#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bxx s THR 7 N 0.00 2.71 -0.09 3.84 2.01 -1.26 -2.18 115.64 120.68 3bxx s THR 7 Ca 0.00 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3bxx s THR 7 Cb 0.00 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.41 3bxx s THR 7 CO 0.00 0.53 -0.09 0.68 -0.69 0.00 0.00 174.62 175.05 3bxx s VAL 8 N 0.48 1.00 0.26 3.82 -7.23 -0.40 0.37 120.40 118.70 3bxx s VAL 8 Ca -0.11 -0.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 3bxx s VAL 8 Cb -0.16 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 3bxx s VAL 8 CO 0.05 0.34 1.14 0.00 -0.31 0.00 0.00 175.10 176.32 3bxx s VAL 10 N -0.94 1.43 0.13 0.00 1.01 -0.85 0.01 120.40 121.19 3bxx s VAL 10 Ca 0.46 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 3bxx s VAL 10 Cb -0.33 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 3bxx s VAL 10 CO 0.41 -0.31 0.99 0.42 0.00 0.00 0.00 175.10 176.61 3bxx s THR 11 N 1.40 4.35 -0.29 3.92 -4.23 0.19 -2.76 115.64 118.22 3bxx s THR 11 Ca 0.01 1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 62.48 3bxx s THR 11 Cb -0.18 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.39 3bxx s THR 11 CO -0.11 0.32 0.25 0.61 -0.54 0.00 0.00 174.62 175.15 3bxx n GLY 12 N 2.19 0.51 0.13 3.99 0.00 -1.04 -2.93 105.19 108.05 3bxx n GLY 12 Ca 0.02 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3bxx n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx n ALA 13 N -2.61 1.59 0.05 4.61 0.00 -0.75 -2.18 120.51 121.23 3bxx n ALA 13 Ca -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 3bxx n ALA 13 Cb 0.52 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.76 3bxx n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bxx h SER 14 N 0.00 0.40 -2.34 0.00 4.64 -1.77 -2.19 113.55 112.29 3bxx h SER 14 Ca 0.00 -0.18 -0.26 0.00 -0.47 0.00 0.00 61.79 60.88 3bxx h SER 14 Cb 0.32 -0.11 0.15 0.00 -0.31 0.00 0.00 62.40 62.45 3bxx h SER 14 CO 0.00 0.78 -0.13 0.61 -0.87 0.00 0.00 176.83 177.23 3bxx n GLY 15 N -0.06 -3.35 0.14 -0.77 0.00 -0.93 -4.49 105.19 95.74 3bxx n GLY 15 Ca -0.02 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3bxx n GLY 15 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bxx h PHE 16 N -3.15 0.53 0.11 1.61 3.57 -1.90 -1.11 116.94 116.60 3bxx h PHE 16 Ca -0.28 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 3bxx h PHE 16 Cb 0.94 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3bxx h PHE 16 CO 0.00 0.95 -0.05 0.82 -2.23 0.00 0.00 178.31 177.80 3bxx h ILE 17 N -0.04 0.47 -0.95 1.41 2.04 -1.93 -3.36 117.51 115.15 3bxx h ILE 17 Ca -0.01 -1.17 0.25 0.00 1.00 0.00 0.00 64.86 64.92 3bxx h ILE 17 Cb 0.97 0.85 -0.18 0.00 -0.74 0.00 0.00 36.82 37.73 3bxx h ILE 17 CO 0.07 0.15 -0.00 1.23 0.00 0.00 0.00 178.15 179.59 3bxx h GLY 18 N -1.00 1.13 0.65 5.37 0.00 -1.75 0.88 103.07 108.34 3bxx h GLY 18 Ca -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3bxx h GLY 18 CO 0.03 -0.46 -0.31 1.48 0.00 0.00 0.00 176.54 177.27 3bxx h SER 19 N 0.03 -0.74 -0.76 0.19 4.64 -0.52 -1.24 113.55 115.16 3bxx h SER 19 Ca 0.56 0.03 0.15 0.00 -0.47 0.00 0.00 61.79 62.05 3bxx h SER 19 Cb 1.09 0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 3bxx h SER 19 CO -0.89 -0.43 0.28 -0.25 -0.87 0.00 0.00 176.83 174.67 3bxx h TRP 20 N -1.05 0.48 -0.95 4.77 2.91 -1.63 0.54 115.95 121.00 3bxx h TRP 20 Ca -0.09 0.04 0.13 0.00 1.13 0.00 0.00 58.89 60.09 3bxx h TRP 20 Cb 0.67 -0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 29.14 3bxx h TRP 20 CO 0.03 0.03 0.61 1.25 -1.03 0.00 0.00 178.44 179.33 3bxx h LEU 21 N 0.41 0.82 -0.03 0.65 5.85 -0.80 -0.61 115.31 121.60 3bxx h LEU 21 Ca 0.42 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.95 3bxx h LEU 21 Cb 0.66 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.58 3bxx h LEU 21 CO -0.43 0.44 -0.88 0.58 -0.34 0.00 0.00 178.44 177.81 3bxx h VAL 22 N 0.88 1.31 -0.66 1.05 2.07 0.11 -0.98 116.25 120.04 3bxx h VAL 22 Ca 0.47 -2.14 0.08 0.00 0.82 0.00 0.00 66.70 65.93 3bxx h VAL 22 Cb 0.56 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 3bxx h VAL 22 CO -0.24 0.66 0.33 -0.03 0.02 0.00 0.00 177.57 178.31 3bxx h MET 23 N 0.30 0.57 -0.05 1.57 1.85 0.05 -1.96 114.93 117.26 3bxx h MET 23 Ca -0.10 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 58.88 3bxx h MET 23 Cb 1.54 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.45 3bxx h MET 23 CO 0.17 0.38 -0.27 0.00 -0.40 0.00 0.00 176.91 176.79 3bxx h ARG 24 N 0.59 0.27 -0.24 0.39 2.47 -0.90 -2.13 114.38 114.84 3bxx h ARG 24 Ca 0.31 -0.23 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 3bxx h ARG 24 Cb 0.28 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3bxx h ARG 24 CO -0.23 0.88 0.25 -0.07 0.56 0.00 0.00 179.97 181.36 3bxx h LEU 25 N -0.27 0.00 0.02 3.04 3.38 -1.20 -2.49 115.31 117.79 3bxx h LEU 25 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bxx h LEU 25 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3bxx h LEU 25 CO 0.06 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.51 3bxx h LEU 26 N 0.00 -0.02 -1.95 1.67 3.38 -1.21 -1.45 115.31 115.73 3bxx h LEU 26 Ca 0.11 -0.75 0.01 0.00 0.09 0.00 0.00 57.88 57.34 3bxx h LEU 26 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3bxx h LEU 26 CO -0.00 0.81 0.36 -0.33 0.09 0.00 0.00 178.44 179.37 3bxx h GLU 27 N -0.92 0.00 -0.53 1.13 5.08 -0.94 0.25 114.58 118.66 3bxx h GLU 27 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3bxx h GLU 27 Cb 0.77 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 3bxx h GLU 27 CO 0.00 0.00 0.13 -2.13 -1.00 0.00 0.00 179.01 176.01 3bxx n ARG 28 N -2.93 3.18 -2.18 2.33 0.63 -1.09 -4.96 116.66 111.64 3bxx n ARG 28 Ca -0.01 -3.04 -0.15 0.00 -0.92 0.00 0.00 57.85 53.73 3bxx n ARG 28 Cb 0.41 -2.04 -0.01 0.00 0.45 0.00 0.00 32.46 31.26 3bxx n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bxx n GLY 29 N -0.43 -0.04 3.97 5.14 0.00 0.90 -5.04 105.19 109.69 3bxx n GLY 29 Ca 0.34 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3bxx n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bxx s TYR 30 N -2.71 2.59 -0.26 1.61 1.51 -0.54 -4.60 117.35 114.95 3bxx s TYR 30 Ca 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 3bxx s TYR 30 Cb 0.00 -2.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 3bxx s TYR 30 CO 0.00 -1.12 -0.07 0.99 -1.11 0.00 0.00 175.55 174.25 3bxx s THR 31 N -2.90 2.73 -0.08 -0.71 2.01 -0.92 -4.66 115.64 111.11 3bxx s THR 31 Ca 0.60 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 3bxx s THR 31 Cb -0.09 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3bxx s THR 31 CO 0.40 0.12 0.20 -0.69 -0.69 0.00 0.00 174.62 173.97 3bxx s VAL 32 N 1.27 5.40 -0.40 3.82 1.01 -1.16 -1.28 120.40 129.07 3bxx s VAL 32 Ca -0.02 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3bxx s VAL 32 Cb -0.18 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.81 3bxx s VAL 32 CO -0.04 0.58 0.21 -0.13 0.00 0.00 0.00 175.10 175.71 3bxx s ARG 33 N -1.15 2.48 -0.06 2.72 0.52 -1.00 -2.13 118.95 120.33 3bxx s ARG 33 Ca 0.18 -1.48 -0.25 0.00 -0.52 0.00 0.00 55.73 53.66 3bxx s ARG 33 Cb -0.13 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3bxx s ARG 33 CO 0.07 -0.92 0.76 0.00 0.02 0.00 0.00 175.30 175.24 3bxx s ALA 34 N 1.36 3.31 0.04 2.13 0.00 -0.35 -2.00 121.76 126.25 3bxx s ALA 34 Ca 0.03 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 3bxx s ALA 34 Cb -0.22 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3bxx s ALA 34 CO 0.01 -0.17 0.27 0.95 0.00 0.00 0.00 175.76 176.82 3bxx s THR 35 N 0.93 5.30 0.11 0.00 -4.23 -1.11 -0.53 115.64 116.11 3bxx s THR 35 Ca 0.40 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 3bxx s THR 35 Cb -0.18 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 3bxx s THR 35 CO 0.20 0.26 0.21 0.68 -0.54 0.00 0.00 174.62 175.43 3bxx s VAL 36 N -1.41 0.12 0.13 2.29 -7.23 -0.25 -1.80 120.40 112.25 3bxx s VAL 36 Ca 0.31 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 3bxx s VAL 36 Cb -0.13 -1.46 -0.20 0.00 0.56 0.00 0.00 36.38 35.15 3bxx s VAL 36 CO 0.20 -0.56 1.29 0.03 -0.31 0.00 0.00 175.10 175.74 3bxx h ARG 37 N 2.70 0.06 -2.52 4.82 3.08 -1.85 -2.44 114.38 118.22 3bxx h ARG 37 Ca -0.33 -0.10 -0.40 0.00 0.07 0.00 0.00 59.98 59.22 3bxx h ARG 37 Cb 1.21 0.03 -0.37 0.00 0.08 0.00 0.00 29.97 30.92 3bxx h ARG 37 CO 0.54 1.01 -0.69 0.34 -1.07 0.00 0.00 179.97 180.10 3bxx s ASP 38 N -6.81 2.23 0.30 7.04 2.15 -1.26 -4.75 116.67 115.57 3bxx s ASP 38 Ca -0.00 -0.77 0.26 0.00 0.43 0.00 0.00 52.55 52.47 3bxx s ASP 38 Cb 0.10 0.15 0.95 0.00 -0.30 0.00 0.00 42.92 43.82 3bxx s ASP 38 CO 0.83 -0.39 1.76 1.55 -0.17 0.00 0.00 175.17 178.76 3bxx h PRO 39 N 8.33 0.00 0.00 4.34 0.13 -1.92 -3.15 132.00 139.73 3bxx h PRO 39 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3bxx h PRO 39 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3bxx h PRO 39 CO 0.35 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.37 3bxx n THR 40 N -2.42 0.01 -3.33 1.56 -2.24 -1.26 -4.75 114.28 101.85 3bxx n THR 40 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 3bxx n THR 40 Cb 0.31 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 3bxx n THR 40 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bxx s ASN 41 N -2.11 6.19 0.30 3.42 3.84 -1.19 -4.95 114.94 120.43 3bxx s ASN 41 Ca 0.43 -0.71 0.09 0.00 0.21 0.00 0.00 52.86 52.88 3bxx s ASN 41 Cb 0.21 -2.22 0.45 0.00 -0.55 0.00 0.00 41.25 39.14 3bxx s ASN 41 CO 0.38 -0.58 1.68 0.58 -2.79 0.00 0.00 177.10 176.36 3bxx h VAL 42 N 5.73 1.36 -0.04 -5.21 2.07 -1.91 -0.77 116.25 117.48 3bxx h VAL 42 Ca -0.26 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 3bxx h VAL 42 Cb 1.11 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3bxx h VAL 42 CO 0.80 0.51 -0.07 0.11 0.02 0.00 0.00 177.57 178.94 3bxx h LYS 43 N 0.07 0.05 0.00 1.57 1.79 -1.99 -1.94 116.57 116.12 3bxx h LYS 43 Ca -0.00 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 3bxx h LYS 43 Cb 0.93 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3bxx h LYS 43 CO 0.07 0.13 -1.37 1.63 -1.08 0.00 0.00 179.45 178.82 3bxx n LYS 44 N -4.43 0.62 -0.01 3.15 4.76 -0.39 -4.57 118.16 117.30 3bxx n LYS 44 Ca -0.02 0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3bxx n LYS 44 Cb 0.17 -1.74 -0.02 0.00 -1.84 0.00 0.00 35.03 31.60 3bxx n LYS 44 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3bxx n VAL 45 N -2.64 0.08 -0.05 -0.18 0.24 -0.61 -4.44 118.33 110.73 3bxx n VAL 45 Ca -0.05 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 3bxx n VAL 45 Cb 0.65 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.62 3bxx n VAL 45 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3bxx h LYS 46 N 0.00 -0.44 -0.87 7.34 3.64 -1.59 -1.65 116.57 123.00 3bxx h LYS 46 Ca -0.03 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 3bxx h LYS 46 Cb 0.66 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 32.43 3bxx h LYS 46 CO 0.00 -0.29 -0.03 1.12 -2.27 0.00 0.00 179.45 177.98 3bxx h HIS 47 N -0.46 -0.13 0.58 1.91 2.07 -1.87 0.24 115.15 117.49 3bxx h HIS 47 Ca 0.04 0.07 -0.02 0.00 -2.85 0.00 0.00 60.37 57.61 3bxx h HIS 47 Cb 0.58 0.20 -0.01 0.00 2.57 0.00 0.00 27.41 30.75 3bxx h HIS 47 CO -0.63 -0.33 -0.40 -0.07 -3.07 0.00 0.00 177.93 173.43 3bxx h LEU 48 N 0.05 -1.03 -1.06 6.12 3.38 -1.62 -2.18 115.31 118.97 3bxx h LEU 48 Ca 0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3bxx h LEU 48 Cb 0.89 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3bxx h LEU 48 CO -0.81 -0.59 0.15 0.18 0.09 0.00 0.00 178.44 177.47 3bxx n LEU 49 N -4.88 0.41 -0.13 1.67 4.77 -0.21 0.18 117.00 118.81 3bxx n LEU 49 Ca -0.11 0.64 0.14 0.00 -0.03 0.00 0.00 56.01 56.64 3bxx n LEU 49 Cb 0.39 -0.64 0.50 0.00 -2.33 0.00 0.00 43.42 41.35 3bxx n LEU 49 CO 0.26 -0.78 0.77 0.47 -1.33 0.00 0.00 177.39 176.78 3bxx n ASP 50 N -2.09 0.59 -4.71 -1.43 8.00 0.66 -4.79 116.55 112.77 3bxx n ASP 50 Ca -0.01 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 3bxx n ASP 50 Cb 0.18 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3bxx n ASP 50 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bxx s LEU 51 N -2.58 4.37 0.55 0.64 1.43 0.13 -4.95 118.68 118.26 3bxx s LEU 51 Ca 0.24 2.60 -0.21 0.00 -1.03 0.00 0.00 54.13 55.73 3bxx s LEU 51 Cb 0.19 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3bxx s LEU 51 CO 0.52 -0.83 1.30 -2.16 0.23 0.00 0.00 176.35 175.41 3bxx s PRO 52 N 1.34 3.16 0.00 1.29 0.04 -1.26 -1.46 135.00 138.11 3bxx s PRO 52 Ca 0.71 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.84 3bxx s PRO 52 Cb -0.43 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3bxx s PRO 52 CO 0.31 -1.13 0.00 1.63 0.04 0.00 0.00 177.00 177.85 3bxx n LYS 53 N -1.10 -0.12 -0.12 4.56 5.02 -1.26 -4.87 118.16 120.27 3bxx n LYS 53 Ca 0.11 0.03 -0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3bxx n LYS 53 Cb 0.46 -2.98 0.26 0.00 -0.02 0.00 0.00 35.03 32.75 3bxx n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bxx h ALA 54 N 0.00 1.40 -0.06 7.82 0.00 -1.56 -1.58 119.26 125.29 3bxx h ALA 54 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3bxx h ALA 54 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3bxx h ALA 54 CO 0.00 0.47 0.00 0.93 0.00 0.00 0.00 179.25 180.65 3bxx h GLU 55 N 0.80 0.10 -0.04 0.00 5.08 -1.84 -2.83 114.58 115.85 3bxx h GLU 55 Ca 0.20 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3bxx h GLU 55 Cb 0.09 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.34 3bxx h GLU 55 CO -0.03 0.36 -0.46 1.15 -1.00 0.00 0.00 179.01 179.04 3bxx h THR 56 N -0.18 1.43 0.00 1.13 2.02 -1.94 -3.41 112.91 111.95 3bxx h THR 56 Ca 0.02 -1.91 -0.24 0.00 0.77 0.00 0.00 66.41 65.04 3bxx h THR 56 Cb 0.32 2.46 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 3bxx h THR 56 CO 0.00 0.55 -1.91 1.41 0.37 0.00 0.00 175.52 175.94 3bxx n HIS 57 N -4.31 0.00 -3.14 3.16 8.25 -0.61 -4.96 115.22 113.60 3bxx n HIS 57 Ca -0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.97 3bxx n HIS 57 Cb 0.59 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 3bxx n HIS 57 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3bxx s LEU 58 N -5.29 4.19 0.21 2.41 2.96 -1.07 -2.97 118.68 119.12 3bxx s LEU 58 Ca -0.12 0.87 0.11 0.00 -0.22 0.00 0.00 54.13 54.77 3bxx s LEU 58 Cb 0.04 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3bxx s LEU 58 CO 0.49 -0.21 -0.19 0.42 -1.32 0.00 0.00 176.35 175.54 3bxx s THR 59 N 1.55 2.60 0.26 3.68 -4.23 -0.91 -4.70 115.64 113.89 3bxx s THR 59 Ca 0.29 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 3bxx s THR 59 Cb -0.16 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 3bxx s THR 59 CO 0.11 -0.19 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.04 3bxx s LEU 60 N -2.93 2.56 -0.05 4.79 1.43 -1.26 -1.21 118.68 122.01 3bxx s LEU 60 Ca 0.24 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 3bxx s LEU 60 Cb -0.07 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.11 3bxx s LEU 60 CO 0.12 0.03 0.39 0.26 0.23 0.00 0.00 176.35 177.39 3bxx s TRP 61 N -2.41 -0.31 -0.42 0.29 0.52 0.32 -4.89 118.94 112.03 3bxx s TRP 61 Ca 0.28 0.57 -0.08 0.00 0.02 0.00 0.00 56.10 56.89 3bxx s TRP 61 Cb -0.05 0.16 0.09 0.00 -1.15 0.00 0.00 33.47 32.52 3bxx s TRP 61 CO 0.13 -0.39 0.26 0.21 0.02 0.00 0.00 176.95 177.18 3bxx s LYS 62 N -0.99 2.50 0.04 4.98 2.20 -1.26 -1.09 119.74 126.11 3bxx s LYS 62 Ca -0.10 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 3bxx s LYS 62 Cb -0.04 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 3bxx s LYS 62 CO 0.04 -1.00 -0.04 0.00 -0.36 0.00 0.00 175.35 173.99 3bxx s ALA 63 N 1.37 0.37 -0.06 3.13 0.00 -0.92 -4.91 121.76 120.74 3bxx s ALA 63 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3bxx s ALA 63 Cb -0.23 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3bxx s ALA 63 CO 0.01 -0.18 0.01 0.34 0.00 0.00 0.00 175.76 175.94 3bxx s ASP 64 N -1.91 1.34 0.39 0.00 -1.08 -1.26 -3.76 116.67 110.39 3bxx s ASP 64 Ca -0.08 -0.05 0.20 0.00 -0.52 0.00 0.00 52.55 52.10 3bxx s ASP 64 Cb -0.05 -0.37 1.18 0.00 -1.46 0.00 0.00 42.92 42.22 3bxx s ASP 64 CO -0.03 -0.18 1.71 -0.07 0.52 0.00 0.00 175.17 177.12 3bxx h LEU 65 N 8.14 0.42 -0.60 -1.34 3.38 -1.97 0.46 115.31 123.80 3bxx h LEU 65 Ca -0.22 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bxx h LEU 65 Cb 1.13 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3bxx h LEU 65 CO 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3bxx n ALA 66 N -2.45 1.42 -2.59 1.53 0.00 -1.26 -4.30 120.51 112.86 3bxx n ALA 66 Ca 0.30 0.07 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 3bxx n ALA 66 Cb 1.04 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 3bxx n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bxx s ASP 67 N -3.72 6.01 0.09 0.00 1.01 0.16 -5.03 116.67 115.19 3bxx s ASP 67 Ca 0.03 -0.05 -0.35 0.00 0.71 0.00 0.00 52.55 52.89 3bxx s ASP 67 Cb 0.07 -2.12 -0.15 0.00 1.01 0.00 0.00 42.92 41.74 3bxx s ASP 67 CO 0.26 -0.06 1.55 1.21 0.21 0.00 0.00 175.17 178.34 3bxx n GLU 68 N 5.06 1.82 -1.64 8.23 2.13 -1.26 -2.49 120.64 132.50 3bxx n GLU 68 Ca -0.14 0.66 -0.18 0.00 0.66 0.00 0.00 57.16 58.16 3bxx n GLU 68 Cb 0.52 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 3bxx n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bxx n GLY 69 N 3.31 1.43 0.00 8.31 0.00 -1.26 -4.85 105.19 112.13 3bxx n GLY 69 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3bxx n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bxx n SER 70 N -1.16 0.00 -0.20 1.61 3.41 -1.04 -3.45 113.62 112.79 3bxx n SER 70 Ca -0.18 -0.27 0.07 0.00 -0.26 0.00 0.00 58.87 58.23 3bxx n SER 70 Cb 0.60 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3bxx n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3bxx n PHE 71 N -1.16 0.00 -0.17 7.33 3.72 -1.26 -4.43 117.46 121.49 3bxx n PHE 71 Ca 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 3bxx n PHE 71 Cb 0.11 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3bxx n PHE 71 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3bxx h ASP 72 N 0.98 -0.57 0.54 4.37 3.32 -1.94 -2.33 116.42 120.78 3bxx h ASP 72 Ca 0.00 0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3bxx h ASP 72 Cb 0.45 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3bxx h ASP 72 CO 0.00 -0.20 -0.24 -0.33 -1.72 0.00 0.00 179.24 176.75 3bxx h GLU 73 N -0.03 0.00 0.00 3.56 5.08 -1.86 -1.28 114.58 120.04 3bxx h GLU 73 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3bxx h GLU 73 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3bxx h GLU 73 CO -0.56 0.24 -0.79 0.00 -1.00 0.00 0.00 179.01 176.90 3bxx n ALA 74 N -2.32 3.44 -0.04 3.43 0.00 -0.99 -4.26 120.51 119.77 3bxx n ALA 74 Ca -0.01 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 3bxx n ALA 74 Cb 0.35 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 3bxx n ALA 74 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3bxx n ILE 75 N -1.83 1.68 -1.00 0.00 5.41 -0.61 -4.69 119.36 118.33 3bxx n ILE 75 Ca 0.03 -0.60 -0.39 0.00 1.00 0.00 0.00 62.75 62.80 3bxx n ILE 75 Cb 0.40 -1.66 -0.05 0.00 -0.71 0.00 0.00 39.64 37.62 3bxx n ILE 75 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bxx n LYS 76 N -3.47 0.00 -0.93 0.38 5.02 -0.59 -1.53 118.16 117.04 3bxx n LYS 76 Ca -0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 3bxx n LYS 76 Cb 1.01 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 3bxx n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bxx n GLY 77 N 1.17 0.62 3.87 0.72 0.00 -1.26 -5.02 105.19 105.29 3bxx n GLY 77 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3bxx n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx n THR 79 N -1.24 1.64 -4.37 0.00 -2.24 0.16 -2.86 114.28 105.35 3bxx n THR 79 Ca 0.03 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 3bxx n THR 79 Cb 0.54 -1.87 -0.11 0.00 -2.10 0.00 0.00 70.33 66.79 3bxx n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bxx s GLY 80 N -5.30 1.54 -0.14 3.38 0.00 -1.24 0.14 107.32 105.70 3bxx s GLY 80 Ca -0.27 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 3bxx s GLY 80 CO 0.66 -1.72 0.13 0.14 0.00 0.00 0.00 173.10 172.31 3bxx s VAL 81 N -2.46 -0.18 -0.44 1.40 1.01 -1.10 -0.05 120.40 118.58 3bxx s VAL 81 Ca 0.22 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 3bxx s VAL 81 Cb -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.88 3bxx s VAL 81 CO 0.09 -0.12 0.52 -0.36 0.00 0.00 0.00 175.10 175.23 3bxx s PHE 82 N 2.22 3.12 -1.14 5.22 0.40 0.10 -2.21 117.98 125.70 3bxx s PHE 82 Ca 0.04 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 3bxx s PHE 82 Cb -0.15 -3.12 0.13 0.00 0.51 0.00 0.00 43.02 40.39 3bxx s PHE 82 CO -0.08 -0.80 1.41 -1.58 0.70 0.00 0.00 175.22 174.87 3bxx s HIS 83 N 2.40 3.19 -2.48 0.36 2.46 -0.58 -0.64 115.29 120.00 3bxx s HIS 83 Ca 0.15 -1.74 0.25 0.00 0.47 0.00 0.00 55.06 54.19 3bxx s HIS 83 Cb -0.17 -4.42 0.83 0.00 -0.13 0.00 0.00 32.58 28.69 3bxx s HIS 83 CO 0.15 -1.54 1.61 0.28 -2.47 0.00 0.00 174.74 172.77 3bxx n VAL 84 N 5.36 0.10 -3.45 0.89 0.31 -1.16 -2.75 118.33 117.62 3bxx n VAL 84 Ca 0.35 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 3bxx n VAL 84 Cb 0.46 0.59 -0.05 0.00 -0.91 0.00 0.00 33.84 33.92 3bxx n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bxx s ALA 85 N -1.90 3.63 -0.21 3.52 0.00 -1.15 -4.85 121.76 120.80 3bxx s ALA 85 Ca 0.35 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 3bxx s ALA 85 Cb 0.20 -2.41 0.07 0.00 0.00 0.00 0.00 23.12 20.98 3bxx s ALA 85 CO 0.31 0.51 0.67 -0.08 0.00 0.00 0.00 175.76 177.17 3bxx s THR 86 N -1.56 0.00 0.66 0.00 -1.32 -1.26 -5.01 115.64 107.15 3bxx s THR 86 Ca 0.40 -0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.71 3bxx s THR 86 Cb -0.13 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3bxx s THR 86 CO 0.20 -0.01 1.12 -2.16 -2.21 0.00 0.00 174.62 171.56 3bxx s PRO 87 N 0.01 2.75 0.38 7.08 0.04 -1.26 -5.09 135.00 138.91 3bxx s PRO 87 Ca -0.02 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.49 3bxx s PRO 87 Cb -0.04 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.60 3bxx s PRO 87 CO 0.03 -1.30 0.35 -1.33 0.04 0.00 0.00 177.00 174.79 3bxx n MET 88 N -2.42 0.88 -3.31 4.56 2.00 -1.26 -5.01 117.12 112.56 3bxx n MET 88 Ca 0.11 -2.28 -0.34 0.00 0.00 0.00 0.00 57.70 55.19 3bxx n MET 88 Cb 0.52 0.13 -0.05 0.00 0.00 0.00 0.00 33.22 33.83 3bxx n MET 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3bxx n ASP 89 N -2.07 4.81 -0.02 7.83 2.03 -1.26 -4.70 116.55 123.18 3bxx n ASP 89 Ca 0.02 -3.38 -0.16 0.00 0.52 0.00 0.00 54.79 51.79 3bxx n ASP 89 Cb 0.42 -0.95 -0.13 0.00 -0.72 0.00 0.00 41.12 39.74 3bxx n ASP 89 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3bxx h PHE 90 N 4.94 0.27 0.00 -0.67 3.57 -1.96 -3.34 116.94 119.74 3bxx h PHE 90 Ca 0.19 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.34 3bxx h PHE 90 Cb 0.67 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3bxx h PHE 90 CO 0.83 1.06 -0.96 0.93 -2.23 0.00 0.00 178.31 177.93 3bxx h GLU 91 N -0.60 0.00 -5.51 1.11 4.39 -2.00 -3.48 114.58 108.50 3bxx h GLU 91 Ca -0.05 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.23 3bxx h GLU 91 Cb 1.18 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.85 3bxx h GLU 91 CO 0.06 0.71 -0.66 0.43 -1.16 0.00 0.00 179.01 178.39 3bxx n SER 92 N -3.23 -5.40 -0.08 1.42 7.64 -1.26 -4.86 113.62 107.85 3bxx n SER 92 Ca -0.02 -0.51 -0.14 0.00 1.01 0.00 0.00 58.87 59.21 3bxx n SER 92 Cb 0.88 -4.33 -0.07 0.00 -1.01 0.00 0.00 64.21 59.67 3bxx n SER 92 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bxx n LYS 93 N -4.41 0.40 -3.34 1.43 5.02 -1.26 -4.96 118.16 111.03 3bxx n LYS 93 Ca -0.02 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 3bxx n LYS 93 Cb 0.56 -1.27 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 3bxx n LYS 93 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bxx s ASP 94 N -5.87 1.43 0.27 4.39 -1.08 -1.26 -5.04 116.67 109.51 3bxx s ASP 94 Ca -0.23 -2.10 0.10 0.00 -0.52 0.00 0.00 52.55 49.80 3bxx s ASP 94 Cb 0.07 0.21 0.36 0.00 -1.46 0.00 0.00 42.92 42.10 3bxx s ASP 94 CO 0.36 -0.23 1.61 1.55 0.52 0.00 0.00 175.17 178.98 3bxx h PRO 95 N 6.53 0.03 -0.21 4.34 0.13 -1.95 0.27 132.00 141.13 3bxx h PRO 95 Ca 0.11 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3bxx h PRO 95 Cb 1.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 3bxx h PRO 95 CO 0.24 0.63 -0.18 0.93 -0.23 0.00 0.00 178.00 179.39 3bxx h GLU 96 N 0.02 -0.18 -0.07 0.86 4.39 -1.96 0.41 114.58 118.06 3bxx h GLU 96 Ca -0.01 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 3bxx h GLU 96 Cb 1.08 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3bxx h GLU 96 CO 0.08 -0.12 -0.49 -0.91 -1.16 0.00 0.00 179.01 176.41 3bxx h ASN 97 N -0.19 0.55 0.33 1.42 2.35 -1.92 0.65 115.58 118.78 3bxx h ASN 97 Ca 0.12 -0.67 -0.14 0.00 -0.55 0.00 0.00 56.30 55.06 3bxx h ASN 97 Cb 0.37 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3bxx h ASN 97 CO -0.32 1.14 -0.57 -0.08 -1.65 0.00 0.00 177.43 175.95 3bxx h GLU 98 N 0.01 0.25 0.00 0.81 4.81 -0.49 -3.38 114.58 116.59 3bxx h GLU 98 Ca -0.04 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3bxx h GLU 98 Cb 1.15 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3bxx h GLU 98 CO 0.10 0.75 -0.03 0.28 -0.73 0.00 0.00 179.01 179.38 3bxx n VAL 99 N -3.90 1.15 0.25 0.32 0.31 0.13 -4.67 118.33 111.92 3bxx n VAL 99 Ca -0.02 0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 64.53 3bxx n VAL 99 Cb 0.59 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.88 3bxx n VAL 99 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3bxx h ILE 100 N -0.03 0.52 0.18 2.52 2.04 -1.11 -2.60 117.51 119.04 3bxx h ILE 100 Ca 0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3bxx h ILE 100 Cb 0.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3bxx h ILE 100 CO 0.00 0.05 -0.23 0.50 0.00 0.00 0.00 178.15 178.47 3bxx h LYS 101 N -0.78 -0.45 0.00 2.37 3.64 0.11 -2.23 116.57 119.23 3bxx h LYS 101 Ca -0.06 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3bxx h LYS 101 Cb 0.55 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3bxx h LYS 101 CO 0.10 -0.30 -0.08 -1.35 -2.27 0.00 0.00 179.45 175.55 3bxx h PRO 102 N -0.46 0.00 0.01 1.90 0.11 -1.74 -1.23 132.00 130.59 3bxx h PRO 102 Ca 0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 3bxx h PRO 102 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3bxx h PRO 102 CO -0.09 0.08 -0.68 1.15 -0.21 0.00 0.00 178.00 178.26 3bxx h THR 103 N 0.00 1.41 0.46 -1.15 2.02 -1.01 0.18 112.91 114.83 3bxx h THR 103 Ca -0.00 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.03 3bxx h THR 103 Cb 0.21 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3bxx h THR 103 CO 0.01 0.62 -0.22 0.40 0.37 0.00 0.00 175.52 176.70 3bxx h ILE 104 N -0.05 0.00 0.00 3.11 2.04 -1.38 -1.97 117.51 119.26 3bxx h ILE 104 Ca -0.09 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3bxx h ILE 104 Cb 1.39 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3bxx h ILE 104 CO 0.13 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.90 3bxx h GLU 105 N -0.96 0.00 0.53 2.37 5.08 -1.36 -2.61 114.58 117.64 3bxx h GLU 105 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3bxx h GLU 105 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3bxx h GLU 105 CO 0.10 0.05 -0.26 0.78 -1.00 0.00 0.00 179.01 178.69 3bxx h GLY 106 N 1.26 -0.75 -0.63 -3.84 0.00 -0.71 -2.89 103.07 95.51 3bxx h GLY 106 Ca -0.00 0.28 0.16 0.00 0.00 0.00 0.00 47.33 47.77 3bxx h GLY 106 CO 0.01 -0.27 -0.21 1.98 0.00 0.00 0.00 176.54 178.04 3bxx h MET 107 N -0.77 -0.01 -0.54 4.80 1.85 -0.99 0.15 114.93 119.42 3bxx h MET 107 Ca -0.07 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.94 3bxx h MET 107 Cb 0.55 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 3bxx h MET 107 CO 0.12 -0.00 0.04 -0.07 -0.40 0.00 0.00 176.91 176.60 3bxx h LEU 108 N -0.01 0.84 -0.42 3.39 3.38 -1.63 -0.58 115.31 120.30 3bxx h LEU 108 Ca 0.38 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3bxx h LEU 108 Cb 0.59 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3bxx h LEU 108 CO -0.83 0.88 -0.01 1.23 0.09 0.00 0.00 178.44 179.79 3bxx h GLY 109 N 0.99 0.40 1.21 0.83 0.00 -0.53 -0.65 103.07 105.33 3bxx h GLY 109 Ca 0.16 0.06 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 3bxx h GLY 109 CO 0.02 -0.11 -0.96 -2.22 0.00 0.00 0.00 176.54 173.26 3bxx h ILE 110 N 0.09 1.28 0.15 2.60 2.04 -0.73 -2.05 117.51 120.89 3bxx h ILE 110 Ca 0.21 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 3bxx h ILE 110 Cb 0.30 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3bxx h ILE 110 CO -0.36 0.67 -0.15 0.24 0.00 0.00 0.00 178.15 178.55 3bxx h MET 111 N 0.44 -0.29 -0.48 2.37 2.86 -1.10 0.99 114.93 119.72 3bxx h MET 111 Ca -0.10 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3bxx h MET 111 Cb 1.60 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 33.27 3bxx h MET 111 CO 0.19 -0.19 -0.29 1.63 1.06 0.00 0.00 176.91 179.31 3bxx n LYS 112 N -3.25 -0.21 -0.33 1.72 5.02 -0.26 0.57 118.16 121.42 3bxx n LYS 112 Ca -0.04 0.97 0.19 0.00 -2.02 0.00 0.00 58.31 57.41 3bxx n LYS 112 Cb 0.14 -1.43 0.40 0.00 -0.02 0.00 0.00 35.03 34.11 3bxx n LYS 112 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3bxx h SER 113 N 0.00 0.47 0.73 4.39 0.02 -1.31 0.15 113.55 118.00 3bxx h SER 113 Ca 0.08 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3bxx h SER 113 Cb 0.20 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3bxx h SER 113 CO -0.46 -0.04 -0.42 0.00 -1.14 0.00 0.00 176.83 174.77 3bxx h ALA 115 N -0.88 -0.43 -0.25 0.00 0.00 -0.40 -2.71 119.26 114.61 3bxx h ALA 115 Ca -0.10 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3bxx h ALA 115 Cb 0.85 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 3bxx h ALA 115 CO 0.12 -0.86 -0.26 0.00 0.00 0.00 0.00 179.25 178.25 3bxx h ALA 116 N 0.42 -0.15 -1.16 0.00 0.00 -0.73 -2.04 119.26 115.60 3bxx h ALA 116 Ca 0.13 0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.45 3bxx h ALA 116 Cb 0.58 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3bxx h ALA 116 CO -0.55 -0.68 1.05 0.00 0.00 0.00 0.00 179.25 179.07 3bxx h ALA 117 N 0.76 3.04 -0.02 0.00 0.00 -0.73 -3.45 119.26 118.87 3bxx h ALA 117 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3bxx h ALA 117 Cb 0.47 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bxx h ALA 117 CO -0.40 -1.65 -0.01 1.63 0.00 0.00 0.00 179.25 178.83 3bxx n LYS 118 N -3.66 -1.82 0.00 0.00 4.01 -0.77 -4.63 118.16 111.29 3bxx n LYS 118 Ca 0.25 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.52 3bxx n LYS 118 Cb 1.42 -4.84 0.00 0.00 -0.51 0.00 0.00 35.03 31.09 3bxx n LYS 118 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3bxx n THR 119 N -2.09 0.00 -2.34 -0.18 -1.04 -1.26 -4.99 114.28 102.37 3bxx n THR 119 Ca -0.00 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.44 3bxx n THR 119 Cb 0.46 0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 69.59 3bxx n THR 119 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3bxx s VAL 120 N -1.47 3.62 -0.24 12.58 1.01 -1.14 -4.28 120.40 130.48 3bxx s VAL 120 Ca 0.00 0.41 0.28 0.00 0.00 0.00 0.00 61.98 62.67 3bxx s VAL 120 Cb 0.00 -4.48 0.35 0.00 0.00 0.00 0.00 36.38 32.26 3bxx s VAL 120 CO 0.00 -1.37 1.78 0.08 0.00 0.00 0.00 175.10 175.59 3bxx h ARG 121 N 11.89 0.00 -1.69 2.72 0.11 0.91 -3.46 114.38 124.85 3bxx h ARG 121 Ca -0.27 0.00 0.05 0.00 0.10 0.00 0.00 59.98 59.86 3bxx h ARG 121 Cb 1.10 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.93 3bxx h ARG 121 CO 1.23 0.00 0.34 0.50 0.10 0.00 0.00 179.97 182.14 3bxx s ARG 122 N -3.40 0.55 -0.24 0.08 3.52 -1.16 -4.68 118.95 113.63 3bxx s ARG 122 Ca 0.05 0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 3bxx s ARG 122 Cb 0.07 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 3bxx s ARG 122 CO 0.60 -0.08 0.10 -1.17 -0.81 0.00 0.00 175.30 173.93 3bxx s LEU 123 N 0.64 3.70 -0.23 -0.88 0.20 -1.15 -2.70 118.68 118.25 3bxx s LEU 123 Ca -0.01 -0.07 -0.10 0.00 0.69 0.00 0.00 54.13 54.63 3bxx s LEU 123 Cb -0.05 -1.99 -0.05 0.00 -0.43 0.00 0.00 46.19 43.68 3bxx s LEU 123 CO -0.08 0.02 0.16 -0.69 -0.29 0.00 0.00 176.35 175.47 3bxx s VAL 124 N 1.28 5.37 -0.22 1.68 1.01 -0.94 -2.29 120.40 126.29 3bxx s VAL 124 Ca 0.05 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 3bxx s VAL 124 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3bxx s VAL 124 CO 0.05 0.36 0.01 0.12 0.00 0.00 0.00 175.10 175.64 3bxx s PHE 125 N 0.92 3.03 -0.32 5.22 5.36 -0.48 -1.52 117.98 130.19 3bxx s PHE 125 Ca 0.08 -0.58 -0.28 0.00 -0.96 0.00 0.00 56.93 55.18 3bxx s PHE 125 Cb -0.13 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3bxx s PHE 125 CO 0.03 -0.36 1.05 0.99 -1.46 0.00 0.00 175.22 175.47 3bxx s THR 126 N 1.32 4.53 0.00 0.12 2.01 -1.11 -0.62 115.64 121.89 3bxx s THR 126 Ca 0.04 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3bxx s THR 126 Cb -0.15 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 67.97 3bxx s THR 126 CO 0.01 -0.47 0.00 -0.24 -0.69 0.00 0.00 174.62 173.23 3bxx n SER 127 N 6.82 0.31 -3.91 3.53 2.88 0.46 -4.85 113.62 118.86 3bxx n SER 127 Ca 0.11 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.54 3bxx n SER 127 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 3bxx n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3bxx s SER 128 N -0.61 0.09 0.28 -3.46 0.15 -1.26 -4.31 113.70 104.58 3bxx s SER 128 Ca 0.00 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.47 3bxx s SER 128 Cb 0.00 0.06 0.68 0.00 -1.71 0.00 0.00 66.02 65.04 3bxx s SER 128 CO 0.00 -0.13 1.64 0.00 1.20 0.00 0.00 173.24 175.95 3bxx h ALA 129 N 5.49 1.21 0.00 5.45 0.00 -1.73 0.57 119.26 130.26 3bxx h ALA 129 Ca -0.27 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bxx h ALA 129 Cb 1.21 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3bxx h ALA 129 CO 0.46 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3bxx n GLY 130 N -1.38 -0.74 0.10 0.00 0.00 -1.26 -0.22 105.19 101.69 3bxx n GLY 130 Ca 0.20 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3bxx n GLY 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bxx h THR 131 N 0.00 0.00 0.00 2.61 1.35 -1.15 -3.41 112.91 112.32 3bxx h THR 131 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3bxx h THR 131 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3bxx h THR 131 CO 0.00 0.00 -0.55 0.52 -0.25 0.00 0.00 175.52 175.24 3bxx n VAL 132 N -2.46 1.33 -1.83 6.82 0.31 0.69 0.18 118.33 123.35 3bxx n VAL 132 Ca 0.02 0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 3bxx n VAL 132 Cb 0.49 -2.32 0.08 0.00 -0.91 0.00 0.00 33.84 31.18 3bxx n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3bxx n ASN 133 N -4.42 4.35 -4.23 4.52 6.94 -1.17 -2.84 115.26 118.41 3bxx n ASN 133 Ca -0.08 -3.79 -0.42 0.00 -0.02 0.00 0.00 54.58 50.27 3bxx n ASN 133 Cb 0.28 -0.46 -0.06 0.00 -2.36 0.00 0.00 39.78 37.18 3bxx n ASN 133 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3bxx s ILE 134 N -4.25 4.62 0.14 1.53 -1.09 -1.26 -4.99 121.20 115.91 3bxx s ILE 134 Ca 0.49 -2.31 -0.22 0.00 -2.23 0.00 0.00 60.65 56.39 3bxx s ILE 134 Cb 0.41 -3.96 0.06 0.00 -1.58 0.00 0.00 42.46 37.40 3bxx s ILE 134 CO 0.01 -0.90 0.55 0.00 -1.23 0.00 0.00 174.94 173.38 3bxx s GLN 135 N 0.60 1.21 0.10 2.79 -2.07 -1.26 -0.89 119.66 120.14 3bxx s GLN 135 Ca 0.13 -0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 52.88 3bxx s GLN 135 Cb -0.20 0.55 -0.11 0.00 -1.09 0.00 0.00 33.01 32.16 3bxx s GLN 135 CO -0.04 -0.51 1.62 1.49 -1.32 0.00 0.00 175.29 176.53 3bxx h GLU 136 N 2.16 -0.61 -6.12 9.60 4.81 -1.96 -3.41 114.58 119.05 3bxx h GLU 136 Ca -0.34 0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.25 3bxx h GLU 136 Cb 1.29 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 30.63 3bxx h GLU 136 CO 0.40 -0.41 -0.67 -1.01 -0.73 0.00 0.00 179.01 176.59 3bxx s HIS 137 N -6.01 3.00 -0.14 0.92 3.76 -1.26 -5.10 115.29 110.47 3bxx s HIS 137 Ca -0.16 0.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 3bxx s HIS 137 Cb 0.07 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3bxx s HIS 137 CO 0.64 0.38 0.49 -0.65 -0.85 0.00 0.00 174.74 174.75 3bxx s GLN 138 N -0.97 4.31 0.54 1.40 -1.52 -1.26 -5.05 119.66 117.10 3bxx s GLN 138 Ca 0.14 0.45 -0.21 0.00 -1.95 0.00 0.00 55.36 53.79 3bxx s GLN 138 Cb -0.11 -3.47 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 3bxx s GLN 138 CO 0.03 0.08 1.25 -0.51 -0.25 0.00 0.00 175.29 175.90 3bxx s LEU 139 N 0.86 3.84 0.25 2.90 1.43 -1.26 -4.91 118.68 121.79 3bxx s LEU 139 Ca 0.26 2.51 0.25 0.00 -1.03 0.00 0.00 54.13 56.12 3bxx s LEU 139 Cb -0.15 -4.37 0.93 0.00 0.03 0.00 0.00 46.19 42.63 3bxx s LEU 139 CO 0.10 -1.40 1.74 -0.81 0.23 0.00 0.00 176.35 176.21 3bxx n PRO 140 N -1.06 0.22 -3.74 1.29 -0.04 -1.26 -4.71 135.00 125.70 3bxx n PRO 140 Ca 0.11 0.36 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 3bxx n PRO 140 Cb 0.47 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 3bxx n PRO 140 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bxx s VAL 141 N -3.25 0.01 -0.05 0.52 1.01 -1.26 -2.94 120.40 114.43 3bxx s VAL 141 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3bxx s VAL 141 Cb 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3bxx s VAL 141 CO 0.46 -0.02 -0.15 -0.31 0.00 0.00 0.00 175.10 175.07 3bxx s TYR 142 N 0.05 2.67 0.26 5.22 2.02 0.01 -4.97 117.35 122.61 3bxx s TYR 142 Ca -0.01 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3bxx s TYR 142 Cb -0.03 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3bxx s TYR 142 CO 0.01 0.16 0.11 -0.40 -1.57 0.00 0.00 175.55 173.87 3bxx n ASP 143 N 2.33 0.80 0.17 2.29 5.75 -1.26 -1.46 116.55 125.17 3bxx n ASP 143 Ca -0.17 -2.43 0.12 0.00 -0.01 0.00 0.00 54.79 52.30 3bxx n ASP 143 Cb 0.52 0.77 0.60 0.00 -1.03 0.00 0.00 41.12 41.98 3bxx n ASP 143 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3bxx h GLU 144 N 0.00 0.00 0.00 0.11 3.07 -1.93 -2.56 114.58 113.27 3bxx h GLU 144 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3bxx h GLU 144 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3bxx h GLU 144 CO 0.31 0.00 -0.22 -1.13 -1.40 0.00 0.00 179.01 176.57 3bxx n SER 145 N -2.35 0.29 -4.65 1.42 3.41 -1.26 -4.83 113.62 105.65 3bxx n SER 145 Ca -0.00 0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.43 3bxx n SER 145 Cb 0.11 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3bxx n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bxx s TRP 147 N 1.99 2.87 0.85 0.00 0.52 -1.26 -4.34 118.94 119.59 3bxx s TRP 147 Ca 0.26 -0.08 -0.11 0.00 0.02 0.00 0.00 56.10 56.19 3bxx s TRP 147 Cb -0.16 -1.51 0.10 0.00 -1.15 0.00 0.00 33.47 30.76 3bxx s TRP 147 CO 0.10 0.44 1.10 -1.12 0.02 0.00 0.00 176.95 177.49 3bxx s SER 148 N -2.09 3.73 -0.55 2.95 0.01 0.46 -4.82 113.70 113.39 3bxx s SER 148 Ca 0.22 1.83 -0.19 0.00 1.31 0.00 0.00 55.95 59.12 3bxx s SER 148 Cb -0.11 -2.45 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3bxx s SER 148 CO 0.14 -2.53 0.69 -0.62 0.41 0.00 0.00 173.24 171.33 3bxx s ASP 149 N -3.18 6.21 0.42 2.44 -1.08 -0.07 -4.90 116.67 116.50 3bxx s ASP 149 Ca 0.63 -1.13 0.20 0.00 -0.52 0.00 0.00 52.55 51.74 3bxx s ASP 149 Cb -0.19 -2.31 0.93 0.00 -1.46 0.00 0.00 42.92 39.89 3bxx s ASP 149 CO 0.57 -1.03 1.86 0.24 0.52 0.00 0.00 175.17 177.34 3bxx h MET 150 N 9.12 0.00 -0.60 4.34 2.86 -1.92 -1.77 114.93 126.96 3bxx h MET 150 Ca -0.28 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3bxx h MET 150 Cb 1.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 3bxx h MET 150 CO 1.04 0.29 0.20 0.93 1.06 0.00 0.00 176.91 180.43 3bxx h GLU 151 N 0.00 0.92 -0.40 1.72 5.08 -1.97 -2.68 114.58 117.25 3bxx h GLU 151 Ca -0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 3bxx h GLU 151 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3bxx h GLU 151 CO 0.04 0.81 -0.22 0.35 -1.00 0.00 0.00 179.01 178.99 3bxx h PHE 152 N 0.84 0.90 -0.37 4.33 3.57 -1.85 -0.82 116.94 123.54 3bxx h PHE 152 Ca 0.19 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3bxx h PHE 152 Cb 0.27 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3bxx h PHE 152 CO 0.02 0.94 0.14 0.00 -2.23 0.00 0.00 178.31 177.18 3bxx h ARG 154 N 0.45 0.03 -0.47 0.00 2.47 -1.25 -1.53 114.38 114.07 3bxx h ARG 154 Ca 0.12 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3bxx h ARG 154 Cb 0.20 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3bxx h ARG 154 CO -0.01 0.76 0.01 0.00 0.56 0.00 0.00 179.97 181.29 3bxx h ALA 155 N 1.23 0.63 0.05 0.04 0.00 -1.12 -3.38 119.26 116.71 3bxx h ALA 155 Ca -0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 54.91 54.26 3bxx h ALA 155 Cb 1.32 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3bxx h ALA 155 CO 0.10 0.43 -2.21 1.63 0.00 0.00 0.00 179.25 179.19 3bxx n LYS 156 N -4.36 0.69 -3.42 0.00 4.76 -0.79 -5.02 118.16 110.02 3bxx n LYS 156 Ca 0.00 0.19 -0.19 0.00 -2.87 0.00 0.00 58.31 55.45 3bxx n LYS 156 Cb 0.30 -1.62 0.07 0.00 -1.84 0.00 0.00 35.03 31.94 3bxx n LYS 156 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bxx n LYS 157 N -3.27 -3.44 -1.96 1.97 4.76 -0.58 -5.00 118.16 110.64 3bxx n LYS 157 Ca -0.36 0.77 -0.29 0.00 -2.87 0.00 0.00 58.31 55.55 3bxx n LYS 157 Cb 1.04 -5.50 0.05 0.00 -1.84 0.00 0.00 35.03 28.78 3bxx n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bxx s MET 158 N -5.07 2.73 0.31 1.97 0.23 -1.26 -4.89 119.30 113.33 3bxx s MET 158 Ca 0.30 0.33 -0.27 0.00 -1.03 0.00 0.00 55.69 55.02 3bxx s MET 158 Cb -0.05 -2.05 -0.13 0.00 -1.53 0.00 0.00 34.83 31.06 3bxx s MET 158 CO 0.77 -1.07 1.00 2.41 -2.03 0.00 0.00 175.02 176.09 3bxx n THR 159 N -2.99 2.04 -1.19 3.16 -1.04 -1.26 -1.15 114.28 111.85 3bxx n THR 159 Ca 0.07 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.51 3bxx n THR 159 Cb 0.58 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 3bxx n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bxx n ALA 160 N 0.08 -0.10 -0.28 2.41 0.00 -1.26 -4.90 120.51 116.46 3bxx n ALA 160 Ca 0.09 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.70 3bxx n ALA 160 Cb 0.33 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.82 3bxx n ALA 160 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3bxx h TRP 161 N 0.00 0.95 -0.92 0.00 5.08 -1.48 -0.67 115.95 118.91 3bxx h TRP 161 Ca -0.13 0.03 0.03 0.00 1.08 0.00 0.00 58.89 59.90 3bxx h TRP 161 Cb 0.78 -0.31 -0.05 0.00 -3.00 0.00 0.00 29.16 26.58 3bxx h TRP 161 CO 0.41 0.46 0.60 0.00 -1.28 0.00 0.00 178.44 178.63 3bxx h MET 162 N 0.90 1.13 -0.16 0.12 -0.00 -1.91 -1.02 114.93 113.99 3bxx h MET 162 Ca 0.40 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.70 59.98 3bxx h MET 162 Cb 0.35 -0.25 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 3bxx h MET 162 CO -0.16 0.75 -0.14 1.88 -0.00 0.00 0.00 176.91 179.23 3bxx h TYR 163 N 1.16 0.27 0.06 -0.10 0.05 -1.53 -0.80 116.97 116.08 3bxx h TYR 163 Ca 0.37 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 3bxx h TYR 163 Cb -0.00 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.66 3bxx h TYR 163 CO -0.01 0.40 -0.03 0.74 -1.05 0.00 0.00 178.16 178.21 3bxx h PHE 164 N 0.24 -0.07 -0.82 4.88 0.04 -0.98 -3.16 116.94 117.06 3bxx h PHE 164 Ca 0.05 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.82 3bxx h PHE 164 Cb 0.40 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 3bxx h PHE 164 CO 0.01 0.39 0.53 0.28 -0.60 0.00 0.00 178.31 178.92 3bxx h VAL 165 N -0.97 1.22 0.05 -0.55 2.07 -1.23 -1.27 116.25 115.57 3bxx h VAL 165 Ca -0.01 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3bxx h VAL 165 Cb 0.49 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3bxx h VAL 165 CO 0.01 0.21 -0.02 0.77 0.02 0.00 0.00 177.57 178.56 3bxx h SER 166 N 1.12 -0.06 -0.33 0.57 4.64 -1.24 0.11 113.55 118.37 3bxx h SER 166 Ca 0.30 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 3bxx h SER 166 Cb -0.11 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3bxx h SER 166 CO -0.06 0.20 -0.21 0.11 -0.87 0.00 0.00 176.83 176.00 3bxx h LYS 167 N -0.31 0.81 -0.50 4.77 1.79 -1.50 -1.31 116.57 120.32 3bxx h LYS 167 Ca -0.01 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.09 3bxx h LYS 167 Cb 0.28 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 3bxx h LYS 167 CO 0.01 0.94 0.12 1.15 -1.08 0.00 0.00 179.45 180.59 3bxx h THR 168 N 0.71 1.24 0.00 -0.16 2.02 -1.02 -1.10 112.91 114.61 3bxx h THR 168 Ca 0.10 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 3bxx h THR 168 Cb 0.72 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3bxx h THR 168 CO 0.06 0.31 -0.59 -0.07 0.37 0.00 0.00 175.52 175.60 3bxx h LEU 169 N 0.69 0.00 0.09 2.58 3.38 -0.46 -2.11 115.31 119.47 3bxx h LEU 169 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bxx h LEU 169 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3bxx h LEU 169 CO 0.00 0.59 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 3bxx h ALA 170 N 1.41 -0.12 -0.61 1.53 0.00 -1.14 -2.18 119.26 118.16 3bxx h ALA 170 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3bxx h ALA 170 Cb 1.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3bxx h ALA 170 CO 0.08 -0.18 0.31 1.49 0.00 0.00 0.00 179.25 180.95 3bxx h GLU 171 N -0.88 0.87 -0.38 0.00 4.81 -1.18 -0.57 114.58 117.25 3bxx h GLU 171 Ca -0.01 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3bxx h GLU 171 Cb 0.58 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3bxx h GLU 171 CO 0.02 0.69 0.19 1.96 -0.73 0.00 0.00 179.01 181.14 3bxx h GLN 172 N 0.84 0.54 -0.32 1.92 4.20 -1.48 -2.59 115.11 118.21 3bxx h GLN 172 Ca 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3bxx h GLN 172 Cb 0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3bxx h GLN 172 CO -0.03 0.46 0.18 0.00 -0.67 0.00 0.00 178.83 178.78 3bxx h ALA 173 N 1.05 1.72 -0.20 3.87 0.00 -0.81 -2.29 119.26 122.60 3bxx h ALA 173 Ca 0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3bxx h ALA 173 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3bxx h ALA 173 CO -0.02 0.24 -0.48 0.00 0.00 0.00 0.00 179.25 178.99 3bxx h ALA 174 N 1.77 0.79 -0.03 0.00 0.00 -0.81 -2.57 119.26 118.41 3bxx h ALA 174 Ca 0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3bxx h ALA 174 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3bxx h ALA 174 CO -0.02 0.67 -0.07 -1.49 0.00 0.00 0.00 179.25 178.34 3bxx h TRP 175 N 0.41 0.13 -0.95 0.00 4.06 -1.13 0.23 115.95 118.70 3bxx h TRP 175 Ca 0.02 -0.05 0.19 0.00 2.06 0.00 0.00 58.89 61.12 3bxx h TRP 175 Cb 1.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 29.16 28.95 3bxx h TRP 175 CO 0.04 0.65 -0.22 -0.22 -3.56 0.00 0.00 178.44 175.13 3bxx h LYS 176 N -0.44 0.00 -0.18 0.49 3.64 -1.46 -0.83 116.57 117.80 3bxx h LYS 176 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3bxx h LYS 176 Cb 0.65 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3bxx h LYS 176 CO 0.01 0.00 -0.46 -0.92 -2.27 0.00 0.00 179.45 175.82 3bxx h TYR 177 N 0.00 0.80 0.18 1.91 3.20 -1.35 -2.58 116.97 119.13 3bxx h TYR 177 Ca 0.46 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3bxx h TYR 177 Cb 0.73 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3bxx h TYR 177 CO -0.72 1.08 -0.09 0.00 -1.64 0.00 0.00 178.16 176.79 3bxx h ALA 178 N 0.57 -0.25 -0.60 1.82 0.00 0.50 -2.82 119.26 118.49 3bxx h ALA 178 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3bxx h ALA 178 Cb 1.07 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3bxx h ALA 178 CO 0.10 -0.55 0.35 -0.22 0.00 0.00 0.00 179.25 178.93 3bxx h LYS 179 N -0.43 0.82 -0.01 0.00 1.63 -1.32 0.27 116.57 117.53 3bxx h LYS 179 Ca -0.03 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3bxx h LYS 179 Cb 0.33 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3bxx h LYS 179 CO 0.04 0.61 0.07 0.93 -3.45 0.00 0.00 179.45 177.65 3bxx h GLU 180 N 0.81 0.00 0.00 1.90 5.08 -1.41 -2.90 114.58 118.06 3bxx h GLU 180 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3bxx h GLU 180 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3bxx h GLU 180 CO -0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.06 3bxx n ASN 181 N -3.19 0.88 -3.91 1.42 3.02 -1.00 -5.03 115.26 107.45 3bxx n ASN 181 Ca -0.03 -0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 53.17 3bxx n ASN 181 Cb 0.14 0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.33 3bxx n ASN 181 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3bxx n ASN 182 N -0.01 -4.61 -4.73 6.41 0.23 0.85 -4.99 115.26 108.42 3bxx n ASN 182 Ca 0.00 -1.13 -0.39 0.00 -0.53 0.00 0.00 54.58 52.53 3bxx n ASN 182 Cb 0.03 -1.92 -0.05 0.00 -2.08 0.00 0.00 39.78 35.75 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3bxx s ILE 183 N -3.31 5.07 -0.21 1.53 -1.09 -0.69 -5.03 121.20 117.46 3bxx s ILE 183 Ca 0.31 1.25 -0.29 0.00 -2.23 0.00 0.00 60.65 59.68 3bxx s ILE 183 Cb -0.16 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 3bxx s ILE 183 CO 0.93 0.30 1.29 -0.62 -1.23 0.00 0.00 174.94 175.62 3bxx s ASP 184 N 0.57 6.83 -0.07 3.58 2.15 -1.26 -4.66 116.67 123.81 3bxx s ASP 184 Ca 0.33 1.54 -0.04 0.00 0.43 0.00 0.00 52.55 54.80 3bxx s ASP 184 Cb -0.17 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 39.95 3bxx s ASP 184 CO 0.15 -0.89 0.17 0.12 -0.17 0.00 0.00 175.17 174.56 3bxx s PHE 185 N 3.86 -0.21 0.10 -5.34 5.36 -1.26 -2.95 117.98 117.55 3bxx s PHE 185 Ca 0.56 0.54 0.09 0.00 -0.96 0.00 0.00 56.93 57.17 3bxx s PHE 185 Cb -0.20 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 3bxx s PHE 185 CO 0.18 -0.17 -0.22 0.42 -1.46 0.00 0.00 175.22 173.98 3bxx s ILE 186 N 0.97 2.57 0.24 3.12 -1.09 -0.97 -4.06 121.20 121.99 3bxx s ILE 186 Ca -0.07 -1.53 0.10 0.00 -2.23 0.00 0.00 60.65 56.92 3bxx s ILE 186 Cb -0.09 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3bxx s ILE 186 CO -0.05 0.16 -0.08 0.42 -1.23 0.00 0.00 174.94 174.15 3bxx s THR 187 N -1.05 3.11 -0.16 2.92 -4.23 -1.19 -1.38 115.64 113.67 3bxx s THR 187 Ca 0.15 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3bxx s THR 187 Cb -0.10 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.15 3bxx s THR 187 CO 0.07 -0.30 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.11 3bxx s ILE 188 N -2.17 1.45 -0.55 2.99 1.01 0.21 -1.85 121.20 122.29 3bxx s ILE 188 Ca 0.29 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 3bxx s ILE 188 Cb -0.07 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 41.01 3bxx s ILE 188 CO 0.17 0.33 0.80 -0.63 0.00 0.00 0.00 174.94 175.60 3bxx s ILE 189 N 1.52 4.61 0.40 2.92 1.09 0.27 -0.40 121.20 131.61 3bxx s ILE 189 Ca 0.03 -0.24 -0.07 0.00 -1.10 0.00 0.00 60.65 59.27 3bxx s ILE 189 Cb -0.14 -4.46 -0.05 0.00 -1.06 0.00 0.00 42.46 36.75 3bxx s ILE 189 CO -0.09 -1.04 0.71 -2.16 -0.10 0.00 0.00 174.94 172.26 3bxx s PRO 190 N 3.32 3.65 0.00 2.79 0.05 -1.26 -0.23 135.00 143.31 3bxx s PRO 190 Ca 0.21 0.22 0.00 0.00 0.05 0.00 0.00 61.00 61.48 3bxx s PRO 190 Cb -0.17 -2.46 0.00 0.00 0.05 0.00 0.00 34.50 31.92 3bxx s PRO 190 CO 0.14 -0.03 0.00 0.25 0.05 0.00 0.00 177.00 177.41 3bxx n THR 191 N -1.58 0.00 -2.09 1.26 -2.24 -1.26 -2.00 114.28 106.37 3bxx n THR 191 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3bxx n THR 191 Cb 0.54 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3bxx n THR 191 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bxx s LEU 192 N 0.00 3.87 -0.38 3.22 2.96 -1.10 -4.70 118.68 122.54 3bxx s LEU 192 Ca 0.00 1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 55.25 3bxx s LEU 192 Cb 0.00 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.18 3bxx s LEU 192 CO 0.00 -1.30 1.01 -0.69 -1.32 0.00 0.00 176.35 174.05 3bxx s VAL 193 N 5.36 4.48 0.05 1.68 1.01 -1.26 -2.63 120.40 129.09 3bxx s VAL 193 Ca 0.73 1.33 0.08 0.00 0.00 0.00 0.00 61.98 64.12 3bxx s VAL 193 Cb -0.25 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 3bxx s VAL 193 CO 0.30 -0.63 -0.21 -0.69 0.00 0.00 0.00 175.10 173.86 3bxx s VAL 194 N 3.74 1.72 -3.85 2.92 1.01 -0.87 -4.58 120.40 120.50 3bxx s VAL 194 Ca 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3bxx s VAL 194 Cb -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3bxx s VAL 194 CO 0.21 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3bxx n GLY 195 N 1.79 -1.26 3.93 4.51 0.00 -1.25 -2.24 105.19 110.67 3bxx n GLY 195 Ca -0.17 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 3bxx n GLY 195 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bxx s PRO 196 N -1.54 0.38 0.30 1.61 0.04 -1.22 -3.17 135.00 131.41 3bxx s PRO 196 Ca 0.00 -0.50 -0.16 0.00 0.04 0.00 0.00 61.00 60.38 3bxx s PRO 196 Cb 0.00 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.74 3bxx s PRO 196 CO 0.00 -2.58 0.65 -0.59 0.04 0.00 0.00 177.00 174.52 3bxx s PHE 197 N -3.94 0.15 -0.02 0.56 -0.71 -1.26 -4.90 117.98 107.86 3bxx s PHE 197 Ca 0.76 -0.61 0.03 0.00 -1.04 0.00 0.00 56.93 56.07 3bxx s PHE 197 Cb -0.03 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 3bxx s PHE 197 CO 0.54 -1.24 0.08 0.44 -1.34 0.00 0.00 175.22 173.69 3bxx n ILE 198 N -0.47 0.00 -0.57 -4.49 -5.35 -1.26 -5.04 119.36 102.19 3bxx n ILE 198 Ca -0.04 -0.11 -0.30 0.00 -0.27 0.00 0.00 62.75 62.04 3bxx n ILE 198 Cb 0.60 0.48 0.22 0.00 -1.74 0.00 0.00 39.64 39.19 3bxx n ILE 198 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 3bxx n MET 199 N -1.57 -1.75 0.00 6.28 0.00 -1.26 -4.87 117.12 113.96 3bxx n MET 199 Ca -0.00 -0.47 0.12 0.00 0.00 0.00 0.00 57.70 57.34 3bxx n MET 199 Cb 0.08 -2.13 0.12 0.00 0.00 0.00 0.00 33.22 31.30 3bxx n MET 199 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3bxx n SER 200 N -4.09 1.42 -4.32 3.17 3.41 -1.26 -4.95 113.62 106.99 3bxx n SER 200 Ca 0.05 -1.13 -0.27 0.00 -0.26 0.00 0.00 58.87 57.27 3bxx n SER 200 Cb 0.55 0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.79 3bxx n SER 200 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bxx s SER 201 N -2.61 2.86 0.15 4.04 1.04 -1.26 -5.04 113.70 112.88 3bxx s SER 201 Ca 0.18 -0.67 -0.34 0.00 0.48 0.00 0.00 55.95 55.59 3bxx s SER 201 Cb 0.18 -0.19 -0.14 0.00 0.10 0.00 0.00 66.02 65.96 3bxx s SER 201 CO 0.61 0.14 1.52 0.80 0.98 0.00 0.00 173.24 177.29 3bxx n MET 202 N 1.21 1.95 -2.76 4.02 1.56 -1.26 -4.92 117.12 116.92 3bxx n MET 202 Ca -0.18 0.70 -0.42 0.00 -0.27 0.00 0.00 57.70 57.53 3bxx n MET 202 Cb 0.53 -2.44 -0.03 0.00 2.15 0.00 0.00 33.22 33.43 3bxx n MET 202 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3bxx s PRO 203 N 0.78 4.46 0.55 2.12 0.02 -1.26 -4.96 135.00 136.70 3bxx s PRO 203 Ca 0.79 1.30 0.43 0.00 0.02 0.00 0.00 61.00 63.54 3bxx s PRO 203 Cb -0.73 -3.51 1.63 0.00 0.02 0.00 0.00 34.50 31.91 3bxx s PRO 203 CO 0.40 -0.19 1.69 -1.35 -0.33 0.00 0.00 177.00 177.23 3bxx h PRO 204 N 6.99 0.00 0.00 5.54 0.11 -1.99 0.81 132.00 143.46 3bxx h PRO 204 Ca -0.35 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.59 3bxx h PRO 204 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3bxx h PRO 204 CO 0.81 0.00 -0.82 0.66 -0.21 0.00 0.00 178.00 178.44 3bxx h SER 205 N 0.00 0.00 1.78 -2.05 4.64 -1.93 -3.29 113.55 112.69 3bxx h SER 205 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 3bxx h SER 205 Cb 2.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.03 3bxx h SER 205 CO -0.01 0.82 -0.16 -0.07 -0.87 0.00 0.00 176.83 176.54 3bxx h LEU 206 N 0.00 0.00 -1.14 5.97 3.38 0.40 0.27 115.31 124.19 3bxx h LEU 206 Ca -0.01 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.10 3bxx h LEU 206 Cb 1.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.29 3bxx h LEU 206 CO 0.11 0.00 0.61 0.40 0.09 0.00 0.00 178.44 179.64 3bxx h ILE 207 N 0.00 0.83 0.09 1.22 2.04 -1.54 0.39 117.51 120.54 3bxx h ILE 207 Ca 0.00 -0.28 -0.19 0.00 1.00 0.00 0.00 64.86 65.39 3bxx h ILE 207 Cb 0.97 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3bxx h ILE 207 CO 0.00 0.15 -0.95 0.74 0.00 0.00 0.00 178.15 178.09 3bxx h THR 208 N 0.81 1.30 -0.38 -0.27 2.02 -1.53 -3.03 112.91 111.83 3bxx h THR 208 Ca 0.49 -2.40 0.04 0.00 0.77 0.00 0.00 66.41 65.31 3bxx h THR 208 Cb 0.69 2.92 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 3bxx h THR 208 CO -0.26 0.64 0.16 0.00 0.37 0.00 0.00 175.52 176.43 3bxx h ALA 209 N -0.06 0.46 -0.02 6.16 0.00 -0.43 -2.63 119.26 122.74 3bxx h ALA 209 Ca -0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3bxx h ALA 209 Cb 1.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3bxx h ALA 209 CO 0.04 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3bxx n LEU 210 N -4.97 0.16 -0.21 0.00 4.77 0.14 -4.27 117.00 112.62 3bxx n LEU 210 Ca 0.01 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.01 3bxx n LEU 210 Cb 0.12 -0.01 0.37 0.00 -2.33 0.00 0.00 43.42 41.56 3bxx n LEU 210 CO 0.29 0.04 1.22 0.77 -1.33 0.00 0.00 177.39 178.37 3bxx h SER 211 N 0.20 0.64 -0.45 -1.43 4.64 -1.33 0.69 113.55 116.51 3bxx h SER 211 Ca 0.00 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.45 3bxx h SER 211 Cb 0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3bxx h SER 211 CO 0.00 0.39 0.32 -0.65 -0.87 0.00 0.00 176.83 176.02 3bxx h PRO 212 N 0.72 0.07 0.07 4.77 0.11 -1.82 0.79 132.00 136.71 3bxx h PRO 212 Ca 0.36 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.15 3bxx h PRO 212 Cb 0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3bxx h PRO 212 CO -0.13 0.04 -1.69 0.82 -0.21 0.00 0.00 178.00 176.83 3bxx h ILE 213 N 0.07 0.93 -0.01 4.15 2.04 -1.22 -3.34 117.51 120.13 3bxx h ILE 213 Ca 0.21 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3bxx h ILE 213 Cb 0.76 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3bxx h ILE 213 CO -0.02 0.72 -0.55 0.35 0.00 0.00 0.00 178.15 178.65 3bxx n THR 214 N -3.30 0.00 0.00 -0.27 -2.24 -0.72 -4.94 114.28 102.82 3bxx n THR 214 Ca -0.20 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3bxx n THR 214 Cb 1.04 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 3bxx n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bxx n GLY 215 N 1.43 2.25 3.59 3.38 0.00 0.27 -4.97 105.19 111.15 3bxx n GLY 215 Ca 0.08 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.45 3bxx n GLY 215 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bxx n ASN 216 N 0.00 1.14 -0.01 1.61 2.85 -1.25 -4.85 115.26 114.76 3bxx n ASN 216 Ca 0.00 1.12 0.08 0.00 -0.11 0.00 0.00 54.58 55.67 3bxx n ASN 216 Cb 0.00 -0.85 -0.12 0.00 1.24 0.00 0.00 39.78 40.05 3bxx n ASN 216 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3bxx n GLU 217 N 4.10 0.60 -0.33 1.20 1.02 -1.26 -4.14 120.64 121.82 3bxx n GLU 217 Ca 0.32 -0.14 0.23 0.00 -0.02 0.00 0.00 57.16 57.55 3bxx n GLU 217 Cb -0.06 -1.37 0.45 0.00 -0.02 0.00 0.00 31.44 30.44 3bxx n GLU 217 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bxx h ALA 218 N 1.53 1.72 -0.00 0.62 0.00 -2.02 -1.90 119.26 119.20 3bxx h ALA 218 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3bxx h ALA 218 Cb 0.71 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bxx h ALA 218 CO 0.00 -0.74 -0.20 0.72 0.00 0.00 0.00 179.25 179.03 3bxx n HIS 219 N -5.31 0.00 -0.37 0.00 8.25 -1.26 -4.35 115.22 112.17 3bxx n HIS 219 Ca 0.31 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.75 3bxx n HIS 219 Cb 1.02 -0.33 0.12 0.00 1.12 0.00 0.00 29.99 31.92 3bxx n HIS 219 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3bxx h TYR 220 N 0.15 1.26 0.00 4.41 -1.99 -1.52 -2.82 116.97 116.46 3bxx h TYR 220 Ca 0.00 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3bxx h TYR 220 Cb 0.46 -0.42 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 3bxx h TYR 220 CO 0.00 0.78 -0.08 0.66 -0.00 0.00 0.00 178.16 179.51 3bxx h SER 221 N 1.34 0.00 -0.30 3.88 4.64 -1.78 0.32 113.55 121.66 3bxx h SER 221 Ca 0.37 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 3bxx h SER 221 Cb -0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3bxx h SER 221 CO -0.09 0.08 -0.37 0.40 -0.87 0.00 0.00 176.83 175.98 3bxx h ILE 222 N 0.00 1.29 -0.24 0.95 1.08 -1.81 -3.26 117.51 115.52 3bxx h ILE 222 Ca -0.00 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 3bxx h ILE 222 Cb 0.17 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 3bxx h ILE 222 CO 0.01 0.50 0.00 2.30 -0.69 0.00 0.00 178.15 180.27 3bxx n ILE 223 N -4.17 0.31 -0.15 -0.67 -5.35 -1.02 -4.38 119.36 103.94 3bxx n ILE 223 Ca -0.04 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.83 3bxx n ILE 223 Cb 0.53 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.95 3bxx n ILE 223 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3bxx h ARG 224 N 3.04 -0.35 -2.58 6.28 2.43 -0.98 -2.75 114.38 119.46 3bxx h ARG 224 Ca 0.00 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.59 3bxx h ARG 224 Cb 0.67 0.08 -0.42 0.00 -0.42 0.00 0.00 29.97 29.88 3bxx h ARG 224 CO 0.00 -0.23 -0.60 1.04 -1.51 0.00 0.00 179.97 178.66 3bxx n GLN 225 N -5.39 2.13 -2.37 0.20 6.02 -1.26 0.37 117.38 117.08 3bxx n GLN 225 Ca -0.02 -4.53 -0.25 0.00 -0.01 0.00 0.00 57.00 52.19 3bxx n GLN 225 Cb 0.34 -2.23 0.05 0.00 1.02 0.00 0.00 30.24 29.42 3bxx n GLN 225 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3bxx s GLY 226 N -1.95 1.66 -0.11 1.08 0.00 -0.92 -4.60 107.32 102.48 3bxx s GLY 226 Ca 0.33 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 3bxx s GLY 226 CO -0.09 -0.55 0.33 1.20 0.00 0.00 0.00 173.10 173.99 3bxx s GLN 227 N -5.05 0.41 0.17 2.90 1.11 -1.26 -1.70 119.66 116.25 3bxx s GLN 227 Ca 0.57 0.38 -0.02 0.00 0.01 0.00 0.00 55.36 56.30 3bxx s GLN 227 Cb -0.11 0.20 -0.04 0.00 -1.01 0.00 0.00 33.01 32.06 3bxx s GLN 227 CO 0.44 -0.06 0.13 -0.06 0.01 0.00 0.00 175.29 175.74 3bxx s PHE 228 N 0.01 0.96 -0.03 0.91 0.40 0.15 -2.72 117.98 117.66 3bxx s PHE 228 Ca -0.02 -1.25 -0.14 0.00 -0.60 0.00 0.00 56.93 54.92 3bxx s PHE 228 Cb -0.03 -0.46 0.02 0.00 0.51 0.00 0.00 43.02 43.06 3bxx s PHE 228 CO 0.01 -0.61 0.31 0.54 0.70 0.00 0.00 175.22 176.16 3bxx s VAL 229 N -4.10 0.05 0.51 -0.44 0.11 -1.08 -1.43 120.40 114.03 3bxx s VAL 229 Ca 0.31 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.75 3bxx s VAL 229 Cb 0.07 -0.59 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 3bxx s VAL 229 CO 0.07 -0.24 1.01 -2.28 -3.33 0.00 0.00 175.10 170.34 3bxx s HIS 230 N -1.15 3.21 0.22 1.54 2.46 -1.26 -2.05 115.29 118.26 3bxx s HIS 230 Ca -0.12 1.53 0.02 0.00 0.47 0.00 0.00 55.06 56.95 3bxx s HIS 230 Cb -0.05 -2.92 0.20 0.00 -0.13 0.00 0.00 32.58 29.68 3bxx s HIS 230 CO 0.04 -0.62 1.54 1.25 -2.47 0.00 0.00 174.74 174.48 3bxx h LEU 231 N 1.11 0.39 -0.76 8.88 5.85 -1.80 -2.73 115.31 126.25 3bxx h LEU 231 Ca -0.48 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 57.91 3bxx h LEU 231 Cb 1.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3bxx h LEU 231 CO 0.60 0.89 -0.25 -0.78 -0.34 0.00 0.00 178.44 178.56 3bxx h ASP 232 N 0.26 0.68 -0.30 1.25 3.58 -1.92 -1.88 116.42 118.09 3bxx h ASP 232 Ca -0.00 -0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.07 3bxx h ASP 232 Cb 1.10 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 3bxx h ASP 232 CO 0.10 0.91 -0.31 0.44 -2.88 0.00 0.00 179.24 177.50 3bxx h ASP 233 N 0.59 0.78 -0.65 2.28 3.32 -1.95 -2.00 116.42 118.79 3bxx h ASP 233 Ca 0.08 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 3bxx h ASP 233 Cb 0.73 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3bxx h ASP 233 CO 0.06 1.10 0.20 0.25 -1.72 0.00 0.00 179.24 179.13 3bxx h LEU 234 N 0.48 0.95 0.09 1.55 5.85 -1.40 0.32 115.31 123.16 3bxx h LEU 234 Ca 0.05 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3bxx h LEU 234 Cb 0.88 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3bxx h LEU 234 CO 0.08 0.91 -0.04 0.00 -0.34 0.00 0.00 178.44 179.04 3bxx h ASN 236 N -0.44 0.34 -0.09 0.00 -0.26 -1.18 -0.02 115.58 113.92 3bxx h ASN 236 Ca -0.01 0.14 -0.06 0.00 -0.56 0.00 0.00 56.30 55.81 3bxx h ASN 236 Cb 0.37 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 3bxx h ASN 236 CO 0.02 0.05 -0.09 0.00 -1.06 0.00 0.00 177.43 176.35 3bxx h ALA 237 N 1.66 1.39 -0.59 -0.83 0.00 -0.14 1.00 119.26 121.74 3bxx h ALA 237 Ca 0.51 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3bxx h ALA 237 Cb 0.91 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3bxx h ALA 237 CO -0.48 0.42 0.12 0.45 0.00 0.00 0.00 179.25 179.76 3bxx h HIS 238 N 0.37 0.98 0.19 0.00 3.86 -0.04 0.16 115.15 120.67 3bxx h HIS 238 Ca 0.08 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3bxx h HIS 238 Cb 0.39 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3bxx h HIS 238 CO 0.01 0.82 -0.09 0.82 0.86 0.00 0.00 177.93 180.35 3bxx h ILE 239 N 0.89 0.77 -0.63 2.45 2.04 -0.83 -3.08 117.51 119.12 3bxx h ILE 239 Ca 0.19 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.11 3bxx h ILE 239 Cb 0.35 1.28 -0.11 0.00 -0.74 0.00 0.00 36.82 37.60 3bxx h ILE 239 CO 0.00 0.19 -0.41 0.22 0.00 0.00 0.00 178.15 178.16 3bxx h TYR 240 N -0.87 -1.18 0.00 1.37 3.20 -0.63 0.29 116.97 119.14 3bxx h TYR 240 Ca -0.03 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3bxx h TYR 240 Cb 0.51 0.61 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3bxx h TYR 240 CO 0.07 -0.41 0.00 1.28 -1.64 0.00 0.00 178.16 177.46 3bxx n LEU 241 N -5.42 0.00 -0.09 2.82 4.77 0.53 -0.22 117.00 119.40 3bxx n LEU 241 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3bxx n LEU 241 Cb 0.35 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3bxx n LEU 241 CO -0.02 0.00 -1.11 0.33 -1.33 0.00 0.00 177.39 175.25 3bxx n PHE 242 N -0.81 0.00 -0.12 -1.77 7.35 0.90 -4.64 117.46 118.38 3bxx n PHE 242 Ca 0.06 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.63 3bxx n PHE 242 Cb 0.03 -0.68 0.00 0.00 0.35 0.00 0.00 39.48 39.17 3bxx n PHE 242 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3bxx h GLU 243 N -0.29 0.92 -6.47 -4.13 5.08 -0.86 -3.43 114.58 105.38 3bxx h GLU 243 Ca -0.43 -0.45 -0.55 0.00 -1.00 0.00 0.00 59.36 56.93 3bxx h GLU 243 Cb 1.53 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.72 3bxx h GLU 243 CO -0.16 1.10 1.05 1.21 -1.00 0.00 0.00 179.01 181.21 3bxx s ASN 244 N -6.81 6.25 0.48 1.42 3.84 0.70 -4.89 114.94 115.94 3bxx s ASN 244 Ca -0.11 0.20 0.27 0.00 0.21 0.00 0.00 52.86 53.43 3bxx s ASN 244 Cb 0.12 -2.55 1.14 0.00 -0.55 0.00 0.00 41.25 39.41 3bxx s ASN 244 CO 0.87 -1.63 1.92 1.55 -2.79 0.00 0.00 177.10 177.02 3bxx h PRO 245 N 10.44 0.00 -2.11 0.43 0.13 -1.89 -3.21 132.00 135.78 3bxx h PRO 245 Ca -0.26 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.23 3bxx h PRO 245 Cb 1.08 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.00 3bxx h PRO 245 CO 1.18 0.16 0.94 0.36 -0.23 0.00 0.00 178.00 180.42 3bxx n LYS 246 N -3.38 3.12 -4.59 0.86 2.85 -1.26 -4.90 118.16 110.86 3bxx n LYS 246 Ca -0.00 -3.06 -0.27 0.00 -1.05 0.00 0.00 58.31 53.93 3bxx n LYS 246 Cb 0.36 -2.28 -0.17 0.00 -0.65 0.00 0.00 35.03 32.29 3bxx n LYS 246 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3bxx s ALA 247 N -2.55 1.48 0.14 0.58 0.00 -1.22 -5.13 121.76 115.06 3bxx s ALA 247 Ca 0.54 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.96 3bxx s ALA 247 Cb 0.35 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3bxx s ALA 247 CO -0.25 0.06 -0.02 -1.83 0.00 0.00 0.00 175.76 173.72 3bxx s GLU 248 N 0.76 1.00 3.09 0.00 4.04 -1.26 -4.94 118.70 121.39 3bxx s GLU 248 Ca -0.12 -1.46 0.00 0.00 0.04 0.00 0.00 54.97 53.43 3bxx s GLU 248 Cb -0.16 -0.22 0.00 0.00 0.02 0.00 0.00 34.13 33.78 3bxx s GLU 248 CO 0.02 -0.10 0.00 0.41 -1.84 0.00 0.00 175.26 173.76 3bxx n GLY 249 N -0.16 0.34 3.93 -3.83 0.00 -1.26 -4.85 105.19 99.36 3bxx n GLY 249 Ca -0.08 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3bxx n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bxx s ARG 250 N 0.00 3.35 -0.03 1.61 0.52 -1.26 -3.15 118.95 119.99 3bxx s ARG 250 Ca 0.00 -0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 3bxx s ARG 250 Cb 0.00 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 33.00 3bxx s ARG 250 CO 0.00 -0.16 0.05 0.71 0.02 0.00 0.00 175.30 175.93 3bxx s TYR 251 N -2.59 0.03 0.62 -0.53 1.51 -0.77 -4.89 117.35 110.74 3bxx s TYR 251 Ca 0.46 0.22 -0.15 0.00 -1.01 0.00 0.00 57.07 56.58 3bxx s TYR 251 Cb -0.10 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 3bxx s TYR 251 CO 0.40 -0.15 1.08 0.42 -1.11 0.00 0.00 175.55 176.19 3bxx s ILE 252 N 1.66 3.61 -0.41 2.71 1.01 -1.26 0.98 121.20 129.49 3bxx s ILE 252 Ca -0.02 0.74 0.09 0.00 0.00 0.00 0.00 60.65 61.47 3bxx s ILE 252 Cb -0.12 -3.28 0.32 0.00 0.01 0.00 0.00 42.46 39.39 3bxx s ILE 252 CO -0.03 -0.47 0.85 0.00 0.00 0.00 0.00 174.94 175.28 3bxx s SER 254 N -1.89 4.58 -0.08 0.00 0.15 -1.26 -4.01 113.70 111.18 3bxx s SER 254 Ca 0.33 -0.23 0.19 0.00 0.70 0.00 0.00 55.95 56.94 3bxx s SER 254 Cb 0.31 -1.75 -0.28 0.00 -1.71 0.00 0.00 66.02 62.58 3bxx s SER 254 CO -0.08 0.11 0.31 -1.54 1.20 0.00 0.00 173.24 173.24 3bxx n SER 255 N 3.90 0.46 -4.16 5.45 3.41 -0.51 -4.27 113.62 117.90 3bxx n SER 255 Ca -0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 3bxx n SER 255 Cb 0.52 1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 65.94 3bxx n SER 255 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3bxx s HIS 256 N -3.05 0.92 -0.24 7.33 3.76 -0.83 -4.99 115.29 118.19 3bxx s HIS 256 Ca -0.08 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 53.99 3bxx s HIS 256 Cb 0.10 -0.52 0.13 0.00 1.11 0.00 0.00 32.58 33.41 3bxx s HIS 256 CO 0.80 -0.10 0.41 0.16 -0.85 0.00 0.00 174.74 175.16 3bxx s ASP 257 N -2.76 -0.02 0.07 1.40 -4.77 -1.26 -0.67 116.67 108.64 3bxx s ASP 257 Ca 0.08 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.75 3bxx s ASP 257 Cb 0.02 1.28 -0.04 0.00 -1.09 0.00 0.00 42.92 43.09 3bxx s ASP 257 CO -0.03 -0.29 -0.05 0.00 0.70 0.00 0.00 175.17 175.51 3bxx s ILE 259 N -3.50 1.77 0.09 0.00 -4.36 -1.26 -2.16 121.20 111.78 3bxx s ILE 259 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.25 3bxx s ILE 259 Cb 0.05 -2.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.19 3bxx s ILE 259 CO -0.07 0.00 1.64 -0.29 0.24 0.00 0.00 174.94 176.46 3bxx h ILE 260 N -2.32 1.15 -0.90 8.37 2.10 -0.08 -2.88 117.51 122.95 3bxx h ILE 260 Ca -0.50 -0.46 0.09 0.00 1.08 0.00 0.00 64.86 65.07 3bxx h ILE 260 Cb 1.31 1.12 -0.11 0.00 -1.09 0.00 0.00 36.82 38.05 3bxx h ILE 260 CO 0.44 0.15 -0.52 0.18 -1.08 0.00 0.00 178.15 177.32 3bxx n LEU 261 N -4.85 -0.93 0.15 2.19 4.32 -1.26 -1.34 117.00 115.28 3bxx n LEU 261 Ca -0.04 1.61 -0.13 0.00 -0.02 0.00 0.00 56.01 57.42 3bxx n LEU 261 Cb 0.12 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 3bxx n LEU 261 CO 0.35 -1.32 0.71 0.44 -1.22 0.00 0.00 177.39 176.35 3bxx h ASP 262 N 0.00 -0.64 -0.96 -1.43 5.19 -1.92 0.63 116.42 117.29 3bxx h ASP 262 Ca 0.16 0.06 0.17 0.00 -0.62 0.00 0.00 57.03 56.81 3bxx h ASP 262 Cb 0.38 0.23 -0.10 0.00 0.18 0.00 0.00 39.33 40.02 3bxx h ASP 262 CO -0.85 -0.34 0.56 0.25 -3.12 0.00 0.00 179.24 175.73 3bxx h LEU 263 N -0.48 0.71 0.81 1.55 5.85 -1.39 -1.47 115.31 120.89 3bxx h LEU 263 Ca 0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3bxx h LEU 263 Cb 0.47 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.48 3bxx h LEU 263 CO -0.08 0.26 -0.39 0.00 -0.34 0.00 0.00 178.44 177.90 3bxx h ALA 264 N 1.62 -1.08 -0.96 1.25 0.00 0.13 -2.68 119.26 117.54 3bxx h ALA 264 Ca 0.54 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.44 3bxx h ALA 264 Cb 0.81 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3bxx h ALA 264 CO -0.38 -1.05 -0.09 -0.22 0.00 0.00 0.00 179.25 177.52 3bxx h LYS 265 N -1.21 0.01 -0.65 0.00 3.64 0.59 0.72 116.57 119.68 3bxx h LYS 265 Ca -0.11 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3bxx h LYS 265 Cb 0.84 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3bxx h LYS 265 CO 0.18 0.01 0.41 1.98 -2.27 0.00 0.00 179.45 179.76 3bxx h MET 266 N 0.01 0.78 0.00 1.90 4.05 -1.20 -2.63 114.93 117.84 3bxx h MET 266 Ca 0.53 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.74 3bxx h MET 266 Cb 0.97 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3bxx h MET 266 CO -0.93 0.51 -0.76 -0.07 0.23 0.00 0.00 176.91 175.89 3bxx h LEU 267 N 0.80 0.00 -0.37 3.39 3.38 0.61 -1.65 115.31 121.46 3bxx h LEU 267 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3bxx h LEU 267 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bxx h LEU 267 CO -0.10 0.76 -0.10 -0.09 0.09 0.00 0.00 178.44 179.00 3bxx h ARG 268 N 0.00 0.73 -0.16 1.13 2.43 -0.30 0.14 114.38 118.35 3bxx h ARG 268 Ca -0.01 -0.28 -0.16 0.00 -0.81 0.00 0.00 59.98 58.72 3bxx h ARG 268 Cb 1.49 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.00 3bxx h ARG 268 CO 0.10 0.88 -0.52 0.93 -1.51 0.00 0.00 179.97 179.84 3bxx h GLU 269 N 0.53 0.64 -0.18 0.20 5.08 -1.52 -3.14 114.58 116.18 3bxx h GLU 269 Ca 0.09 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 3bxx h GLU 269 Cb 0.61 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3bxx h GLU 269 CO 0.04 1.09 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.49 3bxx h LYS 270 N 0.31 0.43 -2.59 2.33 3.64 -1.25 -3.39 116.57 116.04 3bxx h LYS 270 Ca -0.02 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.54 3bxx h LYS 270 Cb 1.15 0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.58 3bxx h LYS 270 CO 0.11 0.78 -0.81 0.66 -2.27 0.00 0.00 179.45 177.92 3bxx n TYR 271 N -4.01 0.97 0.03 1.91 4.01 0.49 -4.98 117.16 115.58 3bxx n TYR 271 Ca -0.02 -3.76 -0.03 0.00 -0.16 0.00 0.00 57.90 53.94 3bxx n TYR 271 Cb 0.52 -0.17 0.22 0.00 -0.31 0.00 0.00 39.34 39.60 3bxx n TYR 271 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3bxx h PRO 272 N 5.32 0.43 0.00 -0.72 0.13 -1.75 -3.07 132.00 132.34 3bxx h PRO 272 Ca 0.21 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3bxx h PRO 272 Cb 0.83 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3bxx h PRO 272 CO 0.54 0.66 0.14 -0.85 -0.23 0.00 0.00 178.00 178.26 3bxx n GLU 273 N -4.12 0.00 -3.74 0.86 0.00 -1.26 -4.38 120.64 108.00 3bxx n GLU 273 Ca -0.01 0.37 -0.37 0.00 0.00 0.00 0.00 57.16 57.16 3bxx n GLU 273 Cb 0.40 -1.65 -0.12 0.00 0.00 0.00 0.00 31.44 30.07 3bxx n GLU 273 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3bxx s TYR 274 N -2.75 3.11 -1.04 -1.84 2.02 -1.16 -1.39 117.35 114.29 3bxx s TYR 274 Ca -0.00 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.14 3bxx s TYR 274 Cb 0.00 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3bxx s TYR 274 CO 0.00 -0.31 1.88 0.54 -1.57 0.00 0.00 175.55 176.09 3bxx s ASN 275 N 1.60 5.36 -0.15 2.29 6.03 -1.26 -4.95 114.94 123.86 3bxx s ASN 275 Ca 0.06 -1.23 -0.09 0.00 -1.03 0.00 0.00 52.86 50.58 3bxx s ASN 275 Cb -0.15 -2.57 -0.04 0.00 -3.03 0.00 0.00 41.25 35.45 3bxx s ASN 275 CO 0.05 -2.63 0.15 -0.63 -2.03 0.00 0.00 177.10 172.01 3bxx s ILE 276 N 9.49 5.44 0.29 0.54 1.01 -1.26 -5.01 121.20 131.70 3bxx s ILE 276 Ca 0.66 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 3bxx s ILE 276 Cb -0.03 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3bxx s ILE 276 CO 0.04 0.54 1.20 -2.16 0.00 0.00 0.00 174.94 174.56 3bxx s PRO 277 N -0.44 4.51 0.05 2.79 0.04 -1.26 -4.95 135.00 135.74 3bxx s PRO 277 Ca 0.13 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.40 3bxx s PRO 277 Cb -0.12 -3.14 0.31 0.00 0.04 0.00 0.00 34.50 31.59 3bxx s PRO 277 CO 0.02 0.01 1.27 0.25 0.04 0.00 0.00 177.00 178.59 3bxx n THR 278 N 1.14 0.16 -4.30 1.26 -2.24 -1.26 -4.83 114.28 104.21 3bxx n THR 278 Ca -0.00 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 3bxx n THR 278 Cb 0.43 0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.68 3bxx n THR 278 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bxx s GLU 279 N -3.11 1.18 -0.01 -0.78 0.41 -1.26 -5.04 118.70 110.09 3bxx s GLU 279 Ca 0.07 -1.24 0.01 0.00 -0.41 0.00 0.00 54.97 53.40 3bxx s GLU 279 Cb 0.15 -1.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.11 3bxx s GLU 279 CO 0.74 0.31 -0.04 -0.06 -0.49 0.00 0.00 175.26 175.73 3bxx s PHE 280 N -1.42 0.38 0.44 1.61 0.40 -1.26 -5.11 117.98 113.02 3bxx s PHE 280 Ca 0.09 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.11 3bxx s PHE 280 Cb -0.09 -0.28 -0.08 0.00 0.51 0.00 0.00 43.02 43.08 3bxx s PHE 280 CO 0.05 -0.03 1.35 0.21 0.70 0.00 0.00 175.22 177.50 3bxx s LYS 281 N 0.11 3.78 0.00 0.44 2.20 -1.26 -2.14 119.74 122.88 3bxx s LYS 281 Ca -0.01 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 3bxx s LYS 281 Cb -0.04 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 3bxx s LYS 281 CO -0.00 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 3bxx n GLY 282 N 0.63 0.20 3.44 5.54 0.00 -1.26 -4.93 105.19 108.81 3bxx n GLY 282 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3bxx n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bxx s VAL 283 N -1.61 4.57 0.30 1.61 1.01 -0.91 -5.06 120.40 120.32 3bxx s VAL 283 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3bxx s VAL 283 Cb 0.00 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 33.12 3bxx s VAL 283 CO 0.00 0.08 0.41 -0.67 0.00 0.00 0.00 175.10 174.92 3bxx n ASP 284 N 4.98 0.06 -0.35 3.32 -0.08 -1.26 -4.66 116.55 118.55 3bxx n ASP 284 Ca -0.14 -1.17 0.04 0.00 -1.51 0.00 0.00 54.79 52.02 3bxx n ASP 284 Cb 0.49 -0.31 0.04 0.00 2.34 0.00 0.00 41.12 43.68 3bxx n ASP 284 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3bxx n GLU 285 N -1.87 0.36 -0.02 -0.67 2.13 -1.26 -4.49 120.64 114.82 3bxx n GLU 285 Ca 0.05 -1.07 0.12 0.00 0.66 0.00 0.00 57.16 56.93 3bxx n GLU 285 Cb 0.18 -1.17 0.18 0.00 0.27 0.00 0.00 31.44 30.90 3bxx n GLU 285 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3bxx n ASN 286 N 0.47 2.79 -4.69 4.31 3.02 -1.26 -4.93 115.26 114.97 3bxx n ASN 286 Ca 0.05 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.26 3bxx n ASN 286 Cb 0.22 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3bxx n ASN 286 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3bxx s LEU 287 N -1.96 4.34 0.35 3.41 2.96 -1.26 -4.96 118.68 121.56 3bxx s LEU 287 Ca 0.30 2.30 -0.17 0.00 -0.22 0.00 0.00 54.13 56.35 3bxx s LEU 287 Cb 0.20 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.23 3bxx s LEU 287 CO 0.31 -0.78 0.80 -0.75 -1.32 0.00 0.00 176.35 174.61 3bxx s LYS 288 N 2.25 4.09 0.61 1.98 2.36 -1.26 -4.96 119.74 124.82 3bxx s LYS 288 Ca 0.68 0.82 -0.16 0.00 -2.55 0.00 0.00 55.97 54.76 3bxx s LYS 288 Cb -0.36 -2.39 -0.03 0.00 -1.05 0.00 0.00 37.83 34.00 3bxx s LYS 288 CO 0.29 0.12 1.07 0.45 1.55 0.00 0.00 175.35 178.84 3bxx s SER 289 N -2.20 5.61 -0.04 1.43 0.15 -1.26 -4.93 113.70 112.45 3bxx s SER 289 Ca 0.56 1.88 0.01 0.00 0.70 0.00 0.00 55.95 59.10 3bxx s SER 289 Cb -0.10 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3bxx s SER 289 CO 0.16 -1.29 -0.05 -0.69 1.20 0.00 0.00 173.24 172.57 3bxx s VAL 290 N -2.40 3.81 -0.13 4.45 1.01 -1.26 -4.86 120.40 121.02 3bxx s VAL 290 Ca 0.65 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3bxx s VAL 290 Cb -0.17 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3bxx s VAL 290 CO 0.38 0.52 -0.22 0.00 0.00 0.00 0.00 175.10 175.77 3bxx s PHE 292 N 0.66 3.23 -0.18 0.00 0.40 -1.26 -0.81 117.98 120.02 3bxx s PHE 292 Ca -0.11 0.27 -0.26 0.00 -0.60 0.00 0.00 56.93 56.23 3bxx s PHE 292 Cb -0.16 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 3bxx s PHE 292 CO 0.02 -0.32 0.88 0.45 0.70 0.00 0.00 175.22 176.95 3bxx s SER 293 N 1.68 6.99 0.00 1.36 0.15 -0.54 -4.57 113.70 118.77 3bxx s SER 293 Ca 0.14 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.24 3bxx s SER 293 Cb -0.16 -2.48 0.70 0.00 -1.71 0.00 0.00 66.02 62.37 3bxx s SER 293 CO 0.11 -0.47 1.53 -1.20 1.20 0.00 0.00 173.24 174.41 3bxx n SER 294 N 5.50 2.08 -0.36 5.45 7.64 -1.26 -4.66 113.62 128.01 3bxx n SER 294 Ca 0.06 -1.75 -0.03 0.00 1.01 0.00 0.00 58.87 58.17 3bxx n SER 294 Cb 0.48 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 3bxx n SER 294 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3bxx n LYS 295 N 0.60 -0.26 -0.26 1.43 4.81 -1.26 -0.51 118.16 122.72 3bxx n LYS 295 Ca 0.17 1.42 0.07 0.00 -0.87 0.00 0.00 58.31 59.10 3bxx n LYS 295 Cb 0.41 -2.11 0.19 0.00 0.02 0.00 0.00 35.03 33.54 3bxx n LYS 295 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3bxx h LYS 296 N 0.00 0.23 -0.56 1.64 3.64 -1.96 0.21 116.57 119.77 3bxx h LYS 296 Ca 0.29 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3bxx h LYS 296 Cb 0.52 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3bxx h LYS 296 CO -0.91 0.15 0.01 1.25 -2.27 0.00 0.00 179.45 177.67 3bxx h LEU 297 N 0.23 0.96 -0.13 5.20 5.85 -1.10 -3.06 115.31 123.26 3bxx h LEU 297 Ca 0.44 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3bxx h LEU 297 Cb 0.77 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3bxx h LEU 297 CO -0.55 1.03 0.00 0.71 -0.34 0.00 0.00 178.44 179.29 3bxx h THR 298 N 0.87 0.00 0.00 1.05 1.35 -0.68 -3.04 112.91 112.46 3bxx h THR 298 Ca 0.16 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3bxx h THR 298 Cb 0.53 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3bxx h THR 298 CO 0.03 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.77 3bxx n ASP 299 N -2.75 0.60 -0.17 5.36 9.92 0.63 -1.87 116.55 128.27 3bxx n ASP 299 Ca 0.04 0.72 0.08 0.00 -0.53 0.00 0.00 54.79 55.10 3bxx n ASP 299 Cb 0.46 -0.82 -0.06 0.00 -0.64 0.00 0.00 41.12 40.07 3bxx n ASP 299 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3bxx n LEU 300 N -2.24 1.20 0.00 0.64 4.77 -1.15 -4.99 117.00 115.23 3bxx n LEU 300 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3bxx n LEU 300 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3bxx n LEU 300 CO 0.14 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3bxx n GLY 301 N 1.34 2.23 3.68 -0.72 0.00 -0.78 -5.07 105.19 105.87 3bxx n GLY 301 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3bxx n GLY 301 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bxx n PHE 302 N -0.26 2.13 -5.08 1.61 7.35 -1.24 -4.99 117.46 116.97 3bxx n PHE 302 Ca 0.00 0.57 -0.29 0.00 -0.76 0.00 0.00 57.45 56.96 3bxx n PHE 302 Cb 0.00 -2.39 -0.16 0.00 0.35 0.00 0.00 39.48 37.27 3bxx n PHE 302 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3bxx s GLU 303 N -1.72 2.35 -0.36 -4.13 2.02 -1.26 -4.46 118.70 111.14 3bxx s GLU 303 Ca 0.57 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 3bxx s GLU 303 Cb -0.59 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 31.71 3bxx s GLU 303 CO 0.61 0.28 1.10 -0.06 0.02 0.00 0.00 175.26 177.21 3bxx s PHE 304 N 0.04 3.05 -2.54 1.61 0.08 -1.26 -4.94 117.98 114.03 3bxx s PHE 304 Ca -0.07 1.07 0.24 0.00 0.12 0.00 0.00 56.93 58.29 3bxx s PHE 304 Cb -0.14 -3.89 0.68 0.00 -0.57 0.00 0.00 43.02 39.10 3bxx s PHE 304 CO 0.04 -0.93 1.53 1.63 -0.10 0.00 0.00 175.22 177.39 3bxx n LYS 305 N 7.13 1.96 -4.16 0.44 4.76 -1.26 -4.97 118.16 122.06 3bxx n LYS 305 Ca 0.12 -1.42 -0.14 0.00 -2.87 0.00 0.00 58.31 54.00 3bxx n LYS 305 Cb 0.48 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 3bxx n LYS 305 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3bxx s TYR 306 N -1.86 1.00 0.41 2.13 2.02 -1.26 -5.15 117.35 114.65 3bxx s TYR 306 Ca 0.34 -0.65 0.08 0.00 -0.37 0.00 0.00 57.07 56.47 3bxx s TYR 306 Cb 0.20 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3bxx s TYR 306 CO 0.30 -0.02 0.34 -1.54 -1.57 0.00 0.00 175.55 173.06 3bxx s SER 307 N -2.37 4.95 0.35 2.29 1.04 -1.26 -4.92 113.70 113.79 3bxx s SER 307 Ca 0.04 -0.79 0.12 0.00 0.48 0.00 0.00 55.95 55.79 3bxx s SER 307 Cb -0.03 -0.57 0.91 0.00 0.10 0.00 0.00 66.02 66.43 3bxx s SER 307 CO -0.00 -0.62 1.78 0.25 0.98 0.00 0.00 173.24 175.62 3bxx h LEU 308 N 1.10 0.62 -0.19 2.42 5.85 -1.98 -2.04 115.31 121.09 3bxx h LEU 308 Ca -0.42 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3bxx h LEU 308 Cb 1.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3bxx h LEU 308 CO 0.59 0.18 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.39 3bxx h GLU 309 N 0.58 0.43 -0.10 1.25 3.07 -2.00 -2.78 114.58 115.03 3bxx h GLU 309 Ca 0.58 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 59.27 3bxx h GLU 309 Cb 1.16 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.02 3bxx h GLU 309 CO -0.35 0.77 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.30 3bxx h ASP 310 N 0.10 -0.91 -0.15 1.42 3.32 -1.84 -0.13 116.42 118.22 3bxx h ASP 310 Ca 0.03 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.24 3bxx h ASP 310 Cb 0.67 0.39 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3bxx h ASP 310 CO 0.04 -0.34 -0.22 0.24 -1.72 0.00 0.00 179.24 177.23 3bxx h MET 311 N -0.39 -0.16 -0.07 3.56 2.86 -1.24 0.23 114.93 119.73 3bxx h MET 311 Ca 0.09 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3bxx h MET 311 Cb 0.52 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3bxx h MET 311 CO -0.32 -0.11 -0.27 0.74 1.06 0.00 0.00 176.91 178.02 3bxx h PHE 312 N -0.17 0.13 -0.09 -0.22 -1.00 -1.37 0.08 116.94 114.31 3bxx h PHE 312 Ca 0.03 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 3bxx h PHE 312 Cb 0.24 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 3bxx h PHE 312 CO -0.63 0.38 -0.35 1.79 -1.61 0.00 0.00 178.31 177.89 3bxx h THR 313 N 0.11 1.28 -0.18 -1.55 1.35 -0.16 -0.93 112.91 112.83 3bxx h THR 313 Ca 0.02 -1.34 -0.10 0.00 -0.55 0.00 0.00 66.41 64.44 3bxx h THR 313 Cb 0.54 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3bxx h THR 313 CO 0.04 0.40 -0.34 1.23 -0.25 0.00 0.00 175.52 176.60 3bxx h GLY 314 N 1.12 0.40 0.19 5.82 0.00 0.14 -1.47 103.07 109.27 3bxx h GLY 314 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3bxx h GLY 314 CO 0.05 0.32 -0.06 0.00 0.00 0.00 0.00 176.54 176.86 3bxx h ALA 315 N 1.33 -0.16 0.27 3.60 0.00 -1.14 -2.17 119.26 120.98 3bxx h ALA 315 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3bxx h ALA 315 Cb 0.75 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3bxx h ALA 315 CO 0.06 -0.19 -0.21 0.28 0.00 0.00 0.00 179.25 179.19 3bxx h VAL 316 N -0.98 0.54 -0.70 0.00 2.07 -1.26 -0.90 116.25 115.03 3bxx h VAL 316 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 3bxx h VAL 316 Cb 0.42 0.54 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 3bxx h VAL 316 CO 0.03 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.97 3bxx h ASP 317 N -0.49 -0.50 -0.15 0.57 3.32 -1.37 0.23 116.42 118.03 3bxx h ASP 317 Ca -0.01 0.20 -0.22 0.00 0.02 0.00 0.00 57.03 57.01 3bxx h ASP 317 Cb 0.44 0.38 0.01 0.00 0.22 0.00 0.00 39.33 40.38 3bxx h ASP 317 CO -0.02 -0.20 -0.76 0.74 -1.72 0.00 0.00 179.24 177.28 3bxx h THR 318 N 0.05 1.28 0.17 0.35 2.02 -1.07 -2.46 112.91 113.23 3bxx h THR 318 Ca 0.36 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.58 3bxx h THR 318 Cb 0.58 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3bxx h THR 318 CO -0.67 0.62 -0.12 0.00 0.37 0.00 0.00 175.52 175.72 3bxx h ARG 320 N -0.29 -0.46 -0.94 0.00 3.08 -0.58 -0.53 114.38 114.66 3bxx h ARG 320 Ca -0.01 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.26 3bxx h ARG 320 Cb 0.25 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 3bxx h ARG 320 CO 0.00 -0.31 0.52 0.00 -1.07 0.00 0.00 179.97 179.12 3bxx h ALA 321 N 0.20 1.54 -0.35 0.04 0.00 -1.33 -1.59 119.26 117.77 3bxx h ALA 321 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bxx h ALA 321 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bxx h ALA 321 CO -0.34 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.40 3bxx n LYS 322 N -4.86 2.00 -1.33 0.00 5.02 -0.21 -4.88 118.16 113.91 3bxx n LYS 322 Ca 0.22 -1.54 -0.06 0.00 -2.02 0.00 0.00 58.31 54.91 3bxx n LYS 322 Cb 0.57 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 3bxx n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bxx n GLY 323 N 1.23 0.73 0.08 0.72 0.00 -0.60 -4.92 105.19 102.44 3bxx n GLY 323 Ca 0.16 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 3bxx n GLY 323 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bxx h LEU 324 N 0.00 0.00 -8.99 0.99 3.38 -1.33 -3.47 115.31 105.90 3bxx h LEU 324 Ca -0.13 -0.47 -0.64 0.00 0.09 0.00 0.00 57.88 56.73 3bxx h LEU 324 Cb 0.51 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.07 3bxx h LEU 324 CO 0.18 1.12 -0.64 -0.22 0.09 0.00 0.00 178.44 178.96 3bxx s LEU 325 N -8.10 3.40 0.75 1.67 0.20 -1.17 -4.99 118.68 110.44 3bxx s LEU 325 Ca -0.20 -0.04 -0.16 0.00 0.69 0.00 0.00 54.13 54.42 3bxx s LEU 325 Cb 0.02 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 3bxx s LEU 325 CO 0.47 0.22 0.52 -2.65 -0.29 0.00 0.00 176.35 174.63 3bxx n PRO 326 N 3.18 0.22 0.06 0.98 -0.02 -1.26 -4.10 135.00 134.06 3bxx n PRO 326 Ca -0.17 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 3bxx n PRO 326 Cb 0.53 -1.84 0.35 0.00 -0.02 0.00 0.00 33.50 32.51 3bxx n PRO 326 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3bxx n PRO 327 N -0.88 0.08 0.00 0.52 -0.02 -1.26 -4.90 135.00 128.54 3bxx n PRO 327 Ca 0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3bxx n PRO 327 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3bxx n PRO 327 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3bxx n SER 328 N -1.83 0.00 -0.67 2.55 3.41 -1.26 -4.93 113.62 110.89 3bxx n SER 328 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 3bxx n SER 328 Cb 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.15 3bxx n SER 328 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29