2w3b h LYS 54 Cb 1.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 2w3b h LYS 54 CO 0.60 0.83 -0.05 0.87 -2.27 0.00 0.00 179.45 179.42 2w3b h LYS 55 N 0.61 0.82 -0.52 1.90 1.57 -1.94 -2.11 116.57 116.90 2w3b h LYS 55 Ca 0.13 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2w3b h LYS 55 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2w3b h LYS 55 CO 0.02 0.85 0.27 1.15 -0.57 0.00 0.00 179.45 181.17 2w3b h THR 56 N 0.75 1.19 -0.17 -0.16 2.02 -1.82 -1.66 112.91 113.05 2w3b h THR 56 Ca 0.14 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.87 2w3b h THR 56 Cb 0.52 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2w3b h THR 56 CO 0.03 0.20 -0.16 -0.25 0.37 0.00 0.00 175.52 175.71 2w3b h TRP 57 N 0.70 -0.41 0.00 3.16 2.91 -1.05 -2.04 115.95 119.22 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 0.08 0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2w3b h TRP 57 CO -0.01 -0.23 0.00 1.19 -1.03 0.00 0.00 178.44 178.36 2w3b n PHE 58 N -5.31 0.45 0.33 2.65 3.72 -0.82 -2.02 117.46 116.46 2w3b n PHE 58 Ca -0.02 0.17 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 2w3b n PHE 58 Cb 0.23 -0.77 0.23 0.00 -0.94 0.00 0.00 39.48 38.23 2w3b n PHE 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2w3b h SER 59 N 0.00 0.00 -3.43 4.37 4.64 -0.57 -3.45 113.55 115.12 2w3b h SER 59 Ca 0.00 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2w3b h SER 59 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2w3b h SER 59 CO 0.00 0.00 0.42 -0.63 -0.87 0.00 0.00 176.83 175.75 2w3b s ILE 60 N -3.18 4.47 0.28 0.95 1.01 -0.86 -4.95 121.20 118.91 2w3b s ILE 60 Ca 0.08 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.31 2w3b s ILE 60 Cb 0.07 -4.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 2w3b s ILE 60 CO 0.66 0.21 1.34 -2.65 0.00 0.00 0.00 174.94 174.50 2w3b n PRO 61 N 3.39 2.02 -0.31 2.79 -0.02 -1.26 -4.85 135.00 136.76 2w3b n PRO 61 Ca 0.05 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 2w3b n PRO 61 Cb 0.49 -2.33 0.31 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.49 0.82 0.00 -0.52 4.81 -1.93 0.81 114.58 122.06 2w3b h GLU 62 Ca -0.45 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2w3b h GLU 62 Cb 1.28 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2w3b h GLU 62 CO 0.70 0.54 -0.00 1.57 -0.73 0.00 0.00 179.01 181.09 2w3b h LYS 63 N 0.85 0.00 -0.73 1.92 2.10 -2.01 -1.99 116.57 116.70 2w3b h LYS 63 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2w3b h LYS 63 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2w3b h LYS 63 CO -0.23 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.31 2w3b n ASN 64 N -3.09 4.07 -4.57 7.07 3.02 0.27 -4.95 115.26 117.08 2w3b n ASN 64 Ca -0.02 -2.05 -0.34 0.00 -0.03 0.00 0.00 54.58 52.14 2w3b n ASN 64 Cb 0.14 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 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 -1.10 3.04 0.75 3.52 0.52 -0.75 -2.97 118.95 121.96 2w3b s ARG 65 Ca 0.50 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 2w3b s ARG 65 Cb 0.27 -2.70 0.05 0.00 0.52 0.00 0.00 34.95 33.08 2w3b s ARG 65 CO 0.33 0.55 1.09 -1.25 0.02 0.00 0.00 175.30 176.04 2w3b s PRO 66 N -0.49 2.36 -0.02 3.54 0.04 -1.26 -4.98 135.00 134.19 2w3b s PRO 66 Ca 0.08 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2w3b s PRO 66 Cb -0.12 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2w3b s PRO 66 CO 0.02 -1.57 2.02 1.28 0.04 0.00 0.00 177.00 178.79 2w3b n LEU 67 N -3.36 3.96 -4.77 -3.56 4.77 -1.16 -4.88 117.00 108.01 2w3b n LEU 67 Ca 0.09 0.78 -0.40 0.00 -0.03 0.00 0.00 56.01 56.46 2w3b n LEU 67 Cb 0.53 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2w3b n LEU 67 CO 0.53 0.03 1.00 -1.59 -1.33 0.00 0.00 177.39 176.02 2w3b s LYS 68 N 4.78 3.87 0.00 3.23 -2.85 -1.26 -3.06 119.74 124.45 2w3b s LYS 68 Ca 0.91 2.24 0.00 0.00 -1.00 0.00 0.00 55.97 58.12 2w3b s LYS 68 Cb -0.44 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 2w3b s LYS 68 CO 0.42 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2w3b n GLY 69 N 0.63 0.66 3.14 0.59 0.00 -1.26 -4.97 105.19 103.98 2w3b n GLY 69 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.04 0.74 -0.16 1.61 0.52 -1.17 -4.47 118.95 115.98 2w3b s ARG 70 Ca 0.00 -0.97 -0.26 0.00 -0.52 0.00 0.00 55.73 53.99 2w3b s ARG 70 Cb 0.00 -0.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.90 2w3b s ARG 70 CO 0.00 0.11 0.84 0.42 0.02 0.00 0.00 175.30 176.69 2w3b s ILE 71 N -1.72 4.88 -0.27 1.52 1.01 -0.18 -4.78 121.20 121.66 2w3b s ILE 71 Ca -0.02 1.66 -0.09 0.00 0.00 0.00 0.00 60.65 62.20 2w3b s ILE 71 Cb -0.07 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 2w3b s ILE 71 CO 0.01 0.03 0.12 0.20 0.00 0.00 0.00 174.94 175.30 2w3b s ASN 72 N 1.14 5.46 -0.11 3.58 0.02 -1.26 -0.81 114.94 122.96 2w3b s ASN 72 Ca 0.39 -0.22 0.03 0.00 -1.02 0.00 0.00 52.86 52.05 2w3b s ASN 72 Cb -0.17 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.11 2w3b s ASN 72 CO 0.13 -0.07 -0.23 -0.22 0.02 0.00 0.00 177.10 176.73 2w3b s LEU 73 N 1.66 2.12 -0.08 0.60 0.20 -0.21 -1.30 118.68 121.66 2w3b s LEU 73 Ca 0.06 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.31 2w3b s LEU 73 Cb -0.16 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2w3b s LEU 73 CO 0.06 0.14 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.54 2w3b s VAL 74 N 0.48 4.06 -0.16 1.68 1.01 -0.49 -1.61 120.40 125.37 2w3b s VAL 74 Ca -0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2w3b s VAL 74 Cb -0.17 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2w3b s VAL 74 CO 0.06 0.60 0.25 -0.76 0.00 0.00 0.00 175.10 175.24 2w3b s LEU 75 N -0.79 4.26 -0.17 3.92 1.43 0.10 -1.70 118.68 125.74 2w3b s LEU 75 Ca 0.12 0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.41 2w3b s LEU 75 Cb -0.11 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.88 2w3b s LEU 75 CO 0.02 0.15 0.68 -0.55 0.23 0.00 0.00 176.35 176.89 2w3b s SER 76 N 0.24 -0.69 0.00 2.29 0.15 -0.80 -3.17 113.70 111.72 2w3b s SER 76 Ca 0.15 1.08 0.24 0.00 0.70 0.00 0.00 55.95 58.12 2w3b s SER 76 Cb -0.13 1.02 0.36 0.00 -1.71 0.00 0.00 66.02 65.56 2w3b s SER 76 CO 0.03 -0.41 1.31 0.54 1.20 0.00 0.00 173.24 175.91 2w3b n ARG 77 N 1.89 0.21 -0.02 5.44 1.74 -1.26 -4.11 116.66 120.55 2w3b n ARG 77 Ca -0.16 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2w3b n ARG 77 Cb 0.56 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.27 1.49 -2.80 5.56 -0.58 -1.26 -4.94 120.64 116.83 2w3b n GLU 78 Ca 0.06 -0.04 -0.34 0.00 -0.42 0.00 0.00 57.16 56.43 2w3b n GLU 78 Cb 0.34 -1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 29.96 2w3b n GLU 78 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2w3b s LEU 79 N -4.02 4.03 0.00 -4.62 1.43 -1.26 -4.98 118.68 109.26 2w3b s LEU 79 Ca -0.03 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2w3b s LEU 79 Cb 0.04 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2w3b s LEU 79 CO 0.31 -0.30 0.00 1.17 0.23 0.00 0.00 176.35 177.76 2w3b n LYS 80 N -0.37 0.00 -4.04 1.70 4.81 -1.26 -4.93 118.16 114.07 2w3b n LYS 80 Ca 0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 2w3b n LYS 80 Cb 0.53 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.53 2w3b n LYS 80 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2w3b s GLU 81 N 0.00 1.62 0.61 1.64 -1.05 -1.26 -5.12 118.70 115.14 2w3b s GLU 81 Ca 0.00 -1.44 -0.19 0.00 -0.15 0.00 0.00 54.97 53.19 2w3b s GLU 81 Cb 0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2w3b s GLU 81 CO 0.00 -0.66 1.27 -2.14 0.95 0.00 0.00 175.26 174.67 2w3b s PRO 82 N -3.72 2.82 0.84 -4.83 0.02 -1.26 -4.96 135.00 123.90 2w3b s PRO 82 Ca 0.27 1.99 -0.12 0.00 0.02 0.00 0.00 61.00 63.16 2w3b s PRO 82 Cb 0.00 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 32.68 2w3b s PRO 82 CO 0.13 -1.37 1.17 -1.25 -0.33 0.00 0.00 177.00 175.35 2w3b s PRO 83 N -3.28 1.51 -0.04 5.54 0.04 -1.26 -4.82 135.00 132.69 2w3b s PRO 83 Ca 0.79 1.62 -0.34 0.00 0.04 0.00 0.00 61.00 63.12 2w3b s PRO 83 Cb -0.35 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2w3b s PRO 83 CO 0.38 -2.28 1.84 0.94 0.04 0.00 0.00 177.00 177.92 2w3b n GLN 84 N -3.62 2.25 0.00 4.56 -0.06 -1.26 -0.97 117.38 118.28 2w3b n GLN 84 Ca 0.12 0.82 0.00 0.00 -2.00 0.00 0.00 57.00 55.95 2w3b n GLN 84 Cb 0.51 -2.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.03 2w3b n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w3b n GLY 85 N 4.27 3.18 3.80 1.69 0.00 -1.26 -4.91 105.19 111.96 2w3b n GLY 85 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.95 2.77 -0.04 4.61 0.00 -0.15 -4.13 121.76 121.87 2w3b s ALA 86 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2w3b s ALA 86 Cb 0.00 -3.25 -0.26 0.00 0.00 0.00 0.00 23.12 19.60 2w3b s ALA 86 CO 0.00 -0.67 0.69 0.45 0.00 0.00 0.00 175.76 176.23 2w3b h HIS 87 N 0.84 0.36 -3.67 0.00 3.86 -1.50 -3.45 115.15 111.59 2w3b h HIS 87 Ca -0.48 -0.26 -0.10 0.00 -1.16 0.00 0.00 60.37 58.37 2w3b h HIS 87 Cb 1.22 -0.01 -0.16 0.00 1.06 0.00 0.00 27.41 29.52 2w3b h HIS 87 CO 0.57 1.40 -0.37 -0.06 0.86 0.00 0.00 177.93 180.33 2w3b s PHE 88 N -2.60 0.09 -0.04 2.45 0.08 -0.94 -4.97 117.98 112.06 2w3b s PHE 88 Ca -0.11 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.54 2w3b s PHE 88 Cb 0.07 -0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.50 2w3b s PHE 88 CO 0.83 -0.49 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.21 2w3b s LEU 89 N -2.46 1.57 0.09 -0.37 2.96 -1.26 -1.39 118.68 117.81 2w3b s LEU 89 Ca -0.00 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2w3b s LEU 89 Cb 0.02 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 2w3b s LEU 89 CO -0.07 0.00 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.42 2w3b s SER 90 N 0.58 1.43 0.00 3.68 0.01 -0.69 -4.97 113.70 113.74 2w3b s SER 90 Ca -0.09 -0.77 0.26 0.00 1.31 0.00 0.00 55.95 56.66 2w3b s SER 90 Cb -0.12 0.00 0.67 0.00 0.21 0.00 0.00 66.02 66.78 2w3b s SER 90 CO 0.01 -0.24 1.53 0.54 0.41 0.00 0.00 173.24 175.49 2w3b n ARG 91 N 0.71 0.06 -3.54 12.44 5.12 -1.26 -1.90 116.66 128.29 2w3b n ARG 91 Ca -0.17 -0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.61 2w3b n ARG 91 Cb 0.57 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.35 2w3b n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2w3b s SER 92 N -2.96 -0.47 0.16 0.55 1.04 -1.26 -4.64 113.70 106.12 2w3b s SER 92 Ca 0.13 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 2w3b s SER 92 Cb 0.18 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.98 2w3b s SER 92 CO 0.65 -1.04 1.80 0.25 0.98 0.00 0.00 173.24 175.88 2w3b h LEU 93 N 2.04 0.40 -0.49 2.42 5.85 -2.00 -1.58 115.31 121.96 2w3b h LEU 93 Ca -0.31 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.51 2w3b h LEU 93 Cb 1.29 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2w3b h LEU 93 CO 0.36 0.29 0.08 0.44 -0.34 0.00 0.00 178.44 179.26 2w3b h ASP 94 N 0.51 -0.04 -0.83 1.25 3.45 -2.00 -1.48 116.42 117.28 2w3b h ASP 94 Ca 0.18 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 2w3b h ASP 94 Cb 0.03 0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 2w3b h ASP 94 CO -0.09 0.01 0.47 0.44 -1.57 0.00 0.00 179.24 178.50 2w3b h ASP 95 N 0.21 1.02 -0.30 6.45 5.19 -1.89 -1.58 116.42 125.51 2w3b h ASP 95 Ca 0.24 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2w3b h ASP 95 Cb 0.33 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2w3b h ASP 95 CO -0.34 0.81 0.19 0.00 -3.12 0.00 0.00 179.24 176.78 2w3b h ALA 96 N 1.25 0.38 -0.54 3.45 0.00 -0.65 -1.23 119.26 121.92 2w3b h ALA 96 Ca 0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2w3b h ALA 96 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2w3b h ALA 96 CO -0.05 -0.18 -0.02 -0.07 0.00 0.00 0.00 179.25 178.94 2w3b h LEU 97 N 0.38 0.91 -0.99 0.00 3.38 -1.02 -2.49 115.31 115.47 2w3b h LEU 97 Ca 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2w3b h LEU 97 Cb -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2w3b h LEU 97 CO -0.04 0.98 0.66 0.11 0.09 0.00 0.00 178.44 180.24 2w3b h LYS 98 N 0.86 1.30 -0.35 1.13 1.79 -1.08 -2.62 116.57 117.59 2w3b h LYS 98 Ca 0.16 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2w3b h LYS 98 Cb 0.53 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2w3b h LYS 98 CO 0.03 0.86 0.23 1.25 -1.08 0.00 0.00 179.45 180.74 2w3b h LEU 99 N 1.33 0.33 -1.82 2.94 5.85 -0.76 -2.47 115.31 120.72 2w3b h LEU 99 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2w3b h LEU 99 Cb -0.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2w3b h LEU 99 CO -0.09 0.23 0.00 0.71 -0.34 0.00 0.00 178.44 178.96 2w3b h THR 100 N 0.39 0.00 -0.01 1.05 1.35 -1.40 -2.69 112.91 111.60 2w3b h THR 100 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2w3b h THR 100 Cb 0.08 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2w3b h THR 100 CO -0.03 0.00 -0.49 -0.62 -0.25 0.00 0.00 175.52 174.13 2w3b n GLU 101 N -2.86 0.92 -1.86 4.72 4.71 -0.93 -3.09 120.64 122.24 2w3b n GLU 101 Ca -0.01 -0.71 -0.30 0.00 -0.01 0.00 0.00 57.16 56.14 2w3b n GLU 101 Cb 0.19 -1.49 0.07 0.00 -1.01 0.00 0.00 31.44 29.21 2w3b n GLU 101 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2w3b s GLN 102 N -2.57 2.36 0.23 3.49 -1.52 -1.02 -4.65 119.66 115.98 2w3b s GLN 102 Ca 0.18 0.31 -0.06 0.00 -1.95 0.00 0.00 55.36 53.84 2w3b s GLN 102 Cb 0.18 -1.98 0.37 0.00 -0.22 0.00 0.00 33.01 31.37 2w3b s GLN 102 CO 0.60 -1.36 1.75 -1.35 -0.25 0.00 0.00 175.29 174.69 2w3b h PRO 103 N -0.88 0.49 -0.85 2.91 0.11 -1.92 0.18 132.00 132.03 2w3b h PRO 103 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2w3b h PRO 103 Cb 1.29 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2w3b h PRO 103 CO 0.65 0.32 0.50 1.49 -0.21 0.00 0.00 178.00 180.75 2w3b h GLU 104 N 0.50 1.16 -0.01 1.05 4.81 -1.93 -3.07 114.58 117.09 2w3b h GLU 104 Ca 0.37 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2w3b h GLU 104 Cb 0.47 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2w3b h GLU 104 CO -0.33 0.83 -0.48 1.28 -0.73 0.00 0.00 179.01 179.58 2w3b n LEU 105 N -4.36 1.31 -0.25 1.64 4.77 -1.00 -4.78 117.00 114.34 2w3b n LEU 105 Ca 0.09 -0.67 0.03 0.00 -0.03 0.00 0.00 56.01 55.43 2w3b n LEU 105 Cb 0.07 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.28 2w3b n LEU 105 CO 0.38 0.27 0.77 0.00 -1.33 0.00 0.00 177.39 177.47 2w3b h ALA 106 N 2.60 0.61 -0.35 -1.18 0.00 -0.56 -0.37 119.26 120.00 2w3b h ALA 106 Ca 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 2w3b h ALA 106 Cb 0.49 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2w3b h ALA 106 CO 0.00 -0.42 -0.04 0.09 0.00 0.00 0.00 179.25 178.88 2w3b n ASN 107 N -5.41 2.78 -0.00 0.00 3.02 -1.26 -4.60 115.26 109.78 2w3b n ASN 107 Ca 0.11 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.04 2w3b n ASN 107 Cb 0.41 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.02 1.03 -4.06 3.52 4.01 -0.16 -4.70 118.16 116.79 2w3b n LYS 108 Ca 0.32 -0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.77 2w3b n LYS 108 Cb 1.03 -1.01 -0.10 0.00 -0.51 0.00 0.00 35.03 34.43 2w3b n LYS 108 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2w3b s VAL 109 N -2.03 4.62 0.00 -0.18 1.01 -1.17 -1.25 120.40 121.40 2w3b s VAL 109 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2w3b s VAL 109 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2w3b s VAL 109 CO 0.02 0.46 0.00 -0.67 0.00 0.00 0.00 175.10 174.91 2w3b n ASP 110 N 3.60 0.00 -4.86 3.32 2.03 0.08 -4.86 116.55 115.85 2w3b n ASP 110 Ca -0.17 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.82 2w3b n ASP 110 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.46 3.90 -0.20 -0.67 -1.94 -1.26 -4.91 119.30 114.67 2w3b s MET 111 Ca 0.00 0.46 -0.05 0.00 -1.71 0.00 0.00 55.69 54.39 2w3b s MET 111 Cb 0.00 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 2w3b s MET 111 CO 0.00 0.24 -0.01 0.08 -0.01 0.00 0.00 175.02 175.32 2w3b s VAL 112 N -1.89 3.89 -0.14 -6.03 1.01 -1.26 -0.97 120.40 115.00 2w3b s VAL 112 Ca 0.51 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2w3b s VAL 112 Cb -0.11 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2w3b s VAL 112 CO 0.19 0.43 -0.16 0.26 0.00 0.00 0.00 175.10 175.82 2w3b s TRP 113 N 0.99 2.75 -0.25 5.22 0.52 0.28 -1.63 118.94 126.82 2w3b s TRP 113 Ca 0.01 -0.94 -0.14 0.00 0.02 0.00 0.00 56.10 55.05 2w3b s TRP 113 Cb -0.14 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2w3b s TRP 113 CO 0.02 -0.39 0.34 0.42 0.02 0.00 0.00 176.95 177.35 2w3b s ILE 114 N 0.60 5.21 -0.31 2.03 -1.09 0.71 -0.84 121.20 127.52 2w3b s ILE 114 Ca -0.09 0.53 0.09 0.00 -2.23 0.00 0.00 60.65 58.94 2w3b s ILE 114 Cb -0.16 -3.67 0.21 0.00 -1.58 0.00 0.00 42.46 37.26 2w3b s ILE 114 CO 0.03 0.21 1.16 1.33 -1.23 0.00 0.00 174.94 176.44 2w3b n VAL 115 N 4.82 1.34 0.00 2.92 0.24 -0.54 -1.70 118.33 125.41 2w3b n VAL 115 Ca -0.10 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.85 2w3b n VAL 115 Cb 0.51 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.39 1.75 0.00 7.63 0.00 -1.26 -4.96 105.19 107.96 2w3b n GLY 116 Ca 0.09 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.27 1.66 0.20 -0.02 0.00 -1.26 -0.55 105.19 104.95 2w3b n GLY 117 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.47 0.59 1.61 4.64 -1.99 -1.42 113.55 116.51 2w3b h SER 118 Ca 0.00 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2w3b h SER 118 Cb 0.00 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2w3b h SER 118 CO 0.00 -0.20 -0.18 0.77 -0.87 0.00 0.00 176.83 176.35 2w3b h SER 119 N -0.20 0.00 0.02 4.97 4.64 -1.96 -0.30 113.55 120.72 2w3b h SER 119 Ca 0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 2w3b h SER 119 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2w3b h SER 119 CO -0.23 0.18 -0.62 0.58 -0.87 0.00 0.00 176.83 175.88 2w3b h VAL 120 N 0.00 1.44 -0.27 0.95 2.07 -1.73 -3.06 116.25 115.65 2w3b h VAL 120 Ca -0.00 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.39 2w3b h VAL 120 Cb 0.52 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2w3b h VAL 120 CO 0.02 0.62 0.17 1.88 0.02 0.00 0.00 177.57 180.28 2w3b h TYR 121 N -0.15 0.32 -0.23 1.57 0.05 -0.86 -1.67 116.97 116.01 2w3b h TYR 121 Ca -0.08 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.75 2w3b h TYR 121 Cb 1.34 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.94 2w3b h TYR 121 CO 0.15 0.20 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.22 2w3b h LYS 122 N 0.35 0.04 -0.09 4.88 3.64 -1.13 0.06 116.57 124.33 2w3b h LYS 122 Ca 0.10 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2w3b h LYS 122 Cb -0.03 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2w3b h LYS 122 CO -0.03 0.03 -0.06 1.49 -2.27 0.00 0.00 179.45 178.60 2w3b h GLU 123 N 0.04 0.20 -0.80 1.90 4.81 -1.54 -3.00 114.58 116.18 2w3b h GLU 123 Ca 0.11 -0.09 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 2w3b h GLU 123 Cb 0.15 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.44 2w3b h GLU 123 CO -0.21 0.59 0.37 0.00 -0.73 0.00 0.00 179.01 179.03 2w3b h ALA 124 N 0.60 1.17 0.00 2.92 0.00 -1.13 -1.88 119.26 120.94 2w3b h ALA 124 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2w3b h ALA 124 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2w3b h ALA 124 CO 0.02 -0.16 0.00 0.52 0.00 0.00 0.00 179.25 179.62 2w3b h MET 125 N 0.52 0.00 -0.04 0.00 2.86 -0.86 -1.07 114.93 116.34 2w3b h MET 125 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 2w3b h MET 125 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2w3b h MET 125 CO -0.39 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 175.87 2w3b n ASN 126 N -2.84 2.59 -4.75 1.22 5.15 -0.74 -4.98 115.26 110.90 2w3b n ASN 126 Ca 0.01 -1.86 -0.41 0.00 -0.60 0.00 0.00 54.58 51.72 2w3b n ASN 126 Cb 0.26 -0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.47 2w3b n ASN 126 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2w3b s HIS 127 N -1.98 3.16 0.54 1.20 2.46 -0.41 -4.94 115.29 115.32 2w3b s HIS 127 Ca 0.31 1.32 -0.22 0.00 0.47 0.00 0.00 55.06 56.94 2w3b s HIS 127 Cb 0.20 -3.64 -0.05 0.00 -0.13 0.00 0.00 32.58 28.96 2w3b s HIS 127 CO 0.31 -1.86 1.36 -2.30 -2.47 0.00 0.00 174.74 169.78 2w3b n PRO 128 N 1.68 1.73 0.00 2.88 -0.02 -1.26 -4.83 135.00 135.18 2w3b n PRO 128 Ca 0.03 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2w3b n PRO 128 Cb 0.42 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2w3b n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3b n GLY 129 N 0.75 -1.09 3.71 -1.23 0.00 -1.26 -4.91 105.19 101.17 2w3b n GLY 129 Ca 0.10 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 3.61 -0.01 1.61 5.65 -1.21 -4.37 115.29 120.58 2w3b s HIS 130 Ca 0.00 1.60 0.00 0.00 0.25 0.00 0.00 55.06 56.91 2w3b s HIS 130 Cb 0.00 -3.20 0.01 0.00 -1.18 0.00 0.00 32.58 28.22 2w3b s HIS 130 CO 0.00 -0.34 0.01 -0.51 -0.65 0.00 0.00 174.74 173.25 2w3b s LEU 131 N 0.87 1.56 -0.06 8.88 2.01 -0.92 -1.94 118.68 129.08 2w3b s LEU 131 Ca 0.53 0.00 0.03 0.00 0.01 0.00 0.00 54.13 54.70 2w3b s LEU 131 Cb -0.24 -0.07 -0.03 0.00 0.01 0.00 0.00 46.19 45.87 2w3b s LEU 131 CO 0.29 -0.06 -0.13 -0.54 1.01 0.00 0.00 176.35 176.92 2w3b s LYS 132 N 0.51 2.62 -0.23 1.70 1.02 -0.71 -1.36 119.74 123.29 2w3b s LYS 132 Ca -0.04 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 2w3b s LYS 132 Cb -0.07 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2w3b s LYS 132 CO -0.01 0.59 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.43 2w3b s LEU 133 N -0.64 2.99 -0.46 3.17 1.43 0.05 -0.55 118.68 124.67 2w3b s LEU 133 Ca 0.09 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 2w3b s LEU 133 Cb -0.11 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2w3b s LEU 133 CO 0.01 -0.08 0.41 -0.36 0.23 0.00 0.00 176.35 176.56 2w3b s PHE 134 N 1.38 3.22 -0.21 0.29 0.40 0.45 -0.63 117.98 122.88 2w3b s PHE 134 Ca 0.03 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2w3b s PHE 134 Cb -0.15 -3.09 0.02 0.00 0.51 0.00 0.00 43.02 40.31 2w3b s PHE 134 CO -0.05 -0.78 -0.15 0.08 0.70 0.00 0.00 175.22 175.03 2w3b s VAL 135 N 1.78 2.39 -0.31 -0.44 1.01 -0.11 -1.31 120.40 123.40 2w3b s VAL 135 Ca 0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 2w3b s VAL 135 Cb -0.22 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2w3b s VAL 135 CO 0.08 0.40 0.61 -0.89 0.00 0.00 0.00 175.10 175.30 2w3b s THR 136 N 1.30 4.95 -0.53 3.92 2.01 -0.09 -0.71 115.64 126.49 2w3b s THR 136 Ca 0.03 0.79 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 2w3b s THR 136 Cb -0.15 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.43 2w3b s THR 136 CO -0.09 -0.14 0.78 -0.13 -0.69 0.00 0.00 174.62 174.34 2w3b s ARG 137 N 2.57 3.22 -0.39 4.92 1.81 0.42 -0.79 118.95 130.71 2w3b s ARG 137 Ca 0.24 -0.59 -0.25 0.00 -1.72 0.00 0.00 55.73 53.41 2w3b s ARG 137 Cb -0.15 -4.08 0.02 0.00 -0.45 0.00 0.00 34.95 30.29 2w3b s ARG 137 CO 0.12 -1.35 0.91 0.42 -0.68 0.00 0.00 175.30 174.72 2w3b s ILE 138 N 3.26 4.57 -0.24 1.52 -1.09 -0.35 -1.20 121.20 127.68 2w3b s ILE 138 Ca 0.22 1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 59.66 2w3b s ILE 138 Cb -0.16 -4.34 -0.06 0.00 -1.58 0.00 0.00 42.46 36.31 2w3b s ILE 138 CO 0.15 -0.60 3.02 0.23 -1.23 0.00 0.00 174.94 176.52 2w3b n MET 139 N 6.83 2.12 -3.70 2.79 2.81 0.05 -2.28 117.12 125.75 2w3b n MET 139 Ca 0.06 -1.63 -0.12 0.00 -1.81 0.00 0.00 57.70 54.21 2w3b n MET 139 Cb 0.48 -1.99 -0.06 0.00 -0.71 0.00 0.00 33.22 30.94 2w3b n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2w3b s GLN 140 N -0.55 0.91 0.22 0.03 -0.21 -1.26 -4.84 119.66 113.95 2w3b s GLN 140 Ca 0.57 -0.52 -0.25 0.00 0.02 0.00 0.00 55.36 55.18 2w3b s GLN 140 Cb 0.33 0.40 -0.09 0.00 1.00 0.00 0.00 33.01 34.65 2w3b s GLN 140 CO -0.11 -0.31 0.83 -0.51 -2.12 0.00 0.00 175.29 173.07 2w3b s ASP 141 N -2.24 7.37 -0.02 5.90 1.01 -1.26 -1.42 116.67 126.02 2w3b s ASP 141 Ca -0.03 1.70 0.01 0.00 0.71 0.00 0.00 52.55 54.94 2w3b s ASP 141 Cb 0.00 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.42 2w3b s ASP 141 CO -0.05 0.12 -0.01 -0.36 0.21 0.00 0.00 175.17 175.08 2w3b s PHE 142 N -1.31 0.26 0.11 4.23 0.08 -1.26 -4.97 117.98 115.12 2w3b s PHE 142 Ca 0.41 -0.02 -0.34 0.00 0.12 0.00 0.00 56.93 57.10 2w3b s PHE 142 Cb -0.22 -0.27 -0.13 0.00 -0.57 0.00 0.00 43.02 41.83 2w3b s PHE 142 CO 0.26 -0.07 1.64 -1.91 -0.10 0.00 0.00 175.22 175.05 2w3b n GLU 143 N 3.58 2.16 -3.98 0.44 4.07 -1.26 -4.82 120.64 120.83 2w3b n GLU 143 Ca -0.20 0.78 -0.09 0.00 -0.06 0.00 0.00 57.16 57.60 2w3b n GLU 143 Cb 0.55 -2.57 -0.10 0.00 -0.06 0.00 0.00 31.44 29.26 2w3b n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2w3b s SER 144 N 1.57 0.27 0.00 4.31 0.01 -1.26 -4.74 113.70 113.85 2w3b s SER 144 Ca 0.82 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2w3b s SER 144 Cb -0.68 0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2w3b s SER 144 CO 0.41 -0.45 0.64 -0.90 0.41 0.00 0.00 173.24 173.35 2w3b n ASP 145 N 0.93 1.23 -3.82 2.44 5.68 -0.06 -4.98 116.55 117.97 2w3b n ASP 145 Ca -0.20 -1.36 -0.13 0.00 -0.50 0.00 0.00 54.79 52.60 2w3b n ASP 145 Cb 0.58 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.36 -0.03 0.11 2.12 2.01 -1.06 -4.99 115.64 113.44 2w3b s THR 146 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2w3b s THR 146 Cb 0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 2w3b s THR 146 CO 0.00 0.04 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.50 2w3b s PHE 147 N 0.51 1.15 -0.12 4.92 0.40 -1.26 -0.41 117.98 123.16 2w3b s PHE 147 Ca -0.04 -0.64 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 2w3b s PHE 147 Cb -0.06 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 2w3b s PHE 147 CO -0.02 0.04 -0.06 0.12 0.70 0.00 0.00 175.22 176.00 2w3b s PHE 148 N -2.43 2.96 0.73 0.36 5.36 0.26 -4.73 117.98 120.49 2w3b s PHE 148 Ca 0.07 -0.25 -0.14 0.00 -0.96 0.00 0.00 56.93 55.65 2w3b s PHE 148 Cb -0.03 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.83 2w3b s PHE 148 CO 0.01 0.05 1.15 -2.14 -1.46 0.00 0.00 175.22 172.83 2w3b s PRO 149 N -0.01 2.28 0.29 10.12 0.02 -1.26 -4.81 135.00 141.63 2w3b s PRO 149 Ca -0.00 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 2w3b s PRO 149 Cb -0.13 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 2w3b s PRO 149 CO 0.03 -1.68 1.40 -0.85 -0.33 0.00 0.00 177.00 175.56 2w3b n GLU 150 N -2.85 2.21 -2.75 5.54 0.00 -1.26 -4.95 120.64 116.58 2w3b n GLU 150 Ca 0.12 0.78 -0.42 0.00 0.00 0.00 0.00 57.16 57.64 2w3b n GLU 150 Cb 0.51 -2.43 -0.03 0.00 0.00 0.00 0.00 31.44 29.49 2w3b n GLU 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2w3b s ILE 151 N -0.50 4.85 -0.45 3.84 1.01 -1.26 -5.00 121.20 123.68 2w3b s ILE 151 Ca 0.62 2.00 -0.29 0.00 0.00 0.00 0.00 60.65 62.98 2w3b s ILE 151 Cb -0.58 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 37.62 2w3b s ILE 151 CO 0.55 0.19 1.12 -0.62 0.00 0.00 0.00 174.94 176.17 2w3b s ASP 152 N 0.87 6.67 0.00 3.58 2.15 -1.26 -4.91 116.67 123.77 2w3b s ASP 152 Ca 0.50 0.54 0.21 0.00 0.43 0.00 0.00 52.55 54.23 2w3b s ASP 152 Cb -0.21 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 40.96 2w3b s ASP 152 CO 0.27 -1.19 1.67 0.18 -0.17 0.00 0.00 175.17 175.94 2w3b n LEU 153 N 7.66 0.00 -0.09 -1.34 4.77 -1.26 -1.70 117.00 125.04 2w3b n LEU 153 Ca 0.12 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 2w3b n LEU 153 Cb 0.49 -0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 2w3b n LEU 153 CO 0.69 -0.08 0.84 -0.08 -1.33 0.00 0.00 177.39 177.44 2w3b h GLU 154 N 0.00 0.74 0.00 3.23 4.57 -2.03 -3.35 114.58 117.74 2w3b h GLU 154 Ca 0.00 -0.22 -0.34 0.00 -1.18 0.00 0.00 59.36 57.63 2w3b h GLU 154 Cb 0.17 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 2w3b h GLU 154 CO 0.00 0.79 -2.27 1.63 -1.18 0.00 0.00 179.01 177.97 2w3b n LYS 155 N -4.20 0.81 -4.39 1.92 5.02 -0.78 -4.99 118.16 111.55 2w3b n LYS 155 Ca 0.02 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 2w3b n LYS 155 Cb 0.32 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.45 2.80 -0.10 2.13 2.02 -0.69 -4.38 117.35 116.68 2w3b s TYR 156 Ca -0.20 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2w3b s TYR 156 Cb 0.07 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 2w3b s TYR 156 CO 0.63 0.38 -0.14 0.15 -1.57 0.00 0.00 175.55 175.00 2w3b s LYS 157 N -1.75 3.10 -0.16 -0.62 3.01 -0.16 -4.29 119.74 118.87 2w3b s LYS 157 Ca 0.19 -0.70 -0.29 0.00 -1.01 0.00 0.00 55.97 54.16 2w3b s LYS 157 Cb -0.11 -2.54 -0.01 0.00 -1.01 0.00 0.00 37.83 34.16 2w3b s LYS 157 CO 0.10 0.34 1.23 -1.17 0.51 0.00 0.00 175.35 176.36 2w3b s LEU 158 N 0.01 4.18 0.10 3.17 2.96 -1.26 -1.09 118.68 126.75 2w3b s LEU 158 Ca -0.04 1.67 -0.28 0.00 -0.22 0.00 0.00 54.13 55.25 2w3b s LEU 158 Cb -0.14 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 2w3b s LEU 158 CO 0.04 -0.73 0.89 -0.76 -1.32 0.00 0.00 176.35 174.47 2w3b s LEU 159 N 3.35 4.49 0.46 -0.68 1.43 0.39 -4.94 118.68 123.19 2w3b s LEU 159 Ca 0.54 1.68 0.22 0.00 -1.03 0.00 0.00 54.13 55.54 2w3b s LEU 159 Cb -0.21 -3.46 1.13 0.00 0.03 0.00 0.00 46.19 43.68 2w3b s LEU 159 CO 0.14 -0.02 1.95 1.55 0.23 0.00 0.00 176.35 180.20 2w3b h PRO 160 N 5.52 0.00 -2.93 1.29 0.13 -1.95 -3.42 132.00 130.63 2w3b h PRO 160 Ca -0.43 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 2w3b h PRO 160 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2w3b h PRO 160 CO 0.71 0.21 0.27 -1.83 -0.23 0.00 0.00 178.00 177.14 2w3b s GLU 161 N -4.09 1.85 -0.17 0.86 4.04 -1.26 -5.04 118.70 114.89 2w3b s GLU 161 Ca -0.02 -1.09 -0.14 0.00 0.04 0.00 0.00 54.97 53.77 2w3b s GLU 161 Cb 0.13 0.59 0.05 0.00 0.02 0.00 0.00 34.13 34.92 2w3b s GLU 161 CO 0.64 -0.86 0.44 -0.47 -1.84 0.00 0.00 175.26 173.17 2w3b s TYR 162 N -3.35 -0.53 0.24 4.83 5.04 -1.26 -5.03 117.35 117.28 2w3b s TYR 162 Ca 0.13 1.23 -0.31 0.00 -2.44 0.00 0.00 57.07 55.67 2w3b s TYR 162 Cb -0.05 0.20 -0.12 0.00 0.35 0.00 0.00 41.96 42.34 2w3b s TYR 162 CO 0.08 -0.27 1.65 -2.30 -1.34 0.00 0.00 175.55 173.37 2w3b n PRO 163 N 3.27 2.68 -0.68 4.97 -0.02 -1.26 -1.88 135.00 142.08 2w3b n PRO 163 Ca -0.16 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2w3b n PRO 163 Cb 0.57 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2w3b n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3b n GLY 164 N 3.10 0.92 3.36 -1.23 0.00 -1.26 -5.02 105.19 105.05 2w3b n GLY 164 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 3.18 0.38 1.61 1.01 -0.79 -5.10 120.40 117.30 2w3b s VAL 165 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2w3b s VAL 165 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2w3b s VAL 165 CO 0.00 0.50 1.27 -0.76 0.00 0.00 0.00 175.10 176.11 2w3b s LEU 166 N 0.61 4.29 -0.05 3.92 1.43 -1.26 -4.57 118.68 123.05 2w3b s LEU 166 Ca -0.06 2.59 0.19 0.00 -1.03 0.00 0.00 54.13 55.81 2w3b s LEU 166 Cb -0.15 -3.84 -0.23 0.00 0.03 0.00 0.00 46.19 42.00 2w3b s LEU 166 CO 0.03 -0.69 0.48 -1.20 0.23 0.00 0.00 176.35 175.19 2w3b n SER 167 N 0.36 0.33 -4.89 2.29 7.64 -1.26 -4.47 113.62 113.62 2w3b n SER 167 Ca 0.02 0.15 -0.29 0.00 1.01 0.00 0.00 58.87 59.76 2w3b n SER 167 Cb 0.44 0.95 0.01 0.00 -1.01 0.00 0.00 64.21 64.60 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 -5.33 6.10 0.29 6.43 1.01 -1.26 -4.87 116.67 119.04 2w3b s ASP 168 Ca -0.07 1.15 -0.30 0.00 0.71 0.00 0.00 52.55 54.04 2w3b s ASP 168 Cb 0.09 -2.26 -0.12 0.00 1.01 0.00 0.00 42.92 41.64 2w3b s ASP 168 CO 0.84 -0.84 1.63 0.52 0.21 0.00 0.00 175.17 177.53 2w3b n VAL 169 N -2.59 0.89 -3.99 -1.27 0.31 -1.26 -4.72 118.33 105.69 2w3b n VAL 169 Ca 0.04 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.92 2w3b n VAL 169 Cb 0.55 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.29 3.32 -0.09 5.55 -1.52 0.81 -4.95 119.66 122.48 2w3b s GLN 170 Ca 0.65 -0.77 -0.04 0.00 -1.95 0.00 0.00 55.36 53.25 2w3b s GLN 170 Cb -0.49 -2.84 0.04 0.00 -0.22 0.00 0.00 33.01 29.51 2w3b s GLN 170 CO 0.46 0.45 0.21 -2.00 -0.25 0.00 0.00 175.29 174.17 2w3b s GLU 171 N -3.69 0.16 -0.01 2.91 2.12 -1.26 -1.13 118.70 117.80 2w3b s GLU 171 Ca 0.34 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.15 2w3b s GLU 171 Cb -0.09 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.17 2w3b s GLU 171 CO 0.28 -0.17 0.01 -1.21 -0.54 0.00 0.00 175.26 173.63 2w3b s GLU 172 N 1.30 0.03 -1.43 4.30 2.02 -0.65 -4.87 118.70 119.40 2w3b s GLU 172 Ca -0.09 0.07 -0.08 0.00 0.02 0.00 0.00 54.97 54.89 2w3b s GLU 172 Cb -0.11 -0.15 0.05 0.00 0.10 0.00 0.00 34.13 34.02 2w3b s GLU 172 CO -0.08 -0.07 0.63 1.63 0.02 0.00 0.00 175.26 177.39 2w3b n LYS 173 N 3.58 -4.46 -0.96 1.61 5.02 -1.26 -0.89 118.16 120.79 2w3b n LYS 173 Ca -0.19 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2w3b n LYS 173 Cb 0.55 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 2w3b n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3b n GLY 174 N -1.41 0.33 3.45 0.72 0.00 -1.26 -5.00 105.19 102.02 2w3b n GLY 174 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.76 4.03 0.11 -0.61 1.01 -0.07 -5.09 121.20 118.81 2w3b s ILE 175 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 2w3b s ILE 175 Cb 0.00 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 2w3b s ILE 175 CO 0.00 0.42 0.56 -0.54 0.00 0.00 0.00 174.94 175.38 2w3b s LYS 176 N 1.06 4.09 0.16 2.79 1.02 -1.26 -1.64 119.74 125.95 2w3b s LYS 176 Ca 0.02 0.62 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 2w3b s LYS 176 Cb -0.14 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2w3b s LYS 176 CO 0.02 0.56 0.46 1.52 -0.92 0.00 0.00 175.35 176.98 2w3b s TYR 177 N -1.29 -0.16 0.02 3.18 -0.85 -0.28 -0.77 117.35 117.20 2w3b s TYR 177 Ca 0.33 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.73 2w3b s TYR 177 Cb -0.17 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 2w3b s TYR 177 CO 0.19 -0.80 -0.03 -1.59 -1.52 0.00 0.00 175.55 171.81 2w3b s LYS 178 N -3.84 0.26 -0.19 -3.49 -2.85 -0.34 -0.13 119.74 109.16 2w3b s LYS 178 Ca 0.06 -0.50 -0.15 0.00 -1.00 0.00 0.00 55.97 54.38 2w3b s LYS 178 Cb 0.01 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 2w3b s LYS 178 CO -0.08 -0.04 0.35 -0.06 0.10 0.00 0.00 175.35 175.62 2w3b s PHE 179 N -1.20 3.40 0.14 1.78 0.08 -1.26 -0.44 117.98 120.49 2w3b s PHE 179 Ca -0.13 0.58 0.10 0.00 0.12 0.00 0.00 56.93 57.60 2w3b s PHE 179 Cb -0.08 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2w3b s PHE 179 CO -0.01 0.07 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.75 2w3b s GLU 180 N 1.02 1.58 -0.09 0.44 2.02 0.11 -4.85 118.70 118.93 2w3b s GLU 180 Ca 0.17 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.83 2w3b s GLU 180 Cb -0.14 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.14 2w3b s GLU 180 CO 0.07 0.45 -0.09 0.08 0.02 0.00 0.00 175.26 175.78 2w3b s VAL 181 N -1.27 1.01 0.18 2.63 1.01 -1.26 -0.94 120.40 121.76 2w3b s VAL 181 Ca 0.17 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2w3b s VAL 181 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2w3b s VAL 181 CO 0.09 0.35 -0.03 -0.31 0.00 0.00 0.00 175.10 175.19 2w3b s TYR 182 N 1.25 2.76 -0.06 5.22 1.51 0.20 -0.46 117.35 127.77 2w3b s TYR 182 Ca -0.04 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2w3b s TYR 182 Cb -0.14 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 2w3b s TYR 182 CO -0.03 0.52 0.18 -2.00 -1.11 0.00 0.00 175.55 173.11 2w3b s GLU 183 N -2.93 0.27 0.21 -0.62 2.12 -0.25 -0.77 118.70 116.72 2w3b s GLU 183 Ca 0.27 0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.80 2w3b s GLU 183 Cb -0.09 0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 2w3b s GLU 183 CO 0.17 -0.04 -0.14 -1.59 -0.54 0.00 0.00 175.26 173.12 2w3b s LYS 184 N -0.19 1.33 0.00 4.30 -2.85 -0.46 -0.99 119.74 120.87 2w3b s LYS 184 Ca -0.03 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.35 2w3b s LYS 184 Cb -0.02 -1.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.64 2w3b s LYS 184 CO 0.01 0.18 0.51 0.09 0.10 0.00 0.00 175.35 176.23