#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 2.02 0.21 3.84 2.01 -1.26 -1.20 115.64 121.26 3bxx s THR 7 Ca 0.00 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.06 3bxx s THR 7 Cb 0.00 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 3bxx s THR 7 CO 0.00 0.55 -0.12 0.68 -0.69 0.00 0.00 174.62 175.04 3bxx s VAL 8 N 0.23 1.64 0.12 3.82 -7.23 0.33 -0.83 120.40 118.48 3bxx s VAL 8 Ca -0.15 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 57.88 3bxx s VAL 8 Cb -0.17 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3bxx s VAL 8 CO 0.07 -0.56 0.11 0.00 -0.31 0.00 0.00 175.10 174.41 3bxx s VAL 10 N -1.55 -0.27 -0.09 0.00 1.01 -1.03 -1.52 120.40 116.94 3bxx s VAL 10 Ca 0.30 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 3bxx s VAL 10 Cb -0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3bxx s VAL 10 CO 0.23 -0.15 0.82 0.42 0.00 0.00 0.00 175.10 176.41 3bxx s THR 11 N 2.29 4.94 -0.74 3.92 -4.23 -0.98 -0.99 115.64 119.84 3bxx s THR 11 Ca 0.05 1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 62.21 3bxx s THR 11 Cb -0.15 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.52 3bxx s THR 11 CO -0.10 0.14 0.64 0.61 -0.54 0.00 0.00 174.62 175.37 3bxx n GLY 12 N 3.19 -0.32 0.20 3.99 0.00 -0.93 -0.74 105.19 110.59 3bxx n GLY 12 Ca 0.03 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3bxx n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx h ALA 13 N 0.22 1.00 0.00 4.61 0.00 -1.40 -3.15 119.26 120.55 3bxx h ALA 13 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3bxx h ALA 13 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bxx h ALA 13 CO 0.31 0.00 -0.38 -1.13 0.00 0.00 0.00 179.25 178.05 3bxx n SER 14 N -2.53 0.63 -4.30 0.00 3.41 -1.26 -1.32 113.62 108.25 3bxx n SER 14 Ca 0.00 0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 3bxx n SER 14 Cb 0.16 -0.15 0.18 0.00 -0.26 0.00 0.00 64.21 64.14 3bxx n SER 14 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bxx s GLY 15 N -3.48 1.65 0.12 5.00 0.00 -1.19 -4.76 107.32 104.66 3bxx s GLY 15 Ca 0.09 -0.88 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 3bxx s GLY 15 CO 0.67 -0.16 1.61 -2.75 0.00 0.00 0.00 173.10 172.46 3bxx h PHE 16 N -1.82 -0.90 0.27 1.90 3.57 -1.90 0.14 116.94 118.20 3bxx h PHE 16 Ca -0.47 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3bxx h PHE 16 Cb 1.29 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.42 3bxx h PHE 16 CO -0.86 -0.43 -0.13 0.82 -2.23 0.00 0.00 178.31 175.48 3bxx h ILE 17 N -0.51 0.00 -0.87 1.41 2.04 -1.94 -3.28 117.51 114.37 3bxx h ILE 17 Ca 0.05 -0.53 0.15 0.00 1.00 0.00 0.00 64.86 65.53 3bxx h ILE 17 Cb 0.57 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.50 3bxx h ILE 17 CO -0.24 0.00 -0.33 1.23 0.00 0.00 0.00 178.15 178.80 3bxx h GLY 18 N -0.89 0.18 0.96 5.37 0.00 -1.77 -1.63 103.07 105.29 3bxx h GLY 18 Ca -0.04 0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3bxx h GLY 18 CO 0.06 -0.24 0.01 1.48 0.00 0.00 0.00 176.54 177.85 3bxx h SER 19 N -0.04 0.03 -0.16 0.19 4.64 0.37 -0.57 113.55 118.01 3bxx h SER 19 Ca 0.34 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.53 3bxx h SER 19 Cb 0.60 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3bxx h SER 19 CO -0.89 0.06 -0.17 -0.25 -0.87 0.00 0.00 176.83 174.71 3bxx h TRP 20 N -0.01 0.62 -0.82 4.77 2.91 -1.48 -0.14 115.95 121.80 3bxx h TRP 20 Ca 0.01 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 59.91 3bxx h TRP 20 Cb 0.04 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.49 3bxx h TRP 20 CO -0.06 0.71 0.48 1.25 -1.03 0.00 0.00 178.44 179.78 3bxx h LEU 21 N 0.51 0.99 -0.28 0.65 5.85 -1.20 -1.60 115.31 120.24 3bxx h LEU 21 Ca 0.09 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3bxx h LEU 21 Cb 0.58 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3bxx h LEU 21 CO 0.04 0.77 -0.22 0.58 -0.34 0.00 0.00 178.44 179.27 3bxx h VAL 22 N 1.13 1.30 -0.92 1.05 2.07 0.11 -0.48 116.25 120.52 3bxx h VAL 22 Ca 0.29 -1.37 0.17 0.00 0.82 0.00 0.00 66.70 66.62 3bxx h VAL 22 Cb -0.02 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 3bxx h VAL 22 CO -0.05 0.43 0.59 -0.03 0.02 0.00 0.00 177.57 178.53 3bxx h MET 23 N 0.37 0.61 0.09 1.57 1.85 -0.99 -2.25 114.93 116.18 3bxx h MET 23 Ca 0.05 -0.04 -0.19 0.00 -0.61 0.00 0.00 59.70 58.91 3bxx h MET 23 Cb 0.77 -0.14 0.02 0.00 0.43 0.00 0.00 31.60 32.68 3bxx h MET 23 CO 0.06 0.40 -0.81 0.00 -0.40 0.00 0.00 176.91 176.16 3bxx h ARG 24 N 0.63 0.39 -0.74 0.39 2.47 -1.05 -3.08 114.38 113.38 3bxx h ARG 24 Ca 0.48 -0.54 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3bxx h ARG 24 Cb 0.89 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 3bxx h ARG 24 CO -0.23 1.22 0.29 -0.07 0.56 0.00 0.00 179.97 181.73 3bxx h LEU 25 N -0.18 1.01 0.11 3.04 3.38 -0.91 -2.11 115.31 119.66 3bxx h LEU 25 Ca -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3bxx h LEU 25 Cb 1.58 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3bxx h LEU 25 CO 0.16 0.91 -0.05 -0.07 0.09 0.00 0.00 178.44 179.47 3bxx h LEU 26 N 1.07 -0.13 -1.96 1.67 3.38 -1.52 -0.42 115.31 117.40 3bxx h LEU 26 Ca 0.25 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.32 3bxx h LEU 26 Cb 0.21 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3bxx h LEU 26 CO -0.02 -0.00 0.46 -0.33 0.09 0.00 0.00 178.44 178.64 3bxx h GLU 27 N -0.25 0.04 -0.01 1.13 5.08 -1.43 -1.68 114.58 117.46 3bxx h GLU 27 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3bxx h GLU 27 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3bxx h GLU 27 CO 0.03 0.02 -0.36 -2.13 -1.00 0.00 0.00 179.01 175.57 3bxx n ARG 28 N -4.36 0.81 0.00 2.33 0.63 -0.81 -4.94 116.66 110.31 3bxx n ARG 28 Ca 0.12 -0.54 0.00 0.00 -0.92 0.00 0.00 57.85 56.52 3bxx n ARG 28 Cb 0.69 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 32.11 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 1.38 1.63 3.80 5.14 0.00 -0.63 -5.08 105.19 111.42 3bxx n GLY 29 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.97 2.79 -0.23 1.61 1.51 -0.19 -4.59 117.35 116.27 3bxx s TYR 30 Ca 0.00 1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 57.19 3bxx s TYR 30 Cb 0.00 -3.13 0.01 0.00 -0.11 0.00 0.00 41.96 38.73 3bxx s TYR 30 CO 0.00 -1.83 -0.05 0.99 -1.11 0.00 0.00 175.55 173.55 3bxx s THR 31 N -3.14 3.11 -0.18 -0.71 2.01 -0.34 -4.33 115.64 112.06 3bxx s THR 31 Ca 0.61 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 3bxx s THR 31 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3bxx s THR 31 CO 0.54 0.31 -0.00 -0.69 -0.69 0.00 0.00 174.62 174.09 3bxx s VAL 32 N 1.40 4.09 -0.91 3.82 1.01 0.45 -0.51 120.40 129.75 3bxx s VAL 32 Ca 0.03 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3bxx s VAL 32 Cb -0.15 -2.83 0.17 0.00 0.00 0.00 0.00 36.38 33.56 3bxx s VAL 32 CO -0.04 0.45 1.01 -0.13 0.00 0.00 0.00 175.10 176.39 3bxx s ARG 33 N 0.67 3.64 0.10 2.72 0.52 0.12 -2.05 118.95 124.68 3bxx s ARG 33 Ca -0.00 -2.09 -0.30 0.00 -0.52 0.00 0.00 55.73 52.81 3bxx s ARG 33 Cb -0.14 -4.74 -0.06 0.00 0.52 0.00 0.00 34.95 30.53 3bxx s ARG 33 CO 0.02 -1.58 1.20 0.00 0.02 0.00 0.00 175.30 174.96 3bxx s ALA 34 N 1.61 3.41 -0.04 2.13 0.00 -1.08 -2.47 121.76 125.33 3bxx s ALA 34 Ca 0.28 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 3bxx s ALA 34 Cb -0.07 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3bxx s ALA 34 CO -0.09 -0.41 0.10 0.95 0.00 0.00 0.00 175.76 176.30 3bxx s THR 35 N 0.74 4.91 0.10 0.00 -4.23 -0.16 -0.93 115.64 116.07 3bxx s THR 35 Ca 0.57 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 3bxx s THR 35 Cb -0.31 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 3bxx s THR 35 CO 0.31 0.43 0.13 0.68 -0.54 0.00 0.00 174.62 175.63 3bxx s VAL 36 N -1.15 0.14 0.01 2.29 -7.23 0.50 -1.56 120.40 113.40 3bxx s VAL 36 Ca 0.21 -1.51 0.10 0.00 -1.81 0.00 0.00 61.98 58.97 3bxx s VAL 36 Cb -0.12 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 3bxx s VAL 36 CO 0.11 -0.63 1.35 0.03 -0.31 0.00 0.00 175.10 175.66 3bxx h ARG 37 N 2.82 0.00 -2.60 4.82 3.08 -1.83 -2.35 114.38 118.32 3bxx h ARG 37 Ca -0.34 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.13 3bxx h ARG 37 Cb 1.19 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.85 3bxx h ARG 37 CO 0.57 0.80 -0.85 0.34 -1.07 0.00 0.00 179.97 179.76 3bxx s ASP 38 N -6.61 2.89 0.54 7.04 -1.08 -1.26 -4.77 116.67 113.42 3bxx s ASP 38 Ca 0.02 -2.32 0.31 0.00 -0.52 0.00 0.00 52.55 50.03 3bxx s ASP 38 Cb 0.09 -0.47 1.52 0.00 -1.46 0.00 0.00 42.92 42.60 3bxx s ASP 38 CO 0.79 -0.29 2.07 1.55 0.52 0.00 0.00 175.17 179.81 3bxx h PRO 39 N 6.84 0.00 0.00 4.34 0.13 -1.91 -1.80 132.00 139.61 3bxx h PRO 39 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3bxx h PRO 39 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3bxx h PRO 39 CO 0.30 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.41 3bxx n THR 40 N -3.43 0.69 -2.79 1.56 -2.24 -1.26 -4.65 114.28 102.15 3bxx n THR 40 Ca -0.01 0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 3bxx n THR 40 Cb 0.25 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.57 6.24 0.15 3.42 3.84 -0.68 -4.95 114.94 120.39 3bxx s ASN 41 Ca 0.11 -0.64 -0.25 0.00 0.21 0.00 0.00 52.86 52.30 3bxx s ASN 41 Cb 0.08 -2.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.33 3bxx s ASN 41 CO 0.18 -1.44 1.61 0.58 -2.79 0.00 0.00 177.10 175.25 3bxx h VAL 42 N 6.01 0.29 -0.90 -5.21 2.07 -1.88 -2.94 116.25 113.69 3bxx h VAL 42 Ca -0.28 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.38 3bxx h VAL 42 Cb 1.07 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 3bxx h VAL 42 CO 1.17 0.00 0.52 0.11 0.02 0.00 0.00 177.57 179.39 3bxx h LYS 43 N -0.33 0.75 -0.44 1.57 1.57 -1.97 0.22 116.57 117.94 3bxx h LYS 43 Ca 0.12 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3bxx h LYS 43 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3bxx h LYS 43 CO -0.40 0.50 -0.17 0.87 -0.57 0.00 0.00 179.45 179.68 3bxx h LYS 44 N 0.78 0.85 0.00 3.15 1.79 -1.88 -3.37 116.57 117.88 3bxx h LYS 44 Ca 0.47 -0.32 -0.16 0.00 -2.18 0.00 0.00 60.65 58.46 3bxx h LYS 44 Cb 0.58 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 3bxx h LYS 44 CO -0.31 0.95 -2.17 1.33 -1.08 0.00 0.00 179.45 178.17 3bxx n VAL 45 N -4.13 0.61 0.15 0.50 0.24 -0.63 -4.51 118.33 110.56 3bxx n VAL 45 Ca 0.01 -0.66 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 3bxx n VAL 45 Cb 0.41 -0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.69 0.00 7.34 3.64 -0.76 -2.61 116.57 123.48 3bxx h LYS 46 Ca -0.24 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3bxx h LYS 46 Cb 1.55 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 3bxx h LYS 46 CO 0.01 -0.46 0.27 -2.39 -2.27 0.00 0.00 179.45 174.61 3bxx n HIS 47 N -5.01 0.24 -0.09 1.91 1.44 -1.26 -1.76 115.22 110.68 3bxx n HIS 47 Ca -0.08 0.12 -0.22 0.00 -2.01 0.00 0.00 57.72 55.54 3bxx n HIS 47 Cb 0.36 -0.49 -0.12 0.00 0.12 0.00 0.00 29.99 29.86 3bxx n HIS 47 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3bxx n LEU 48 N -1.70 2.57 0.09 2.39 4.77 -1.01 -4.10 117.00 120.01 3bxx n LEU 48 Ca -0.00 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3bxx n LEU 48 Cb 0.28 -0.97 0.16 0.00 -2.33 0.00 0.00 43.42 40.56 3bxx n LEU 48 CO 0.03 0.77 0.55 -0.07 -1.33 0.00 0.00 177.39 177.34 3bxx h LEU 49 N -0.27 0.25 -0.95 2.23 3.38 -1.08 -2.78 115.31 116.10 3bxx h LEU 49 Ca -0.53 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3bxx h LEU 49 Cb 1.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3bxx h LEU 49 CO -0.11 0.73 0.00 0.47 0.09 0.00 0.00 178.44 179.63 3bxx n ASP 50 N -3.93 0.52 -4.77 -0.43 9.92 -0.72 -4.55 116.55 112.57 3bxx n ASP 50 Ca -0.02 0.69 -0.41 0.00 -0.53 0.00 0.00 54.79 54.52 3bxx n ASP 50 Cb 0.56 -0.77 -0.01 0.00 -0.64 0.00 0.00 41.12 40.26 3bxx n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bxx s LEU 51 N -4.27 4.37 0.39 0.64 1.43 -1.05 -4.94 118.68 115.25 3bxx s LEU 51 Ca 0.01 2.89 -0.27 0.00 -1.03 0.00 0.00 54.13 55.72 3bxx s LEU 51 Cb 0.07 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 3bxx s LEU 51 CO 0.26 -0.72 1.37 -2.16 0.23 0.00 0.00 176.35 175.33 3bxx s PRO 52 N -1.96 4.04 -0.19 1.29 0.04 -1.26 -0.87 135.00 136.10 3bxx s PRO 52 Ca 0.51 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3bxx s PRO 52 Cb -0.43 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3bxx s PRO 52 CO 0.59 -0.49 0.00 1.63 0.04 0.00 0.00 177.00 178.77 3bxx n LYS 53 N 0.31 -0.66 -0.06 4.56 5.02 -1.26 -4.85 118.16 121.23 3bxx n LYS 53 Ca 0.02 0.32 -0.11 0.00 -2.02 0.00 0.00 58.31 56.52 3bxx n LYS 53 Cb 0.42 -3.91 -0.04 0.00 -0.02 0.00 0.00 35.03 31.47 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 0.26 -0.36 7.82 0.00 -1.24 -1.98 119.26 123.76 3bxx h ALA 54 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3bxx h ALA 54 Cb 0.38 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3bxx h ALA 54 CO 0.05 -0.13 -0.55 0.93 0.00 0.00 0.00 179.25 179.55 3bxx h GLU 55 N 0.17 -0.41 0.08 0.00 5.08 -1.82 -2.83 114.58 114.85 3bxx h GLU 55 Ca 0.07 0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 3bxx h GLU 55 Cb 0.19 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3bxx h GLU 55 CO -0.00 -0.27 -1.70 1.79 -1.00 0.00 0.00 179.01 177.82 3bxx h THR 56 N -0.42 0.92 -0.37 1.13 1.35 -1.97 -3.40 112.91 110.15 3bxx h THR 56 Ca 0.06 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3bxx h THR 56 Cb 0.60 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3bxx h THR 56 CO -0.56 0.74 0.00 1.41 -0.25 0.00 0.00 175.52 176.85 3bxx n HIS 57 N -3.32 0.54 -3.84 4.73 8.25 -0.75 -4.95 115.22 115.88 3bxx n HIS 57 Ca -0.20 -0.53 -0.27 0.00 -0.26 0.00 0.00 57.72 56.46 3bxx n HIS 57 Cb 1.04 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.13 1.43 0.36 2.41 2.96 -1.07 -0.41 118.68 123.23 3bxx s LEU 58 Ca 0.26 -0.64 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3bxx s LEU 58 Cb 0.15 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3bxx s LEU 58 CO 0.16 -0.21 0.38 0.42 -1.32 0.00 0.00 176.35 175.78 3bxx s THR 59 N 1.71 3.39 0.07 3.68 -4.23 -0.87 -4.77 115.64 114.63 3bxx s THR 59 Ca 0.01 -1.25 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3bxx s THR 59 Cb -0.15 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 3bxx s THR 59 CO -0.07 -0.11 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.93 3bxx s LEU 60 N -4.10 2.23 0.05 4.79 1.43 -1.26 -2.62 118.68 119.20 3bxx s LEU 60 Ca 0.45 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3bxx s LEU 60 Cb -0.06 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3bxx s LEU 60 CO 0.28 0.09 -0.07 0.26 0.23 0.00 0.00 176.35 177.15 3bxx s TRP 61 N -0.99 0.68 -0.33 0.29 0.52 -0.11 -4.94 118.94 114.05 3bxx s TRP 61 Ca 0.06 -0.59 -0.11 0.00 0.02 0.00 0.00 56.10 55.48 3bxx s TRP 61 Cb -0.09 -0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.81 3bxx s TRP 61 CO 0.03 -0.11 0.20 0.21 0.02 0.00 0.00 176.95 177.29 3bxx s LYS 62 N -2.05 3.38 0.02 4.98 2.20 -1.25 -0.37 119.74 126.65 3bxx s LYS 62 Ca -0.06 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.71 3bxx s LYS 62 Cb -0.07 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3bxx s LYS 62 CO -0.01 -0.45 0.29 0.00 -0.36 0.00 0.00 175.35 174.82 3bxx s ALA 63 N 1.66 -0.67 -0.20 3.13 0.00 -0.88 -4.94 121.76 119.85 3bxx s ALA 63 Ca 0.05 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 3bxx s ALA 63 Cb -0.17 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.27 3bxx s ALA 63 CO 0.08 -0.35 0.40 0.34 0.00 0.00 0.00 175.76 176.24 3bxx s ASP 64 N -1.79 -0.12 0.51 0.00 -1.08 -1.26 -3.46 116.67 109.47 3bxx s ASP 64 Ca -0.08 0.81 0.38 0.00 -0.52 0.00 0.00 52.55 53.13 3bxx s ASP 64 Cb -0.03 1.27 1.54 0.00 -1.46 0.00 0.00 42.92 44.24 3bxx s ASP 64 CO -0.01 -0.25 1.70 -0.07 0.52 0.00 0.00 175.17 177.07 3bxx h LEU 65 N 8.18 0.10 0.00 -1.34 3.38 -1.94 0.62 115.31 124.31 3bxx h LEU 65 Ca -0.16 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3bxx h LEU 65 Cb 1.12 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3bxx h LEU 65 CO 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3bxx n ALA 66 N -2.74 1.74 -2.97 1.53 0.00 -1.26 -3.73 120.51 113.08 3bxx n ALA 66 Ca 0.33 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3bxx n ALA 66 Cb 1.47 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.82 5.85 0.25 0.00 1.01 0.22 -5.06 116.67 116.11 3bxx s ASP 67 Ca 0.10 -1.27 -0.31 0.00 0.71 0.00 0.00 52.55 51.78 3bxx s ASP 67 Cb 0.10 -2.07 -0.12 0.00 1.01 0.00 0.00 42.92 41.84 3bxx s ASP 67 CO 0.25 -0.52 1.59 1.21 0.21 0.00 0.00 175.17 177.91 3bxx n GLU 68 N 5.04 2.55 0.00 8.23 2.13 -1.26 -2.50 120.64 134.82 3bxx n GLU 68 Ca -0.11 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3bxx n GLU 68 Cb 0.44 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 2.66 3.30 0.19 8.31 0.00 -1.26 -4.95 105.19 113.44 3bxx n GLY 69 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3bxx n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bxx h SER 70 N 0.00 0.00 -0.03 1.61 4.64 -1.80 -1.88 113.55 116.09 3bxx h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bxx h SER 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bxx h SER 70 CO 0.00 0.00 -0.02 0.49 -0.87 0.00 0.00 176.83 176.43 3bxx n PHE 71 N -2.44 0.00 0.02 4.77 3.01 -1.26 -4.55 117.46 117.01 3bxx n PHE 71 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 3bxx n PHE 71 Cb 0.08 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 3bxx n PHE 71 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3bxx h ASP 72 N 4.48 -1.18 -0.39 4.37 3.32 -1.70 -1.43 116.42 123.90 3bxx h ASP 72 Ca 0.00 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.25 3bxx h ASP 72 Cb 0.96 0.45 -0.09 0.00 0.22 0.00 0.00 39.33 40.87 3bxx h ASP 72 CO 0.00 -0.35 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.40 3bxx h GLU 73 N -0.44 -0.33 -0.59 3.56 5.08 -1.83 0.89 114.58 120.92 3bxx h GLU 73 Ca 0.01 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3bxx h GLU 73 Cb 0.49 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3bxx h GLU 73 CO -0.28 -0.22 0.11 0.00 -1.00 0.00 0.00 179.01 177.62 3bxx h ALA 74 N 0.35 1.09 -0.03 3.43 0.00 -1.86 -2.66 119.26 119.58 3bxx h ALA 74 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3bxx h ALA 74 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3bxx h ALA 74 CO -0.57 0.60 -0.49 0.82 0.00 0.00 0.00 179.25 179.61 3bxx h ILE 75 N 0.89 1.35 -2.50 0.00 2.04 -0.66 -3.44 117.51 115.20 3bxx h ILE 75 Ca 0.18 -1.70 -0.59 0.00 1.00 0.00 0.00 64.86 63.76 3bxx h ILE 75 Cb 0.37 1.88 0.07 0.00 -0.74 0.00 0.00 36.82 38.40 3bxx h ILE 75 CO 0.01 0.49 0.68 1.17 0.00 0.00 0.00 178.15 180.50 3bxx n LYS 76 N -3.95 2.06 0.00 2.37 4.81 0.25 -2.19 118.16 121.50 3bxx n LYS 76 Ca -0.02 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 3bxx n LYS 76 Cb 0.52 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.13 3bxx n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bxx n GLY 77 N 2.65 2.74 3.81 3.14 0.00 -1.26 -5.01 105.19 111.26 3bxx n GLY 77 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3bxx n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxx h THR 79 N 2.29 1.41 -3.19 0.00 1.35 -1.14 -2.36 112.91 111.27 3bxx h THR 79 Ca -0.48 -2.71 -0.40 0.00 -0.55 0.00 0.00 66.41 62.27 3bxx h THR 79 Cb 1.19 2.72 -0.15 0.00 -1.73 0.00 0.00 68.15 70.18 3bxx h THR 79 CO 0.64 0.80 -0.73 -0.83 -0.25 0.00 0.00 175.52 175.15 3bxx s GLY 80 N -4.53 1.24 -0.10 5.82 0.00 -1.25 0.77 107.32 109.27 3bxx s GLY 80 Ca -0.06 -1.53 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 3bxx s GLY 80 CO 0.89 -1.63 0.12 0.14 0.00 0.00 0.00 173.10 172.63 3bxx s VAL 81 N -2.94 -0.19 -0.83 1.40 1.01 -1.02 -2.49 120.40 115.34 3bxx s VAL 81 Ca 0.18 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 3bxx s VAL 81 Cb -0.00 -0.34 0.16 0.00 0.00 0.00 0.00 36.38 36.19 3bxx s VAL 81 CO 0.04 0.04 0.92 -0.36 0.00 0.00 0.00 175.10 175.74 3bxx s PHE 82 N 2.23 3.35 -0.86 5.22 0.08 -0.58 -1.35 117.98 126.08 3bxx s PHE 82 Ca 0.04 -1.55 -0.25 0.00 0.12 0.00 0.00 56.93 55.29 3bxx s PHE 82 Cb -0.13 -4.06 0.04 0.00 -0.57 0.00 0.00 43.02 38.30 3bxx s PHE 82 CO -0.06 -1.27 1.34 -1.58 -0.10 0.00 0.00 175.22 173.55 3bxx s HIS 83 N 1.72 2.41 -0.09 0.36 5.65 -0.37 -2.33 115.29 122.64 3bxx s HIS 83 Ca 0.24 -0.41 0.12 0.00 0.25 0.00 0.00 55.06 55.25 3bxx s HIS 83 Cb -0.10 -4.64 -0.18 0.00 -1.18 0.00 0.00 32.58 26.48 3bxx s HIS 83 CO -0.07 -2.00 0.13 0.28 -0.65 0.00 0.00 174.74 172.43 3bxx n VAL 84 N 6.57 0.60 -1.85 0.89 0.31 -1.22 -1.97 118.33 121.66 3bxx n VAL 84 Ca 0.16 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 3bxx n VAL 84 Cb 0.50 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 -2.53 3.47 -0.03 3.52 0.00 0.08 -4.88 121.76 121.39 3bxx s ALA 85 Ca -0.06 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 3bxx s ALA 85 Cb 0.06 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3bxx s ALA 85 CO 0.55 -1.03 0.10 -0.08 0.00 0.00 0.00 175.76 175.31 3bxx s THR 86 N -1.15 0.02 0.33 0.00 -1.32 -1.26 -4.95 115.64 107.31 3bxx s THR 86 Ca 0.54 -0.16 -0.28 0.00 -1.21 0.00 0.00 61.69 60.58 3bxx s THR 86 Cb -0.45 -0.21 -0.10 0.00 -1.51 0.00 0.00 72.50 70.24 3bxx s THR 86 CO 0.60 -0.09 1.26 -2.84 -2.21 0.00 0.00 174.62 171.34 3bxx s PRO 87 N -0.25 4.34 0.19 7.08 0.02 -1.26 -5.07 135.00 140.05 3bxx s PRO 87 Ca -0.03 2.12 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 3bxx s PRO 87 Cb -0.02 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.41 3bxx s PRO 87 CO 0.00 -0.16 0.43 -1.64 -0.33 0.00 0.00 177.00 175.31 3bxx s MET 88 N -1.82 3.64 -0.89 5.54 1.00 -1.26 -4.93 119.30 120.58 3bxx s MET 88 Ca 0.49 -0.05 -0.16 0.00 0.00 0.00 0.00 55.69 55.97 3bxx s MET 88 Cb -0.38 -2.78 -0.11 0.00 0.00 0.00 0.00 34.83 31.56 3bxx s MET 88 CO 0.50 0.40 2.03 -3.47 0.00 0.00 0.00 175.02 174.47 3bxx n ASP 89 N -0.20 3.50 -0.01 3.03 2.03 -1.26 -4.75 116.55 118.90 3bxx n ASP 89 Ca -0.02 -2.58 -0.11 0.00 0.52 0.00 0.00 54.79 52.59 3bxx n ASP 89 Cb 0.52 -1.16 -0.09 0.00 -0.72 0.00 0.00 41.12 39.67 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 7.19 -0.08 -0.34 -0.67 3.57 -1.96 -3.30 116.94 121.34 3bxx h PHE 90 Ca 0.47 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.81 3bxx h PHE 90 Cb 0.50 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 3bxx h PHE 90 CO 1.49 0.50 -0.38 0.93 -2.23 0.00 0.00 178.31 178.63 3bxx h GLU 91 N -0.83 0.86 -5.11 1.11 4.39 -2.01 -3.47 114.58 109.52 3bxx h GLU 91 Ca -0.01 -0.47 -0.33 0.00 0.34 0.00 0.00 59.36 58.89 3bxx h GLU 91 Cb 0.62 0.02 0.12 0.00 -0.10 0.00 0.00 28.75 29.42 3bxx h GLU 91 CO 0.01 1.11 -0.58 0.43 -1.16 0.00 0.00 179.01 178.82 3bxx n SER 92 N -4.11 -5.42 -0.08 1.42 7.64 -1.25 -4.93 113.62 106.89 3bxx n SER 92 Ca -0.03 -0.46 -0.11 0.00 1.01 0.00 0.00 58.87 59.28 3bxx n SER 92 Cb 0.54 -4.36 -0.07 0.00 -1.01 0.00 0.00 64.21 59.31 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 -4.28 0.38 -3.03 1.43 5.02 -1.26 -4.97 118.16 111.46 3bxx n LYS 93 Ca -0.01 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 3bxx n LYS 93 Cb 0.56 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 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 -5.54 -0.38 0.53 4.39 -1.08 -1.26 -5.03 116.67 108.30 3bxx s ASP 94 Ca -0.21 -2.07 0.33 0.00 -0.52 0.00 0.00 52.55 50.09 3bxx s ASP 94 Cb 0.05 1.09 1.43 0.00 -1.46 0.00 0.00 42.92 44.04 3bxx s ASP 94 CO 0.35 -0.11 1.99 1.55 0.52 0.00 0.00 175.17 179.47 3bxx h PRO 95 N 5.48 0.00 0.85 4.34 0.13 -1.96 0.13 132.00 140.97 3bxx h PRO 95 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3bxx h PRO 95 Cb 1.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.19 3bxx h PRO 95 CO 0.14 0.00 -0.41 1.49 -0.23 0.00 0.00 178.00 178.99 3bxx h GLU 96 N 0.00 -1.10 0.00 0.86 4.57 -1.96 0.01 114.58 116.96 3bxx h GLU 96 Ca 0.00 0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3bxx h GLU 96 Cb 0.43 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3bxx h GLU 96 CO 0.00 -0.73 -0.24 -0.91 -1.18 0.00 0.00 179.01 175.96 3bxx h ASN 97 N -1.15 0.00 0.17 1.04 2.35 -1.89 -1.32 115.58 114.78 3bxx h ASN 97 Ca -0.12 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.32 3bxx h ASN 97 Cb 0.87 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.25 3bxx h ASN 97 CO 0.19 0.24 -1.57 -0.08 -1.65 0.00 0.00 177.43 174.55 3bxx h GLU 98 N 0.00 0.36 0.00 0.81 4.81 -0.76 -3.42 114.58 116.38 3bxx h GLU 98 Ca -0.00 -0.61 -0.33 0.00 -0.13 0.00 0.00 59.36 58.29 3bxx h GLU 98 Cb 1.14 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 3bxx h GLU 98 CO 0.03 1.29 -2.08 0.28 -0.73 0.00 0.00 179.01 177.80 3bxx n VAL 99 N -3.74 1.17 -0.06 0.32 0.31 -0.08 -4.68 118.33 111.57 3bxx n VAL 99 Ca -0.24 -0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 63.79 3bxx n VAL 99 Cb 1.01 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.76 0.25 -0.88 2.52 2.04 -1.01 -2.20 117.51 117.47 3bxx h ILE 100 Ca -0.50 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 64.23 3bxx h ILE 100 Cb 1.42 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 37.89 3bxx h ILE 100 CO -0.30 0.08 -0.55 0.50 0.00 0.00 0.00 178.15 177.88 3bxx h LYS 101 N -1.00 -0.07 0.00 2.37 3.64 -1.52 -0.84 116.57 119.15 3bxx h LYS 101 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3bxx h LYS 101 Cb 0.36 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3bxx h LYS 101 CO -0.01 -0.05 0.00 -2.30 -2.27 0.00 0.00 179.45 174.82 3bxx n PRO 102 N -5.31 0.23 0.16 1.90 -0.02 -1.25 0.06 135.00 130.77 3bxx n PRO 102 Ca 0.02 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3bxx n PRO 102 Cb 0.29 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 3bxx n PRO 102 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3bxx h THR 103 N 0.00 0.69 0.34 3.45 2.02 -0.67 -2.71 112.91 116.02 3bxx h THR 103 Ca 0.00 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3bxx h THR 103 Cb 0.59 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3bxx h THR 103 CO 0.00 0.11 -0.16 0.40 0.37 0.00 0.00 175.52 176.23 3bxx h ILE 104 N -0.73 0.55 0.57 3.11 2.04 -0.75 0.10 117.51 122.40 3bxx h ILE 104 Ca -0.04 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3bxx h ILE 104 Cb 0.50 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3bxx h ILE 104 CO 0.07 0.11 -0.45 -0.33 0.00 0.00 0.00 178.15 177.55 3bxx h GLU 105 N -0.89 -0.96 -0.98 2.37 5.08 -0.57 -1.47 114.58 117.16 3bxx h GLU 105 Ca -0.05 0.07 0.32 0.00 -1.00 0.00 0.00 59.36 58.70 3bxx h GLU 105 Cb 0.53 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 29.82 3bxx h GLU 105 CO 0.08 -0.64 0.28 0.78 -1.00 0.00 0.00 179.01 178.50 3bxx h GLY 106 N -1.00 1.69 0.72 -3.84 0.00 -1.48 0.20 103.07 99.36 3bxx h GLY 106 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3bxx h GLY 106 CO 0.01 -0.60 0.00 1.98 0.00 0.00 0.00 176.54 177.93 3bxx h MET 107 N 0.06 0.07 -0.38 4.80 1.85 -0.38 -0.07 114.93 120.87 3bxx h MET 107 Ca 0.69 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.73 3bxx h MET 107 Cb 1.61 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.61 3bxx h MET 107 CO -0.81 0.35 0.09 -0.07 -0.40 0.00 0.00 176.91 176.08 3bxx h LEU 108 N -0.23 0.52 -0.49 3.39 3.38 -0.23 -1.77 115.31 119.87 3bxx h LEU 108 Ca 0.01 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3bxx h LEU 108 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3bxx h LEU 108 CO 0.00 0.52 -0.14 1.23 0.09 0.00 0.00 178.44 180.14 3bxx h GLY 109 N 0.78 1.04 2.00 0.83 0.00 -0.54 -1.40 103.07 105.78 3bxx h GLY 109 Ca 0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 3bxx h GLY 109 CO -0.00 0.80 -0.17 -2.22 0.00 0.00 0.00 176.54 174.94 3bxx h ILE 110 N 0.82 0.90 0.06 2.60 2.04 -0.61 -2.21 117.51 121.11 3bxx h ILE 110 Ca 0.12 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3bxx h ILE 110 Cb 0.70 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3bxx h ILE 110 CO 0.05 0.17 -0.03 0.24 0.00 0.00 0.00 178.15 178.58 3bxx h MET 111 N 0.00 -0.08 -0.55 2.37 2.86 -0.84 -3.07 114.93 115.61 3bxx h MET 111 Ca -0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3bxx h MET 111 Cb 0.36 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 3bxx h MET 111 CO 0.02 0.51 0.21 0.87 1.06 0.00 0.00 176.91 179.58 3bxx h LYS 112 N -0.85 0.38 -0.99 1.72 1.57 -1.28 -1.47 116.57 115.65 3bxx h LYS 112 Ca -0.01 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.94 3bxx h LYS 112 Cb 0.63 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.76 3bxx h LYS 112 CO 0.01 0.25 0.61 0.77 -0.57 0.00 0.00 179.45 180.53 3bxx h SER 113 N 0.39 0.73 -0.14 0.86 0.02 -1.49 -1.08 113.55 112.83 3bxx h SER 113 Ca 0.27 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3bxx h SER 113 Cb 0.30 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3bxx h SER 113 CO -0.27 0.28 -0.16 0.00 -1.14 0.00 0.00 176.83 175.54 3bxx h ALA 115 N 0.60 0.31 0.00 0.00 0.00 -0.91 -2.73 119.26 116.53 3bxx h ALA 115 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bxx h ALA 115 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3bxx h ALA 115 CO 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3bxx h ALA 116 N 1.21 1.00 0.00 0.00 0.00 -1.23 -3.04 119.26 117.19 3bxx h ALA 116 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3bxx h ALA 116 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3bxx h ALA 116 CO -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.71 3bxx h ALA 117 N 2.15 0.86 -0.28 0.00 0.00 -0.83 -3.48 119.26 117.67 3bxx h ALA 117 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3bxx h ALA 117 Cb 0.53 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3bxx h ALA 117 CO 0.00 0.46 -0.11 1.63 0.00 0.00 0.00 179.25 181.23 3bxx n LYS 118 N -3.33 -1.64 0.00 0.00 4.01 -1.15 -4.60 118.16 111.45 3bxx n LYS 118 Ca 0.01 0.67 0.00 0.00 -0.51 0.00 0.00 58.31 58.48 3bxx n LYS 118 Cb 0.59 -5.00 0.00 0.00 -0.51 0.00 0.00 35.03 30.11 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 -2.22 0.00 -1.61 -0.18 -1.04 -1.26 -5.00 114.28 102.97 3bxx n THR 119 Ca -0.06 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.05 61.48 3bxx n THR 119 Cb 0.50 0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 69.48 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 -0.79 3.04 -0.60 12.58 1.01 -0.89 -4.14 120.40 130.60 3bxx s VAL 120 Ca 0.00 0.03 0.24 0.00 0.00 0.00 0.00 61.98 62.25 3bxx s VAL 120 Cb 0.00 -3.07 0.13 0.00 0.00 0.00 0.00 36.38 33.43 3bxx s VAL 120 CO 0.00 -0.06 1.43 0.08 0.00 0.00 0.00 175.10 176.55 3bxx h ARG 121 N 17.52 0.00 -1.68 2.72 0.11 0.11 -3.48 114.38 129.67 3bxx h ARG 121 Ca -0.31 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.81 3bxx h ARG 121 Cb 1.25 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.10 3bxx h ARG 121 CO 1.08 0.00 0.42 0.50 0.10 0.00 0.00 179.97 182.08 3bxx s ARG 122 N -3.18 0.67 -0.21 0.08 3.52 -1.22 -4.71 118.95 113.91 3bxx s ARG 122 Ca 0.07 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 3bxx s ARG 122 Cb 0.12 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.87 3bxx s ARG 122 CO 0.69 -0.16 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.75 3bxx s LEU 123 N -0.58 2.46 -0.31 -0.88 0.20 -1.20 -2.43 118.68 115.94 3bxx s LEU 123 Ca -0.02 -0.99 -0.19 0.00 0.69 0.00 0.00 54.13 53.62 3bxx s LEU 123 Cb -0.02 -1.26 -0.01 0.00 -0.43 0.00 0.00 46.19 44.46 3bxx s LEU 123 CO 0.01 -0.16 0.57 -0.69 -0.29 0.00 0.00 176.35 175.78 3bxx s VAL 124 N 1.36 4.99 -0.08 1.68 1.01 -0.45 -2.40 120.40 126.51 3bxx s VAL 124 Ca -0.03 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 3bxx s VAL 124 Cb -0.17 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3bxx s VAL 124 CO -0.08 -0.12 0.13 0.12 0.00 0.00 0.00 175.10 175.15 3bxx s PHE 125 N 2.48 3.50 -0.42 5.22 5.36 -0.26 -1.24 117.98 132.62 3bxx s PHE 125 Ca 0.22 0.41 -0.19 0.00 -0.96 0.00 0.00 56.93 56.42 3bxx s PHE 125 Cb -0.15 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 3bxx s PHE 125 CO 0.12 0.66 0.52 0.99 -1.46 0.00 0.00 175.22 176.05 3bxx s THR 126 N -1.10 4.99 0.00 0.12 2.01 -0.83 -1.00 115.64 119.82 3bxx s THR 126 Ca 0.19 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3bxx s THR 126 Cb -0.12 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.30 3bxx s THR 126 CO 0.08 -0.46 0.00 -0.24 -0.69 0.00 0.00 174.62 173.31 3bxx n SER 127 N 5.85 0.00 -4.07 3.53 2.88 0.35 -4.90 113.62 117.26 3bxx n SER 127 Ca -0.05 -0.19 -0.11 0.00 -1.33 0.00 0.00 58.87 57.19 3bxx n SER 127 Cb 0.48 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.00 0.77 0.51 -3.46 0.15 -1.26 -4.36 113.70 105.04 3bxx s SER 128 Ca 0.00 -0.67 0.28 0.00 0.70 0.00 0.00 55.95 56.26 3bxx s SER 128 Cb 0.00 0.07 1.35 0.00 -1.71 0.00 0.00 66.02 65.73 3bxx s SER 128 CO 0.00 -0.31 2.01 0.00 1.20 0.00 0.00 173.24 176.14 3bxx h ALA 129 N 4.11 1.16 0.00 5.45 0.00 -1.89 -2.43 119.26 125.66 3bxx h ALA 129 Ca -0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3bxx h ALA 129 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3bxx h ALA 129 CO 0.48 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3bxx n GLY 130 N -0.39 -1.10 0.21 0.00 0.00 -1.26 -1.20 105.19 101.45 3bxx n GLY 130 Ca -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.41 0.00 2.61 1.35 -1.68 -3.39 112.91 112.22 3bxx h THR 131 Ca 0.00 -1.22 -0.10 0.00 -0.55 0.00 0.00 66.41 64.54 3bxx h THR 131 Cb 0.27 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 3bxx h THR 131 CO 0.00 0.19 -1.21 0.52 -0.25 0.00 0.00 175.52 174.78 3bxx n VAL 132 N -3.25 1.49 -1.35 6.82 0.31 -0.34 0.17 118.33 122.18 3bxx n VAL 132 Ca 0.01 0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.40 3bxx n VAL 132 Cb 0.49 -2.25 0.21 0.00 -0.91 0.00 0.00 33.84 31.38 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 -4.45 2.61 -4.42 4.52 6.94 -1.12 -2.91 115.26 116.43 3bxx n ASN 133 Ca -0.21 -3.58 -0.43 0.00 -0.02 0.00 0.00 54.58 50.34 3bxx n ASN 133 Cb 0.55 -0.58 -0.10 0.00 -2.36 0.00 0.00 39.78 37.29 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 -3.13 5.05 -0.09 1.53 -1.09 -1.26 -4.97 121.20 117.23 3bxx s ILE 134 Ca 0.42 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 3bxx s ILE 134 Cb 0.38 -3.87 0.12 0.00 -1.58 0.00 0.00 42.46 37.51 3bxx s ILE 134 CO 0.01 -0.36 0.99 0.00 -1.23 0.00 0.00 174.94 174.34 3bxx s GLN 135 N 1.63 0.64 0.13 2.79 -2.07 -1.26 -1.11 119.66 120.41 3bxx s GLN 135 Ca 0.04 -0.11 -0.30 0.00 -1.82 0.00 0.00 55.36 53.17 3bxx s GLN 135 Cb -0.20 0.30 -0.09 0.00 -1.09 0.00 0.00 33.01 31.93 3bxx s GLN 135 CO 0.08 -0.26 1.50 1.49 -1.32 0.00 0.00 175.29 176.78 3bxx h GLU 136 N 2.19 -0.24 -6.35 9.60 4.81 -1.96 -3.41 114.58 119.22 3bxx h GLU 136 Ca -0.18 0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.37 3bxx h GLU 136 Cb 1.20 0.05 -0.24 0.00 0.63 0.00 0.00 28.75 30.39 3bxx h GLU 136 CO 0.29 -0.16 -0.78 -1.01 -0.73 0.00 0.00 179.01 176.62 3bxx s HIS 137 N -5.37 2.66 -0.10 0.92 3.76 -1.26 -5.09 115.29 110.81 3bxx s HIS 137 Ca -0.12 -0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 3bxx s HIS 137 Cb 0.08 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 3bxx s HIS 137 CO 0.56 0.16 0.59 -0.65 -0.85 0.00 0.00 174.74 174.56 3bxx s GLN 138 N -0.71 4.38 0.53 1.40 -1.52 -1.26 -5.07 119.66 117.40 3bxx s GLN 138 Ca 0.11 0.67 -0.22 0.00 -1.95 0.00 0.00 55.36 53.97 3bxx s GLN 138 Cb -0.11 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.18 3bxx s GLN 138 CO 0.00 0.10 1.34 -0.51 -0.25 0.00 0.00 175.29 175.97 3bxx s LEU 139 N 0.75 3.89 0.53 2.90 1.43 -1.26 -4.97 118.68 121.95 3bxx s LEU 139 Ca 0.32 2.73 0.30 0.00 -1.03 0.00 0.00 54.13 56.45 3bxx s LEU 139 Cb -0.16 -4.24 1.40 0.00 0.03 0.00 0.00 46.19 43.22 3bxx s LEU 139 CO 0.14 -1.47 2.02 1.55 0.23 0.00 0.00 176.35 178.82 3bxx h PRO 140 N 1.59 0.00 -3.49 1.29 0.13 -1.94 -3.45 132.00 126.14 3bxx h PRO 140 Ca -0.51 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 3bxx h PRO 140 Cb 1.29 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 3bxx h PRO 140 CO 0.58 0.10 -0.61 0.08 -0.23 0.00 0.00 178.00 177.92 3bxx s VAL 141 N -3.89 -0.00 0.06 1.56 1.01 -1.26 -2.01 120.40 115.87 3bxx s VAL 141 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3bxx s VAL 141 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 3bxx s VAL 141 CO 0.56 0.00 -0.23 -0.31 0.00 0.00 0.00 175.10 175.13 3bxx s TYR 142 N 0.11 2.41 0.00 5.22 2.02 0.20 -4.97 117.35 122.34 3bxx s TYR 142 Ca -0.00 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 3bxx s TYR 142 Cb -0.01 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 3bxx s TYR 142 CO -0.00 0.21 0.00 -0.40 -1.57 0.00 0.00 175.55 173.79 3bxx n ASP 143 N 1.52 0.19 0.01 2.29 5.68 -1.26 0.50 116.55 125.47 3bxx n ASP 143 Ca -0.17 -0.82 0.05 0.00 -0.50 0.00 0.00 54.79 53.35 3bxx n ASP 143 Cb 0.52 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.72 3bxx n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bxx n GLU 144 N 0.00 0.02 0.03 0.11 4.71 -1.26 -2.34 120.64 121.90 3bxx n GLU 144 Ca 0.00 0.36 0.12 0.00 -0.01 0.00 0.00 57.16 57.63 3bxx n GLU 144 Cb 0.00 -1.54 0.12 0.00 -1.01 0.00 0.00 31.44 29.01 3bxx n GLU 144 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3bxx n SER 145 N -1.57 0.63 -4.74 1.62 3.41 -1.26 -4.91 113.62 106.80 3bxx n SER 145 Ca 0.02 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 3bxx n SER 145 Cb 0.11 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.12 1.95 0.92 0.00 0.52 -1.22 -4.40 118.94 116.59 3bxx s TRP 147 Ca 0.42 -0.44 -0.12 0.00 0.02 0.00 0.00 56.10 55.98 3bxx s TRP 147 Cb -0.22 -0.97 0.14 0.00 -1.15 0.00 0.00 33.47 31.27 3bxx s TRP 147 CO 0.26 0.38 1.11 -1.12 0.02 0.00 0.00 176.95 177.60 3bxx s SER 148 N -2.67 3.40 -0.50 2.95 0.01 0.44 -4.68 113.70 112.65 3bxx s SER 148 Ca 0.17 1.18 -0.12 0.00 1.31 0.00 0.00 55.95 58.49 3bxx s SER 148 Cb -0.06 -1.83 0.12 0.00 0.21 0.00 0.00 66.02 64.46 3bxx s SER 148 CO 0.08 -2.64 0.41 -0.62 0.41 0.00 0.00 173.24 170.88 3bxx s ASP 149 N -3.73 5.92 0.56 2.44 -1.08 -0.27 -4.95 116.67 115.57 3bxx s ASP 149 Ca 0.64 -1.84 0.37 0.00 -0.52 0.00 0.00 52.55 51.20 3bxx s ASP 149 Cb -0.16 -2.10 1.79 0.00 -1.46 0.00 0.00 42.92 40.99 3bxx s ASP 149 CO 0.55 -0.76 2.11 0.24 0.52 0.00 0.00 175.17 177.83 3bxx h MET 150 N 8.65 0.00 -0.48 4.34 2.86 -1.95 -1.16 114.93 127.18 3bxx h MET 150 Ca -0.25 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 3bxx h MET 150 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3bxx h MET 150 CO 0.94 0.00 -0.19 1.49 1.06 0.00 0.00 176.91 180.20 3bxx h GLU 151 N 0.00 0.98 0.12 1.72 4.81 -1.98 -2.54 114.58 117.68 3bxx h GLU 151 Ca 0.00 -0.41 -0.27 0.00 -0.13 0.00 0.00 59.36 58.55 3bxx h GLU 151 Cb 0.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3bxx h GLU 151 CO 0.00 1.08 -1.22 0.35 -0.73 0.00 0.00 179.01 178.50 3bxx h PHE 152 N 0.83 0.48 -0.68 0.92 3.57 -1.62 0.24 116.94 120.68 3bxx h PHE 152 Ca 0.11 -0.34 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 3bxx h PHE 152 Cb 0.77 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3bxx h PHE 152 CO 0.05 1.26 0.20 0.00 -2.23 0.00 0.00 178.31 177.60 3bxx h ARG 154 N 1.00 0.27 0.00 0.00 3.08 -1.40 0.07 114.38 117.40 3bxx h ARG 154 Ca 0.22 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3bxx h ARG 154 Cb 0.31 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3bxx h ARG 154 CO -0.00 1.17 -0.07 0.00 -1.07 0.00 0.00 179.97 180.00 3bxx h ALA 155 N 0.52 1.06 0.00 0.04 0.00 -0.62 -3.38 119.26 116.87 3bxx h ALA 155 Ca -0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3bxx h ALA 155 Cb 2.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3bxx h ALA 155 CO 0.18 0.09 -1.21 1.63 0.00 0.00 0.00 179.25 179.94 3bxx n LYS 156 N -3.25 1.31 -3.51 0.00 5.02 -1.16 -5.05 118.16 111.52 3bxx n LYS 156 Ca -0.00 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 3bxx n LYS 156 Cb 0.29 -1.08 0.08 0.00 -0.02 0.00 0.00 35.03 34.30 3bxx n LYS 156 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bxx n LYS 157 N -2.43 -7.36 -0.64 1.97 4.76 0.01 -4.98 118.16 109.49 3bxx n LYS 157 Ca -0.06 0.82 -0.30 0.00 -2.87 0.00 0.00 58.31 55.89 3bxx n LYS 157 Cb 0.58 -5.80 0.19 0.00 -1.84 0.00 0.00 35.03 28.16 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 -5.96 0.46 0.46 1.97 0.23 -1.26 -4.85 119.30 110.35 3bxx s MET 158 Ca 0.38 1.38 -0.21 0.00 -1.03 0.00 0.00 55.69 56.21 3bxx s MET 158 Cb -0.17 -1.68 -0.12 0.00 -1.53 0.00 0.00 34.83 31.34 3bxx s MET 158 CO 0.71 -2.96 0.49 2.41 -2.03 0.00 0.00 175.02 173.64 3bxx n THR 159 N -4.44 1.73 -0.96 3.16 -1.04 -1.26 -2.18 114.28 109.28 3bxx n THR 159 Ca 0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 3bxx n THR 159 Cb 0.53 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 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 -1.11 0.00 0.06 2.41 0.00 -1.26 -4.90 120.51 115.71 3bxx n ALA 160 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 3bxx n ALA 160 Cb 0.42 -0.28 0.15 0.00 0.00 0.00 0.00 19.45 19.73 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 0.43 -0.03 0.00 5.08 -1.77 -1.69 115.95 117.98 3bxx h TRP 161 Ca 0.00 -0.14 -0.08 0.00 1.08 0.00 0.00 58.89 59.75 3bxx h TRP 161 Cb 0.14 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 3bxx h TRP 161 CO 0.09 0.77 -0.36 0.00 -1.28 0.00 0.00 178.44 177.66 3bxx h MET 162 N 0.29 0.05 -0.21 0.12 -0.00 -1.90 -1.82 114.93 111.46 3bxx h MET 162 Ca 0.02 -0.02 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 3bxx h MET 162 Cb 0.95 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.53 3bxx h MET 162 CO 0.08 0.40 -0.34 1.88 -0.00 0.00 0.00 176.91 178.93 3bxx h TYR 163 N 0.05 0.52 0.12 -0.10 0.05 -1.73 -2.06 116.97 113.82 3bxx h TYR 163 Ca 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 3bxx h TYR 163 Cb 0.65 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.27 3bxx h TYR 163 CO 0.00 0.73 -0.06 0.74 -1.05 0.00 0.00 178.16 178.53 3bxx h PHE 164 N 0.38 -0.15 0.08 4.88 0.04 -1.19 -3.24 116.94 117.73 3bxx h PHE 164 Ca 0.04 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3bxx h PHE 164 Cb 0.78 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.98 3bxx h PHE 164 CO 0.02 0.32 -0.04 0.28 -0.60 0.00 0.00 178.31 178.30 3bxx h VAL 165 N -0.77 1.14 -0.40 -0.55 2.07 -1.41 -1.21 116.25 115.11 3bxx h VAL 165 Ca -0.02 -0.81 0.12 0.00 0.82 0.00 0.00 66.70 66.81 3bxx h VAL 165 Cb 0.55 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3bxx h VAL 165 CO 0.03 0.20 0.36 0.77 0.02 0.00 0.00 177.57 178.95 3bxx h SER 166 N -0.47 0.00 0.26 0.57 4.64 -1.52 -0.53 113.55 116.50 3bxx h SER 166 Ca -0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 3bxx h SER 166 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3bxx h SER 166 CO 0.02 0.00 -1.82 0.11 -0.87 0.00 0.00 176.83 174.27 3bxx h LYS 167 N 0.00 0.24 -0.54 4.77 1.79 -1.50 -2.96 116.57 118.37 3bxx h LYS 167 Ca 0.19 -0.42 -0.11 0.00 -2.18 0.00 0.00 60.65 58.13 3bxx h LYS 167 Cb 0.91 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3bxx h LYS 167 CO -0.00 1.10 -0.10 1.15 -1.08 0.00 0.00 179.45 180.51 3bxx h THR 168 N 0.07 1.27 0.00 -0.16 2.02 -0.40 0.47 112.91 116.18 3bxx h THR 168 Ca -0.35 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 65.49 3bxx h THR 168 Cb 2.04 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3bxx h THR 168 CO 0.12 0.44 -0.38 -0.07 0.37 0.00 0.00 175.52 176.00 3bxx h LEU 169 N 0.90 0.00 0.09 2.58 3.38 -1.30 -1.63 115.31 119.32 3bxx h LEU 169 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3bxx h LEU 169 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3bxx h LEU 169 CO 0.05 0.38 -0.04 0.00 0.09 0.00 0.00 178.44 178.91 3bxx h ALA 170 N 1.62 -0.12 -0.41 1.53 0.00 -1.30 -2.00 119.26 118.59 3bxx h ALA 170 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3bxx h ALA 170 Cb 0.99 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3bxx h ALA 170 CO 0.05 -0.21 0.04 1.49 0.00 0.00 0.00 179.25 180.61 3bxx h GLU 171 N -0.83 0.70 0.00 0.00 4.81 -0.15 -2.69 114.58 116.42 3bxx h GLU 171 Ca -0.01 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3bxx h GLU 171 Cb 0.59 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3bxx h GLU 171 CO 0.02 0.76 0.00 1.04 -0.73 0.00 0.00 179.01 180.10 3bxx n GLN 172 N -4.48 0.00 -0.32 1.92 6.02 -0.61 -2.20 117.38 117.70 3bxx n GLN 172 Ca -0.01 0.69 0.21 0.00 -0.01 0.00 0.00 57.00 57.89 3bxx n GLN 172 Cb 0.26 -1.47 0.42 0.00 1.02 0.00 0.00 30.24 30.47 3bxx n GLN 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bxx h ALA 173 N -1.58 1.66 0.17 -1.58 0.00 -1.39 0.25 119.26 116.79 3bxx h ALA 173 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3bxx h ALA 173 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3bxx h ALA 173 CO 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 179.25 178.29 3bxx h ALA 174 N 1.92 -0.53 -0.38 0.00 0.00 -1.38 -1.18 119.26 117.71 3bxx h ALA 174 Ca 0.69 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.61 3bxx h ALA 174 Cb 1.61 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 3bxx h ALA 174 CO -0.75 -0.84 0.03 -1.49 0.00 0.00 0.00 179.25 176.20 3bxx h TRP 175 N -0.54 0.04 -0.95 0.00 4.06 -0.04 0.60 115.95 119.14 3bxx h TRP 175 Ca 0.02 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.15 3bxx h TRP 175 Cb 0.54 0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.66 3bxx h TRP 175 CO -0.24 -0.04 0.60 -0.22 -3.56 0.00 0.00 178.44 174.99 3bxx h LYS 176 N 0.14 0.72 0.06 0.49 3.64 -1.36 -0.70 116.57 119.57 3bxx h LYS 176 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3bxx h LYS 176 Cb 0.24 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3bxx h LYS 176 CO -0.28 0.48 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.43 3bxx h TYR 177 N 0.74 -0.08 -0.31 1.91 5.03 0.30 -2.91 116.97 121.66 3bxx h TYR 177 Ca 0.49 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.85 3bxx h TYR 177 Cb 0.77 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.03 3bxx h TYR 177 CO -0.00 0.49 0.02 0.00 -1.32 0.00 0.00 178.16 177.34 3bxx h ALA 178 N 0.09 0.29 -0.71 1.82 0.00 0.61 -1.80 119.26 119.56 3bxx h ALA 178 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bxx h ALA 178 Cb 0.60 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bxx h ALA 178 CO 0.01 -0.39 0.00 1.17 0.00 0.00 0.00 179.25 180.04 3bxx n LYS 179 N -5.15 0.00 -0.51 0.00 3.00 -0.31 -0.51 118.16 114.68 3bxx n LYS 179 Ca 0.00 0.57 0.41 0.00 -0.00 0.00 0.00 58.31 59.29 3bxx n LYS 179 Cb 0.15 -1.38 0.65 0.00 0.00 0.00 0.00 35.03 34.45 3bxx n LYS 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3bxx n GLU 180 N -1.97 -0.02 -0.08 1.64 1.02 -1.00 -0.81 120.64 119.42 3bxx n GLU 180 Ca 0.00 1.02 0.04 0.00 -0.02 0.00 0.00 57.16 58.20 3bxx n GLU 180 Cb 0.00 -2.16 0.08 0.00 -0.02 0.00 0.00 31.44 29.34 3bxx n GLU 180 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bxx n ASN 181 N -4.07 2.28 -3.62 1.62 3.02 -0.71 -5.04 115.26 108.75 3bxx n ASN 181 Ca 0.37 -1.71 -0.28 0.00 -0.03 0.00 0.00 54.58 52.92 3bxx n ASN 181 Cb 1.56 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 40.67 3bxx n ASN 181 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bxx n ASN 182 N 0.39 -5.57 -4.73 6.41 5.03 0.34 -5.00 115.26 112.13 3bxx n ASN 182 Ca 0.07 -0.95 -0.35 0.00 0.87 0.00 0.00 54.58 54.22 3bxx n ASN 182 Cb 0.31 -3.58 -0.08 0.00 -1.02 0.00 0.00 39.78 35.41 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3bxx s ILE 183 N -3.42 5.16 0.14 2.41 1.01 -0.54 -5.05 121.20 120.92 3bxx s ILE 183 Ca 0.44 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 3bxx s ILE 183 Cb -0.15 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3bxx s ILE 183 CO 0.85 0.50 1.26 -0.62 0.00 0.00 0.00 174.94 176.92 3bxx s ASP 184 N -0.05 7.00 -0.28 3.58 -1.08 -1.26 -4.73 116.67 119.85 3bxx s ASP 184 Ca 0.08 2.22 -0.20 0.00 -0.52 0.00 0.00 52.55 54.13 3bxx s ASP 184 Cb -0.12 -2.60 0.08 0.00 -1.46 0.00 0.00 42.92 38.83 3bxx s ASP 184 CO 0.00 -0.48 0.72 0.12 0.52 0.00 0.00 175.17 176.05 3bxx s PHE 185 N 0.52 -0.91 0.07 -5.34 5.36 -1.26 -3.21 117.98 113.20 3bxx s PHE 185 Ca 0.57 1.99 0.04 0.00 -0.96 0.00 0.00 56.93 58.58 3bxx s PHE 185 Cb -0.33 0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.78 3bxx s PHE 185 CO 0.33 -0.45 -0.12 0.42 -1.46 0.00 0.00 175.22 173.95 3bxx s ILE 186 N 1.03 0.92 0.03 3.12 -1.09 -1.01 -4.01 121.20 120.19 3bxx s ILE 186 Ca -0.05 -1.29 0.05 0.00 -2.23 0.00 0.00 60.65 57.13 3bxx s ILE 186 Cb -0.05 -0.98 -0.02 0.00 -1.58 0.00 0.00 42.46 39.83 3bxx s ILE 186 CO -0.10 -0.32 -0.15 0.42 -1.23 0.00 0.00 174.94 173.56 3bxx s THR 187 N -1.47 1.17 -0.22 2.92 -4.23 -1.14 -1.10 115.64 111.56 3bxx s THR 187 Ca -0.03 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 3bxx s THR 187 Cb -0.09 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.72 3bxx s THR 187 CO 0.01 0.08 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.46 3bxx s ILE 188 N -0.75 2.98 -0.58 2.99 1.01 -0.17 -1.54 121.20 125.13 3bxx s ILE 188 Ca 0.03 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 3bxx s ILE 188 Cb -0.07 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.09 3bxx s ILE 188 CO 0.01 0.39 0.80 -0.63 0.00 0.00 0.00 174.94 175.52 3bxx s ILE 189 N 1.40 4.61 0.92 2.92 1.01 -1.06 -0.49 121.20 130.51 3bxx s ILE 189 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 3bxx s ILE 189 Cb -0.15 -4.51 0.16 0.00 0.01 0.00 0.00 42.46 37.98 3bxx s ILE 189 CO -0.06 -1.14 1.26 -2.84 0.00 0.00 0.00 174.94 172.17 3bxx s PRO 190 N 3.32 1.03 0.00 2.79 0.02 -1.26 -0.83 135.00 140.06 3bxx s PRO 190 Ca 0.19 -0.20 0.00 0.00 0.02 0.00 0.00 61.00 61.01 3bxx s PRO 190 Cb -0.18 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3bxx s PRO 190 CO 0.11 -2.19 0.00 0.25 -0.33 0.00 0.00 177.00 174.85 3bxx n THR 191 N -3.66 0.00 -1.83 0.99 -2.24 -1.21 -3.24 114.28 103.09 3bxx n THR 191 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 3bxx n THR 191 Cb 0.60 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 3.83 0.06 3.22 2.96 -1.23 -4.69 118.68 122.83 3bxx s LEU 192 Ca 0.00 1.92 -0.23 0.00 -0.22 0.00 0.00 54.13 55.60 3bxx s LEU 192 Cb 0.00 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 3bxx s LEU 192 CO 0.00 -1.49 0.71 -0.69 -1.32 0.00 0.00 176.35 173.56 3bxx s VAL 193 N 6.23 4.70 0.10 1.68 1.01 -1.26 -3.58 120.40 129.28 3bxx s VAL 193 Ca 0.86 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 64.35 3bxx s VAL 193 Cb -0.31 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3bxx s VAL 193 CO 0.34 0.43 0.03 -0.69 0.00 0.00 0.00 175.10 175.21 3bxx s VAL 194 N -0.41 0.15 -5.00 2.92 1.01 -0.94 -4.62 120.40 113.51 3bxx s VAL 194 Ca 0.35 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3bxx s VAL 194 Cb -0.20 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3bxx s VAL 194 CO 0.22 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.26 3bxx n GLY 195 N -0.02 0.97 0.00 4.51 0.00 -1.20 -1.29 105.19 108.16 3bxx n GLY 195 Ca -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3bxx n GLY 195 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bxx n PRO 196 N 0.00 -0.03 -3.62 1.61 -0.04 -1.25 -1.61 135.00 130.07 3bxx n PRO 196 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3bxx n PRO 196 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 3bxx n PRO 196 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3bxx s PHE 197 N -0.70 -0.05 -0.40 0.54 -0.71 -1.26 -4.82 117.98 110.57 3bxx s PHE 197 Ca 0.00 0.02 0.05 0.00 -1.04 0.00 0.00 56.93 55.96 3bxx s PHE 197 Cb 0.00 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 3bxx s PHE 197 CO 0.00 -0.09 0.39 0.44 -1.34 0.00 0.00 175.22 174.62 3bxx n ILE 198 N -0.13 0.00 -1.67 -4.49 -5.35 -1.26 -5.02 119.36 101.44 3bxx n ILE 198 Ca 0.01 -0.43 -0.35 0.00 -0.27 0.00 0.00 62.75 61.71 3bxx n ILE 198 Cb 0.58 1.05 0.07 0.00 -1.74 0.00 0.00 39.64 39.60 3bxx n ILE 198 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bxx s MET 199 N -1.04 2.50 0.06 6.28 0.23 -1.26 -4.79 119.30 121.28 3bxx s MET 199 Ca 0.04 1.75 0.23 0.00 -1.03 0.00 0.00 55.69 56.68 3bxx s MET 199 Cb 0.04 -1.88 0.16 0.00 -1.53 0.00 0.00 34.83 31.62 3bxx s MET 199 CO 0.14 -1.56 1.13 0.43 -2.03 0.00 0.00 175.02 173.14 3bxx n SER 200 N -2.29 0.63 -4.93 -1.18 7.64 -1.26 -4.91 113.62 107.32 3bxx n SER 200 Ca 0.13 -0.14 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 3bxx n SER 200 Cb 0.50 0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 64.28 3bxx n SER 200 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bxx s SER 201 N -3.92 5.16 -0.15 6.43 1.04 -1.26 -5.08 113.70 115.92 3bxx s SER 201 Ca 0.05 -0.73 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 3bxx s SER 201 Cb 0.14 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 3bxx s SER 201 CO 0.77 -0.81 1.41 -0.32 0.98 0.00 0.00 173.24 175.27 3bxx s MET 202 N -4.26 4.14 0.30 4.02 1.75 -1.26 -4.96 119.30 119.02 3bxx s MET 202 Ca 0.50 1.76 -0.29 0.00 -1.25 0.00 0.00 55.69 56.41 3bxx s MET 202 Cb -0.05 -3.87 -0.10 0.00 2.84 0.00 0.00 34.83 33.65 3bxx s MET 202 CO 0.30 -0.85 1.42 -2.14 -0.65 0.00 0.00 175.02 173.09 3bxx s PRO 203 N 3.84 4.26 0.20 4.11 0.02 -1.26 -4.90 135.00 141.27 3bxx s PRO 203 Ca 0.62 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.87 3bxx s PRO 203 Cb -0.25 -3.07 0.25 0.00 0.02 0.00 0.00 34.50 31.46 3bxx s PRO 203 CO 0.21 -0.38 1.76 -1.35 -0.33 0.00 0.00 177.00 176.91 3bxx h PRO 204 N 4.18 0.45 0.00 5.54 0.11 -2.00 -0.47 132.00 139.80 3bxx h PRO 204 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3bxx h PRO 204 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3bxx h PRO 204 CO 0.72 0.30 -0.08 0.66 -0.21 0.00 0.00 178.00 179.38 3bxx h SER 205 N 0.46 0.00 0.41 -2.05 4.64 -1.90 -2.25 113.55 112.86 3bxx h SER 205 Ca 0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 3bxx h SER 205 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3bxx h SER 205 CO -0.26 0.08 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.20 3bxx h LEU 206 N 0.00 0.13 -1.90 5.97 3.38 -1.34 -2.34 115.31 119.20 3bxx h LEU 206 Ca -0.00 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3bxx h LEU 206 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3bxx h LEU 206 CO 0.01 0.62 0.24 0.40 0.09 0.00 0.00 178.44 179.80 3bxx h ILE 207 N 0.09 0.88 0.08 1.22 2.04 -1.12 -0.44 117.51 120.26 3bxx h ILE 207 Ca 0.00 -0.04 -0.18 0.00 1.00 0.00 0.00 64.86 65.64 3bxx h ILE 207 Cb 0.94 0.76 0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3bxx h ILE 207 CO 0.07 0.02 -0.75 0.74 0.00 0.00 0.00 178.15 178.23 3bxx h THR 208 N 0.12 1.45 -0.01 -0.27 2.02 -1.52 -3.31 112.91 111.39 3bxx h THR 208 Ca 0.16 -2.32 -0.17 0.00 0.77 0.00 0.00 66.41 64.86 3bxx h THR 208 Cb 0.49 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.77 3bxx h THR 208 CO -0.02 0.67 -0.75 0.00 0.37 0.00 0.00 175.52 175.79 3bxx h ALA 209 N 0.21 0.72 -0.11 6.16 0.00 -1.02 -2.44 119.26 122.77 3bxx h ALA 209 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3bxx h ALA 209 Cb 1.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3bxx h ALA 209 CO 0.14 0.88 0.00 1.28 0.00 0.00 0.00 179.25 181.55 3bxx n LEU 210 N -3.71 0.82 -0.14 0.00 4.77 -0.21 -4.46 117.00 114.08 3bxx n LEU 210 Ca -0.02 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.55 3bxx n LEU 210 Cb 0.72 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 3bxx n LEU 210 CO 0.45 0.19 0.79 0.77 -1.33 0.00 0.00 177.39 178.26 3bxx h SER 211 N 1.00 -0.36 -0.86 -1.43 4.64 -1.52 -1.86 113.55 113.16 3bxx h SER 211 Ca 0.00 0.13 0.18 0.00 -0.47 0.00 0.00 61.79 61.63 3bxx h SER 211 Cb 0.22 0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.46 3bxx h SER 211 CO 0.00 -0.13 0.41 -0.65 -0.87 0.00 0.00 176.83 175.59 3bxx h PRO 212 N 0.02 0.49 -0.31 4.77 0.11 -1.83 0.61 132.00 135.85 3bxx h PRO 212 Ca 0.21 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 3bxx h PRO 212 Cb 0.33 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3bxx h PRO 212 CO -0.44 0.32 -0.34 0.82 -0.21 0.00 0.00 178.00 178.16 3bxx h ILE 213 N 0.50 1.29 0.00 4.15 2.04 -1.78 -3.34 117.51 120.37 3bxx h ILE 213 Ca 0.50 -1.52 -0.17 0.00 1.00 0.00 0.00 64.86 64.67 3bxx h ILE 213 Cb 0.84 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3bxx h ILE 213 CO -0.44 0.49 -0.90 0.71 0.00 0.00 0.00 178.15 178.01 3bxx h THR 214 N 0.54 1.25 -1.59 -0.27 1.35 -0.87 -3.48 112.91 109.83 3bxx h THR 214 Ca 0.04 -2.82 -0.13 0.00 -0.55 0.00 0.00 66.41 62.96 3bxx h THR 214 Cb 0.93 2.60 0.01 0.00 -1.73 0.00 0.00 68.15 69.96 3bxx h THR 214 CO 0.08 0.71 -0.18 0.61 -0.25 0.00 0.00 175.52 176.49 3bxx n GLY 215 N 1.32 0.27 2.82 5.82 0.00 0.21 -4.97 105.19 110.66 3bxx n GLY 215 Ca -0.01 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3bxx n GLY 215 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bxx n ASN 216 N 0.49 3.95 -0.48 1.61 3.02 -1.19 -4.87 115.26 117.79 3bxx n ASN 216 Ca -0.04 -2.67 0.40 0.00 -0.03 0.00 0.00 54.58 52.24 3bxx n ASN 216 Cb 0.54 -1.34 0.71 0.00 -0.61 0.00 0.00 39.78 39.09 3bxx n ASN 216 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3bxx h GLU 217 N 6.74 0.07 0.00 3.52 5.08 -1.93 0.25 114.58 128.30 3bxx h GLU 217 Ca 0.53 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 3bxx h GLU 217 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3bxx h GLU 217 CO 1.84 0.05 -0.15 0.00 -1.00 0.00 0.00 179.01 179.76 3bxx h ALA 218 N 1.38 1.41 -0.56 3.43 0.00 -2.01 -3.18 119.26 119.73 3bxx h ALA 218 Ca 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3bxx h ALA 218 Cb 2.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.51 3bxx h ALA 218 CO -0.19 0.18 0.00 0.72 0.00 0.00 0.00 179.25 179.96 3bxx n HIS 219 N -3.86 0.75 0.16 0.00 8.25 0.87 -4.42 115.22 116.95 3bxx n HIS 219 Ca -0.02 -0.37 0.03 0.00 -0.26 0.00 0.00 57.72 57.09 3bxx n HIS 219 Cb 0.24 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.55 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 3.27 0.00 0.00 4.41 0.05 -1.65 -3.26 116.97 119.79 3bxx h TYR 220 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3bxx h TYR 220 Cb 0.75 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.49 3bxx h TYR 220 CO 0.37 0.51 -0.06 0.66 -1.05 0.00 0.00 178.16 178.59 3bxx h SER 221 N 0.00 0.00 1.28 3.88 4.64 -1.84 0.28 113.55 121.79 3bxx h SER 221 Ca -0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3bxx h SER 221 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3bxx h SER 221 CO 0.07 0.06 -0.73 0.40 -0.87 0.00 0.00 176.83 175.76 3bxx h ILE 222 N 0.00 1.12 -0.02 0.95 1.08 -1.88 -3.32 117.51 115.45 3bxx h ILE 222 Ca -0.00 -2.60 0.00 0.00 -0.39 0.00 0.00 64.86 61.87 3bxx h ILE 222 Cb 0.13 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 3bxx h ILE 222 CO 0.01 0.64 -0.24 2.30 -0.69 0.00 0.00 178.15 180.16 3bxx n ILE 223 N -3.24 0.00 0.07 -0.67 -5.35 -0.93 -4.39 119.36 104.85 3bxx n ILE 223 Ca 0.00 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 3bxx n ILE 223 Cb 0.81 1.26 -0.07 0.00 -1.74 0.00 0.00 39.64 39.90 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 2.46 -0.52 -3.21 6.28 2.43 -0.56 -2.41 114.38 118.86 3bxx h ARG 224 Ca 0.00 0.04 -0.80 0.00 -0.81 0.00 0.00 59.98 58.40 3bxx h ARG 224 Cb 0.64 0.12 -0.28 0.00 -0.42 0.00 0.00 29.97 30.04 3bxx h ARG 224 CO 0.00 -0.34 0.67 1.04 -1.51 0.00 0.00 179.97 179.83 3bxx n GLN 225 N -4.63 4.08 -2.47 0.20 6.02 -1.26 -1.39 117.38 117.93 3bxx n GLN 225 Ca -0.06 -4.50 -0.31 0.00 -0.01 0.00 0.00 57.00 52.12 3bxx n GLN 225 Cb 0.30 -2.54 -0.03 0.00 1.02 0.00 0.00 30.24 28.99 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 -0.42 1.98 0.09 1.08 0.00 -0.93 -4.61 107.32 104.50 3bxx s GLY 226 Ca 0.31 0.04 0.03 0.00 0.00 0.00 0.00 44.72 45.10 3bxx s GLY 226 CO 0.03 0.29 -0.10 1.20 0.00 0.00 0.00 173.10 174.52 3bxx s GLN 227 N -4.14 0.79 0.13 2.90 1.11 -1.26 -2.49 119.66 116.69 3bxx s GLN 227 Ca 0.56 -1.10 -0.06 0.00 0.01 0.00 0.00 55.36 54.77 3bxx s GLN 227 Cb -0.10 -0.48 -0.02 0.00 -1.01 0.00 0.00 33.01 31.40 3bxx s GLN 227 CO 0.34 0.07 0.18 -0.06 0.01 0.00 0.00 175.29 175.83 3bxx s PHE 228 N -2.31 0.47 -0.14 0.91 0.08 -0.08 -3.47 117.98 113.43 3bxx s PHE 228 Ca 0.03 -0.87 -0.09 0.00 0.12 0.00 0.00 56.93 56.13 3bxx s PHE 228 Cb -0.04 -0.19 0.05 0.00 -0.57 0.00 0.00 43.02 42.27 3bxx s PHE 228 CO -0.00 -0.60 0.35 0.54 -0.10 0.00 0.00 175.22 175.41 3bxx s VAL 229 N -3.96 -0.02 0.51 -0.44 0.11 -1.23 0.90 120.40 116.26 3bxx s VAL 229 Ca 0.15 0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.08 3bxx s VAL 229 Cb 0.05 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 3bxx s VAL 229 CO -0.03 0.04 1.20 -2.28 -3.33 0.00 0.00 175.10 170.69 3bxx s HIS 230 N 1.10 2.68 0.13 1.54 2.46 -1.26 -2.21 115.29 119.72 3bxx s HIS 230 Ca -0.07 1.51 -0.14 0.00 0.47 0.00 0.00 55.06 56.82 3bxx s HIS 230 Cb -0.08 -3.44 -0.02 0.00 -0.13 0.00 0.00 32.58 28.91 3bxx s HIS 230 CO -0.09 -1.84 1.56 1.25 -2.47 0.00 0.00 174.74 173.15 3bxx h LEU 231 N 1.63 0.73 -0.66 8.88 5.85 -1.56 -2.18 115.31 128.00 3bxx h LEU 231 Ca -0.50 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 3bxx h LEU 231 Cb 1.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3bxx h LEU 231 CO 0.58 0.89 0.27 -0.78 -0.34 0.00 0.00 178.44 179.06 3bxx h ASP 232 N 0.56 0.90 -0.00 1.25 3.58 -1.93 -1.53 116.42 119.26 3bxx h ASP 232 Ca 0.11 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.41 3bxx h ASP 232 Cb 0.53 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3bxx h ASP 232 CO 0.03 0.82 -0.09 0.44 -2.88 0.00 0.00 179.24 177.57 3bxx h ASP 233 N 0.93 -0.25 -1.00 2.28 3.32 -1.94 -1.11 116.42 118.64 3bxx h ASP 233 Ca 0.22 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.48 3bxx h ASP 233 Cb 0.20 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.76 3bxx h ASP 233 CO -0.02 -0.13 0.62 0.25 -1.72 0.00 0.00 179.24 178.24 3bxx h LEU 234 N -0.15 0.83 0.02 1.55 5.85 -0.96 0.92 115.31 123.36 3bxx h LEU 234 Ca 0.03 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3bxx h LEU 234 Cb 0.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3bxx h LEU 234 CO -0.09 0.34 -0.01 0.00 -0.34 0.00 0.00 178.44 178.34 3bxx h ASN 236 N -0.74 0.16 0.54 0.00 -0.26 -0.72 -0.94 115.58 113.63 3bxx h ASN 236 Ca -0.00 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 3bxx h ASN 236 Cb 0.68 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 3bxx h ASN 236 CO 0.00 0.09 -0.61 0.00 -1.06 0.00 0.00 177.43 175.85 3bxx h ALA 237 N 1.70 0.94 -0.23 -0.83 0.00 -0.84 0.34 119.26 120.33 3bxx h ALA 237 Ca 0.29 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3bxx h ALA 237 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3bxx h ALA 237 CO -0.05 0.76 -0.14 0.45 0.00 0.00 0.00 179.25 180.27 3bxx h HIS 238 N 0.05 0.59 -0.16 0.00 3.86 -0.56 -1.48 115.15 117.46 3bxx h HIS 238 Ca -0.01 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 3bxx h HIS 238 Cb 1.10 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3bxx h HIS 238 CO 0.01 0.79 0.04 0.82 0.86 0.00 0.00 177.93 180.45 3bxx h ILE 239 N 0.21 1.21 -0.72 2.45 2.04 -1.35 -2.13 117.51 119.21 3bxx h ILE 239 Ca 0.05 -0.65 0.12 0.00 1.00 0.00 0.00 64.86 65.38 3bxx h ILE 239 Cb 0.66 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.98 3bxx h ILE 239 CO 0.04 0.20 0.30 0.22 0.00 0.00 0.00 178.15 178.91 3bxx h TYR 240 N 0.07 0.52 0.00 1.37 3.20 -0.35 0.64 116.97 122.43 3bxx h TYR 240 Ca 0.05 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3bxx h TYR 240 Cb 0.27 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3bxx h TYR 240 CO 0.01 0.11 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.34 3bxx h LEU 241 N 0.48 0.00 0.06 2.82 3.38 -1.26 -0.45 115.31 120.33 3bxx h LEU 241 Ca 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3bxx h LEU 241 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3bxx h LEU 241 CO -0.35 0.23 -0.03 0.15 0.09 0.00 0.00 178.44 178.53 3bxx h PHE 242 N 0.00 -0.07 0.00 1.13 3.57 -1.02 -3.36 116.94 117.19 3bxx h PHE 242 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3bxx h PHE 242 Cb 1.18 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3bxx h PHE 242 CO 0.00 0.43 0.00 0.39 -2.23 0.00 0.00 178.31 176.90 3bxx n GLU 243 N -4.87 0.18 -3.16 1.11 1.02 0.19 -4.73 120.64 110.38 3bxx n GLU 243 Ca -0.09 0.29 -0.44 0.00 -0.02 0.00 0.00 57.16 56.91 3bxx n GLU 243 Cb 0.27 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 3bxx n GLU 243 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bxx s ASN 244 N -4.10 6.24 0.54 1.62 3.84 -0.19 -4.96 114.94 117.93 3bxx s ASN 244 Ca 0.08 -0.81 0.22 0.00 0.21 0.00 0.00 52.86 52.56 3bxx s ASN 244 Cb 0.11 -2.29 1.49 0.00 -0.55 0.00 0.00 41.25 40.01 3bxx s ASN 244 CO 0.47 -0.86 2.18 -0.65 -2.79 0.00 0.00 177.10 175.45 3bxx h PRO 245 N 8.96 0.00 0.00 0.43 0.11 -1.90 -2.25 132.00 137.36 3bxx h PRO 245 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3bxx h PRO 245 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bxx h PRO 245 CO 0.94 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.38 3bxx n LYS 246 N -4.20 0.13 -1.72 1.05 5.02 -1.26 -4.87 118.16 112.30 3bxx n LYS 246 Ca -0.03 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3bxx n LYS 246 Cb 0.10 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 3bxx n LYS 246 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bxx s ALA 247 N -3.09 3.91 0.06 7.82 0.00 -0.85 -5.01 121.76 124.59 3bxx s ALA 247 Ca 0.10 1.56 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 3bxx s ALA 247 Cb 0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3bxx s ALA 247 CO 0.48 -0.99 0.05 -1.83 0.00 0.00 0.00 175.76 173.47 3bxx s GLU 248 N 1.52 0.65 5.18 0.00 4.04 -1.26 -5.01 118.70 123.82 3bxx s GLU 248 Ca 0.76 -1.03 0.00 0.00 0.04 0.00 0.00 54.97 54.74 3bxx s GLU 248 Cb -0.49 0.24 0.00 0.00 0.02 0.00 0.00 34.13 33.90 3bxx s GLU 248 CO 0.33 -0.16 0.00 0.41 -1.84 0.00 0.00 175.26 174.00 3bxx n GLY 249 N 0.27 2.16 3.95 -3.83 0.00 -1.26 -4.81 105.19 101.66 3bxx n GLY 249 Ca -0.16 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 3.28 -0.28 1.61 0.52 -1.26 -2.89 118.95 119.92 3bxx s ARG 250 Ca 0.00 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3bxx s ARG 250 Cb 0.00 -2.60 0.17 0.00 0.52 0.00 0.00 34.95 33.04 3bxx s ARG 250 CO 0.00 -0.08 0.47 0.71 0.02 0.00 0.00 175.30 176.42 3bxx s TYR 251 N -2.46 -1.26 0.32 -0.53 2.02 -0.59 -4.92 117.35 109.93 3bxx s TYR 251 Ca 0.45 0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 57.67 3bxx s TYR 251 Cb -0.10 0.10 -0.10 0.00 -0.40 0.00 0.00 41.96 41.46 3bxx s TYR 251 CO 0.37 -0.94 1.20 0.42 -1.57 0.00 0.00 175.55 175.03 3bxx s ILE 252 N 2.66 3.11 -0.52 2.71 1.01 -1.26 -2.56 121.20 126.34 3bxx s ILE 252 Ca 0.12 1.09 0.05 0.00 0.00 0.00 0.00 60.65 61.92 3bxx s ILE 252 Cb -0.13 -3.69 0.19 0.00 0.01 0.00 0.00 42.46 38.84 3bxx s ILE 252 CO -0.25 0.24 0.45 0.00 0.00 0.00 0.00 174.94 175.39 3bxx s SER 254 N -0.83 2.57 -0.00 0.00 0.15 -1.26 -3.29 113.70 111.04 3bxx s SER 254 Ca 0.32 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.60 3bxx s SER 254 Cb 0.05 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 3bxx s SER 254 CO -0.16 0.27 0.12 -1.54 1.20 0.00 0.00 173.24 173.13 3bxx n SER 255 N 2.55 0.45 -3.87 5.45 3.41 0.26 -4.32 113.62 117.56 3bxx n SER 255 Ca -0.15 -0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 57.84 3bxx n SER 255 Cb 0.52 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.41 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 -1.34 0.16 -0.29 7.33 3.76 -1.08 -4.99 115.29 118.84 3bxx s HIS 256 Ca 0.01 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 3bxx s HIS 256 Cb 0.02 -0.07 0.19 0.00 1.11 0.00 0.00 32.58 33.82 3bxx s HIS 256 CO 0.12 -0.53 0.53 0.16 -0.85 0.00 0.00 174.74 174.17 3bxx s ASP 257 N -2.82 -0.96 0.00 1.40 -4.77 -1.26 -0.90 116.67 107.36 3bxx s ASP 257 Ca 0.04 0.06 0.02 0.00 -3.30 0.00 0.00 52.55 49.37 3bxx s ASP 257 Cb 0.05 1.74 -0.01 0.00 -1.09 0.00 0.00 42.92 43.61 3bxx s ASP 257 CO -0.11 -0.31 -0.06 0.00 0.70 0.00 0.00 175.17 175.39 3bxx n ILE 259 N 2.76 0.00 -0.32 0.00 -5.35 -1.26 -3.56 119.36 111.63 3bxx n ILE 259 Ca -0.14 -0.03 0.27 0.00 -0.27 0.00 0.00 62.75 62.58 3bxx n ILE 259 Cb 0.58 -0.99 0.58 0.00 -1.74 0.00 0.00 39.64 38.07 3bxx n ILE 259 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3bxx h ILE 260 N -1.94 0.48 -0.43 7.28 2.10 -0.98 -2.08 117.51 121.94 3bxx h ILE 260 Ca -0.44 -0.09 0.02 0.00 1.08 0.00 0.00 64.86 65.44 3bxx h ILE 260 Cb 1.27 0.19 -0.03 0.00 -1.09 0.00 0.00 36.82 37.16 3bxx h ILE 260 CO 0.41 0.05 0.24 -0.07 -1.08 0.00 0.00 178.15 177.70 3bxx h LEU 261 N 0.26 0.38 -0.92 2.19 4.07 -1.90 0.59 115.31 119.99 3bxx h LEU 261 Ca 0.59 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.48 3bxx h LEU 261 Cb 1.75 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.40 3bxx h LEU 261 CO -0.22 0.27 -0.05 0.44 -1.08 0.00 0.00 178.44 177.81 3bxx h ASP 262 N 0.49 0.72 0.13 -0.43 5.19 -1.71 0.21 116.42 121.02 3bxx h ASP 262 Ca 0.18 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3bxx h ASP 262 Cb 0.04 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.36 3bxx h ASP 262 CO -0.10 0.82 -0.06 0.25 -3.12 0.00 0.00 179.24 177.03 3bxx h LEU 263 N 0.69 -0.15 -0.56 1.55 5.85 -1.31 0.16 115.31 121.54 3bxx h LEU 263 Ca 0.13 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3bxx h LEU 263 Cb 0.49 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3bxx h LEU 263 CO 0.03 0.15 0.36 0.00 -0.34 0.00 0.00 178.44 178.64 3bxx h ALA 264 N 0.36 0.71 -0.59 1.25 0.00 -0.81 0.14 119.26 120.33 3bxx h ALA 264 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bxx h ALA 264 Cb 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3bxx h ALA 264 CO 0.03 0.12 0.32 -0.22 0.00 0.00 0.00 179.25 179.49 3bxx h LYS 265 N 0.73 0.58 -0.38 0.00 3.64 -0.99 0.24 116.57 120.40 3bxx h LYS 265 Ca 0.21 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3bxx h LYS 265 Cb -0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3bxx h LYS 265 CO -0.06 0.38 0.10 1.98 -2.27 0.00 0.00 179.45 179.58 3bxx h MET 266 N 0.60 0.60 -0.42 1.90 4.05 0.60 -2.68 114.93 119.58 3bxx h MET 266 Ca 0.26 -0.14 -0.09 0.00 -0.28 0.00 0.00 59.70 59.44 3bxx h MET 266 Cb 0.15 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3bxx h MET 266 CO -0.16 0.63 -0.10 -0.07 0.23 0.00 0.00 176.91 177.43 3bxx h LEU 267 N 0.47 0.82 -0.82 3.39 3.38 -0.59 -3.24 115.31 118.71 3bxx h LEU 267 Ca 0.12 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 57.88 3bxx h LEU 267 Cb 0.29 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 3bxx h LEU 267 CO -0.00 0.99 0.39 -0.09 0.09 0.00 0.00 178.44 179.82 3bxx h ARG 268 N 0.63 0.54 -0.24 1.13 2.43 -0.66 0.42 114.38 118.64 3bxx h ARG 268 Ca 0.11 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 3bxx h ARG 268 Cb 0.63 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3bxx h ARG 268 CO 0.04 0.36 -0.29 0.93 -1.51 0.00 0.00 179.97 179.50 3bxx h GLU 269 N 0.56 0.47 0.00 0.20 5.08 -1.52 -3.03 114.58 116.34 3bxx h GLU 269 Ca 0.45 -0.19 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3bxx h GLU 269 Cb 0.66 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3bxx h GLU 269 CO -0.38 0.72 -1.23 -0.22 -1.00 0.00 0.00 179.01 176.90 3bxx h LYS 270 N 0.41 0.00 -2.10 2.33 3.64 -1.17 -3.41 116.57 116.27 3bxx h LYS 270 Ca 0.06 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.90 3bxx h LYS 270 Cb 0.71 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.13 3bxx h LYS 270 CO 0.05 0.72 -0.95 0.66 -2.27 0.00 0.00 179.45 177.66 3bxx n TYR 271 N -3.20 1.60 -0.24 1.91 4.01 0.13 -4.95 117.16 116.43 3bxx n TYR 271 Ca -0.06 -3.87 0.15 0.00 -0.16 0.00 0.00 57.90 53.96 3bxx n TYR 271 Cb 0.95 -0.44 0.45 0.00 -0.31 0.00 0.00 39.34 39.99 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 3.32 0.52 -0.25 -0.72 0.13 -1.77 -1.49 132.00 131.73 3bxx h PRO 272 Ca 0.12 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 3bxx h PRO 272 Cb 0.78 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 3bxx h PRO 272 CO 0.62 0.34 0.43 1.05 -0.23 0.00 0.00 178.00 180.22 3bxx h GLU 273 N 0.54 0.00 -5.51 0.86 9.09 -1.92 -3.36 114.58 114.28 3bxx h GLU 273 Ca 0.45 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 59.26 3bxx h GLU 273 Cb 0.92 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.92 3bxx h GLU 273 CO -0.19 0.00 -0.13 0.71 0.05 0.00 0.00 179.01 179.45 3bxx s TYR 274 N -4.40 3.39 -0.03 2.06 2.02 -0.56 -0.58 117.35 119.25 3bxx s TYR 274 Ca -0.04 0.71 -0.30 0.00 -0.37 0.00 0.00 57.07 57.08 3bxx s TYR 274 Cb 0.12 -2.59 -0.07 0.00 -0.40 0.00 0.00 41.96 39.03 3bxx s TYR 274 CO 0.43 -0.02 1.85 0.54 -1.57 0.00 0.00 175.55 176.77 3bxx s ASN 275 N 1.03 6.45 -0.13 2.29 6.03 -1.26 -4.96 114.94 124.39 3bxx s ASN 275 Ca 0.22 2.38 0.03 0.00 -1.03 0.00 0.00 52.86 54.45 3bxx s ASN 275 Cb -0.15 -2.53 0.01 0.00 -3.03 0.00 0.00 41.25 35.55 3bxx s ASN 275 CO 0.09 -1.09 -0.21 -0.63 -2.03 0.00 0.00 177.10 173.22 3bxx s ILE 276 N 4.65 1.99 0.21 0.54 1.01 -1.26 -4.86 121.20 123.47 3bxx s ILE 276 Ca 0.83 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 60.22 3bxx s ILE 276 Cb -0.37 -1.75 -0.11 0.00 0.01 0.00 0.00 42.46 40.24 3bxx s ILE 276 CO 0.36 0.54 1.60 -2.16 0.00 0.00 0.00 174.94 175.28 3bxx s PRO 277 N 0.77 4.18 0.00 2.79 0.04 -1.26 -4.86 135.00 136.66 3bxx s PRO 277 Ca -0.09 2.47 0.17 0.00 0.04 0.00 0.00 61.00 63.59 3bxx s PRO 277 Cb -0.16 -3.10 0.88 0.00 0.04 0.00 0.00 34.50 32.16 3bxx s PRO 277 CO -0.00 -0.63 1.58 0.25 0.04 0.00 0.00 177.00 178.24 3bxx n THR 278 N 3.47 0.07 -4.01 1.26 -2.24 -1.26 -4.85 114.28 106.72 3bxx n THR 278 Ca 0.13 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3bxx n THR 278 Cb 0.37 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.93 0.21 -0.05 -0.78 0.41 -1.26 -5.06 118.70 110.24 3bxx s GLU 279 Ca 0.26 -0.09 0.01 0.00 -0.41 0.00 0.00 54.97 54.74 3bxx s GLU 279 Cb 0.13 -0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.29 3bxx s GLU 279 CO 0.20 0.05 -0.05 -0.06 -0.49 0.00 0.00 175.26 174.92 3bxx s PHE 280 N -0.05 0.82 0.07 1.61 0.08 -1.26 -5.10 117.98 114.14 3bxx s PHE 280 Ca 0.01 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.51 3bxx s PHE 280 Cb -0.01 -0.73 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 3bxx s PHE 280 CO -0.00 -0.22 1.37 0.21 -0.10 0.00 0.00 175.22 176.48 3bxx s LYS 281 N 1.03 4.32 0.00 0.44 2.20 -1.26 -1.04 119.74 125.43 3bxx s LYS 281 Ca -0.09 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 3bxx s LYS 281 Cb -0.14 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3bxx s LYS 281 CO -0.00 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3bxx n GLY 282 N 3.51 0.79 3.11 5.54 0.00 -1.26 -5.01 105.19 111.87 3bxx n GLY 282 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.29 2.96 0.54 1.61 1.01 -0.20 -5.10 120.40 117.93 3bxx s VAL 283 Ca 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.05 3bxx s VAL 283 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.44 3bxx s VAL 283 CO 0.00 -0.52 0.75 1.51 0.00 0.00 0.00 175.10 176.84 3bxx s ASP 284 N 1.47 5.26 0.00 3.32 3.84 -1.26 -4.55 116.67 124.75 3bxx s ASP 284 Ca 0.05 -0.16 0.29 0.00 -0.00 0.00 0.00 52.55 52.74 3bxx s ASP 284 Cb -0.21 -0.70 1.31 0.00 -1.38 0.00 0.00 42.92 41.94 3bxx s ASP 284 CO -0.04 -1.14 1.90 1.21 -0.00 0.00 0.00 175.17 177.09 3bxx n GLU 285 N -2.28 1.17 -0.40 2.11 2.13 -1.26 -2.41 120.64 119.69 3bxx n GLU 285 Ca 0.09 -0.48 0.11 0.00 0.66 0.00 0.00 57.16 57.54 3bxx n GLU 285 Cb 0.60 -1.49 0.32 0.00 0.27 0.00 0.00 31.44 31.14 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 -0.50 3.94 -4.60 4.31 3.02 -1.26 -4.88 115.26 115.30 3bxx n ASN 286 Ca 0.19 -2.07 -0.43 0.00 -0.03 0.00 0.00 54.58 52.24 3bxx n ASN 286 Cb 0.27 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.13 3.54 0.69 3.41 0.20 -1.01 -4.99 118.68 119.40 3bxx s LEU 287 Ca 0.48 1.06 -0.13 0.00 0.69 0.00 0.00 54.13 56.23 3bxx s LEU 287 Cb 0.26 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.51 3bxx s LEU 287 CO 0.31 -1.57 1.09 -0.75 -0.29 0.00 0.00 176.35 175.14 3bxx s LYS 288 N 5.29 2.72 -0.10 1.98 2.36 -1.26 -4.86 119.74 125.86 3bxx s LYS 288 Ca 0.70 1.23 -0.15 0.00 -2.55 0.00 0.00 55.97 55.20 3bxx s LYS 288 Cb -0.18 -1.95 -0.05 0.00 -1.05 0.00 0.00 37.83 34.60 3bxx s LYS 288 CO 0.33 -1.30 0.38 0.45 1.55 0.00 0.00 175.35 176.77 3bxx s SER 289 N -3.03 6.62 -0.28 1.43 0.15 -1.26 -4.87 113.70 112.46 3bxx s SER 289 Ca 0.63 0.73 -0.15 0.00 0.70 0.00 0.00 55.95 57.86 3bxx s SER 289 Cb -0.18 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3bxx s SER 289 CO 0.47 0.13 0.38 -0.69 1.20 0.00 0.00 173.24 174.74 3bxx s VAL 290 N 0.08 5.17 0.01 4.45 1.01 -1.26 -4.91 120.40 124.95 3bxx s VAL 290 Ca 0.22 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 3bxx s VAL 290 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3bxx s VAL 290 CO 0.09 0.12 0.34 0.00 0.00 0.00 0.00 175.10 175.65 3bxx s PHE 292 N -1.23 3.28 -0.64 0.00 0.40 -1.26 -0.63 117.98 117.90 3bxx s PHE 292 Ca 0.27 -1.12 -0.26 0.00 -0.60 0.00 0.00 56.93 55.21 3bxx s PHE 292 Cb -0.14 -3.06 -0.08 0.00 0.51 0.00 0.00 43.02 40.25 3bxx s PHE 292 CO 0.14 -0.80 2.27 0.45 0.70 0.00 0.00 175.22 177.98 3bxx s SER 293 N 2.38 4.49 0.00 1.36 0.15 0.18 -4.60 113.70 117.66 3bxx s SER 293 Ca 0.04 0.49 0.04 0.00 0.70 0.00 0.00 55.95 57.22 3bxx s SER 293 Cb -0.24 -2.53 0.25 0.00 -1.71 0.00 0.00 66.02 61.80 3bxx s SER 293 CO 0.05 -3.06 0.65 -1.20 1.20 0.00 0.00 173.24 170.88 3bxx n SER 294 N 15.97 0.00 -0.29 5.45 7.64 -1.26 -4.49 113.62 136.63 3bxx n SER 294 Ca 0.37 -0.62 -0.00 0.00 1.01 0.00 0.00 58.87 59.63 3bxx n SER 294 Cb 0.50 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.90 3bxx n SER 294 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3bxx h LYS 295 N 0.00 1.12 -0.89 1.43 3.64 -1.89 -1.09 116.57 118.90 3bxx h LYS 295 Ca 0.00 -0.07 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 3bxx h LYS 295 Cb 0.00 -0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 31.46 3bxx h LYS 295 CO 0.00 0.74 0.45 -0.22 -2.27 0.00 0.00 179.45 178.15 3bxx h LYS 296 N 1.16 0.54 -0.01 1.90 3.64 -1.93 -0.03 116.57 121.84 3bxx h LYS 296 Ca 0.32 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 3bxx h LYS 296 Cb -0.10 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3bxx h LYS 296 CO -0.08 0.36 -0.86 1.25 -2.27 0.00 0.00 179.45 177.85 3bxx h LEU 297 N 0.56 0.77 -0.94 5.20 5.85 -1.49 -3.20 115.31 122.06 3bxx h LEU 297 Ca 0.52 -0.74 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 3bxx h LEU 297 Cb 0.85 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3bxx h LEU 297 CO -0.43 1.41 -0.32 0.71 -0.34 0.00 0.00 178.44 179.48 3bxx h THR 298 N 0.21 1.28 0.00 1.05 1.35 -1.04 -2.87 112.91 112.89 3bxx h THR 298 Ca -0.11 -1.36 -0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3bxx h THR 298 Cb 1.54 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3bxx h THR 298 CO 0.17 0.42 -0.00 0.44 -0.25 0.00 0.00 175.52 176.30 3bxx h ASP 299 N 0.33 0.00 0.90 5.36 3.32 -1.09 -1.56 116.42 123.68 3bxx h ASP 299 Ca 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3bxx h ASP 299 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3bxx h ASP 299 CO 0.06 0.00 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.26 3bxx h LEU 300 N 0.00 0.00 0.00 1.55 3.38 -1.50 -3.47 115.31 115.27 3bxx h LEU 300 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bxx h LEU 300 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3bxx h LEU 300 CO 0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 3bxx n GLY 301 N 0.15 2.01 3.61 0.83 0.00 -0.59 -5.11 105.19 106.10 3bxx n GLY 301 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.13 1.60 -3.97 1.61 7.35 -1.19 -4.99 117.46 117.74 3bxx n PHE 302 Ca 0.00 0.60 -0.30 0.00 -0.76 0.00 0.00 57.45 56.99 3bxx n PHE 302 Cb 0.00 -2.34 -0.16 0.00 0.35 0.00 0.00 39.48 37.33 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 -0.51 1.94 0.25 -4.13 2.02 -1.26 -4.25 118.70 112.76 3bxx s GLU 303 Ca 0.70 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 3bxx s GLU 303 Cb -0.77 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 3bxx s GLU 303 CO 0.52 -0.36 1.42 -0.06 0.02 0.00 0.00 175.26 176.80 3bxx s PHE 304 N 1.50 3.03 -0.76 1.61 0.08 -1.26 -4.96 117.98 117.22 3bxx s PHE 304 Ca 0.02 1.08 0.12 0.00 0.12 0.00 0.00 56.93 58.27 3bxx s PHE 304 Cb -0.15 -3.79 -0.09 0.00 -0.57 0.00 0.00 43.02 38.42 3bxx s PHE 304 CO -0.09 -2.54 0.59 1.63 -0.10 0.00 0.00 175.22 174.71 3bxx n LYS 305 N 2.19 2.64 -4.28 0.44 4.76 -1.26 -5.02 118.16 117.64 3bxx n LYS 305 Ca 0.06 -0.22 -0.19 0.00 -2.87 0.00 0.00 58.31 55.10 3bxx n LYS 305 Cb 0.41 -1.10 -0.15 0.00 -1.84 0.00 0.00 35.03 32.34 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 -1.98 0.74 0.71 2.13 1.51 -1.26 -5.13 117.35 114.07 3bxx s TYR 306 Ca 0.06 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 3bxx s TYR 306 Cb 0.10 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.44 3bxx s TYR 306 CO 0.45 -0.07 1.09 -1.54 -1.11 0.00 0.00 175.55 174.37 3bxx s SER 307 N 0.16 5.31 0.25 2.29 1.04 -1.26 -4.76 113.70 116.72 3bxx s SER 307 Ca -0.02 1.03 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3bxx s SER 307 Cb -0.07 -1.80 0.43 0.00 0.10 0.00 0.00 66.02 64.69 3bxx s SER 307 CO 0.00 -1.41 1.63 0.25 0.98 0.00 0.00 173.24 174.69 3bxx h LEU 308 N -0.67 -0.40 -0.96 2.42 5.85 -1.99 -1.18 115.31 118.37 3bxx h LEU 308 Ca -0.45 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3bxx h LEU 308 Cb 1.27 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3bxx h LEU 308 CO 0.64 -0.20 0.23 -0.33 -0.34 0.00 0.00 178.44 178.44 3bxx h GLU 309 N 0.08 0.98 0.44 1.25 3.07 -1.98 -2.61 114.58 115.81 3bxx h GLU 309 Ca 0.41 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 3bxx h GLU 309 Cb 0.72 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3bxx h GLU 309 CO -0.69 0.83 -0.21 -0.44 -1.40 0.00 0.00 179.01 177.09 3bxx h ASP 310 N 0.96 -0.50 -0.27 1.42 3.32 -1.58 0.06 116.42 119.83 3bxx h ASP 310 Ca 0.22 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.34 3bxx h ASP 310 Cb 0.23 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 3bxx h ASP 310 CO -0.01 -0.36 -0.41 0.24 -1.72 0.00 0.00 179.24 176.98 3bxx h MET 311 N -0.59 -0.38 0.00 3.56 2.86 -1.34 0.16 114.93 119.19 3bxx h MET 311 Ca -0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3bxx h MET 311 Cb 0.45 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3bxx h MET 311 CO 0.10 -0.25 0.00 1.19 1.06 0.00 0.00 176.91 179.01 3bxx n PHE 312 N -5.42 0.82 0.04 -0.22 3.01 -1.00 -1.19 117.46 113.50 3bxx n PHE 312 Ca -0.02 0.32 0.02 0.00 1.01 0.00 0.00 57.45 58.78 3bxx n PHE 312 Cb 0.35 -1.01 -0.07 0.00 -0.01 0.00 0.00 39.48 38.74 3bxx n PHE 312 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3bxx n THR 313 N -2.24 1.03 -0.17 4.37 -2.24 -0.01 -2.35 114.28 112.68 3bxx n THR 313 Ca 0.02 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 3bxx n THR 313 Cb 0.24 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3bxx n THR 313 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bxx h GLY 314 N 3.80 1.02 0.27 3.38 0.00 -0.08 -2.18 103.07 109.26 3bxx h GLY 314 Ca -0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3bxx h GLY 314 CO 0.03 0.77 -0.04 0.00 0.00 0.00 0.00 176.54 177.30 3bxx h ALA 315 N 0.89 0.01 0.17 3.60 0.00 -0.15 -1.77 119.26 122.00 3bxx h ALA 315 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3bxx h ALA 315 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3bxx h ALA 315 CO 0.05 -0.08 -0.34 0.28 0.00 0.00 0.00 179.25 179.16 3bxx h VAL 316 N -0.73 0.29 0.20 0.00 2.07 -1.59 -1.79 116.25 114.71 3bxx h VAL 316 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3bxx h VAL 316 Cb 0.81 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3bxx h VAL 316 CO 0.01 0.00 -0.43 0.44 0.02 0.00 0.00 177.57 177.61 3bxx h ASP 317 N -0.59 -1.27 -1.00 0.57 3.32 -1.51 -0.48 116.42 115.47 3bxx h ASP 317 Ca 0.02 0.12 0.17 0.00 0.02 0.00 0.00 57.03 57.36 3bxx h ASP 317 Cb 0.60 0.45 -0.10 0.00 0.22 0.00 0.00 39.33 40.50 3bxx h ASP 317 CO -0.16 -0.49 0.62 0.74 -1.72 0.00 0.00 179.24 178.22 3bxx h THR 318 N -0.69 0.76 0.43 0.35 2.02 -1.32 -0.55 112.91 113.90 3bxx h THR 318 Ca -0.02 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3bxx h THR 318 Cb 0.66 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3bxx h THR 318 CO -0.18 0.15 -0.20 0.00 0.37 0.00 0.00 175.52 175.66 3bxx h ARG 320 N -0.80 -0.06 0.22 0.00 3.08 -0.30 0.74 114.38 117.26 3bxx h ARG 320 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3bxx h ARG 320 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3bxx h ARG 320 CO 0.10 -0.04 -0.45 0.00 -1.07 0.00 0.00 179.97 178.50 3bxx h ALA 321 N 1.45 -1.00 0.00 0.04 0.00 -1.14 -2.53 119.26 116.08 3bxx h ALA 321 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3bxx h ALA 321 Cb 0.53 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3bxx h ALA 321 CO -0.71 -1.08 0.00 0.87 0.00 0.00 0.00 179.25 178.33 3bxx h LYS 322 N -0.73 0.00 -0.71 0.00 1.57 -1.01 -3.47 116.57 112.21 3bxx h LYS 322 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3bxx h LYS 322 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3bxx h LYS 322 CO -0.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.10 3bxx n GLY 323 N -0.35 0.93 0.04 3.86 0.00 0.25 -5.01 105.19 104.91 3bxx n GLY 323 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 3bxx n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bxx n LEU 324 N -0.35 0.00 -4.73 0.99 4.77 -1.01 -4.86 117.00 111.80 3bxx n LEU 324 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3bxx n LEU 324 Cb 0.41 0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3bxx n LEU 324 CO 0.00 0.17 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.22 3bxx s LEU 325 N -4.46 3.88 0.84 2.23 1.43 -1.26 -5.03 118.68 116.31 3bxx s LEU 325 Ca -0.05 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.17 3bxx s LEU 325 Cb 0.05 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.44 3bxx s LEU 325 CO 0.49 0.34 1.12 -2.84 0.23 0.00 0.00 176.35 175.70 3bxx s PRO 326 N -0.64 1.65 0.55 1.29 0.02 -1.26 -4.15 135.00 132.47 3bxx s PRO 326 Ca 0.11 1.37 0.28 0.00 0.02 0.00 0.00 61.00 62.78 3bxx s PRO 326 Cb -0.12 -1.81 1.61 0.00 0.02 0.00 0.00 34.50 34.20 3bxx s PRO 326 CO 0.02 -2.13 2.16 -1.35 -0.33 0.00 0.00 177.00 175.38 3bxx h PRO 327 N -1.46 0.00 -2.70 5.54 0.11 -1.99 -3.47 132.00 128.04 3bxx h PRO 327 Ca -0.43 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3bxx h PRO 327 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3bxx h PRO 327 CO 0.46 0.06 0.48 -1.54 -0.21 0.00 0.00 178.00 177.25 3bxx s SER 328 N -6.22 0.00 0.00 -2.05 1.04 -1.26 -4.88 113.70 100.33 3bxx s SER 328 Ca -0.04 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.58 3bxx s SER 328 Cb 0.14 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.91 3bxx s SER 328 CO 0.57 -1.24 0.58 1.41 0.98 0.00 0.00 173.24 175.55