#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 4.13 0.05 3.84 2.01 -1.25 -3.08 115.64 121.34 3bxx s THR 7 Ca 0.00 2.00 0.05 0.00 0.31 0.00 0.00 61.69 64.05 3bxx s THR 7 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3bxx s THR 7 CO 0.00 0.46 -0.13 0.68 -0.69 0.00 0.00 174.62 174.94 3bxx s VAL 8 N -1.22 1.05 0.50 3.82 -7.23 -0.98 -1.41 120.40 114.93 3bxx s VAL 8 Ca 0.41 -1.12 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 3bxx s VAL 8 Cb -0.25 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.64 3bxx s VAL 8 CO 0.30 -0.13 0.91 0.00 -0.31 0.00 0.00 175.10 175.88 3bxx s VAL 10 N -2.68 -0.38 0.15 0.00 1.01 -1.13 -1.30 120.40 116.08 3bxx s VAL 10 Ca 0.55 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 3bxx s VAL 10 Cb -0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 3bxx s VAL 10 CO 0.37 -0.07 0.62 0.42 0.00 0.00 0.00 175.10 176.44 3bxx s THR 11 N 2.37 4.72 -0.08 3.92 -4.23 -1.10 -1.75 115.64 119.49 3bxx s THR 11 Ca 0.05 1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 61.67 3bxx s THR 11 Cb -0.14 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.86 3bxx s THR 11 CO -0.11 0.33 0.06 0.61 -0.54 0.00 0.00 174.62 174.97 3bxx n GLY 12 N 1.06 0.81 0.25 3.99 0.00 -0.55 -0.81 105.19 109.95 3bxx n GLY 12 Ca -0.06 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 0.06 1.70 -0.41 4.61 0.00 -1.53 -2.48 119.26 121.20 3bxx h ALA 13 Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3bxx h ALA 13 Cb 1.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3bxx h ALA 13 CO 0.03 0.23 0.07 0.66 0.00 0.00 0.00 179.25 180.25 3bxx h SER 14 N 0.19 0.64 -3.14 0.00 4.64 -1.80 -2.51 113.55 111.58 3bxx h SER 14 Ca 0.05 -0.25 -0.43 0.00 -0.47 0.00 0.00 61.79 60.69 3bxx h SER 14 Cb 0.20 -0.17 0.22 0.00 -0.31 0.00 0.00 62.40 62.33 3bxx h SER 14 CO 0.01 0.73 -0.03 -0.83 -0.87 0.00 0.00 176.83 175.84 3bxx s GLY 15 N -3.17 1.52 0.17 -0.77 0.00 -0.94 -4.58 107.32 99.55 3bxx s GLY 15 Ca -0.13 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 3bxx s GLY 15 CO 0.78 0.55 1.62 -2.75 0.00 0.00 0.00 173.10 173.29 3bxx h PHE 16 N -2.83 -0.66 0.24 1.90 3.57 -1.89 0.67 116.94 117.93 3bxx h PHE 16 Ca -0.61 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.93 3bxx h PHE 16 Cb 1.34 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.44 3bxx h PHE 16 CO -0.17 -0.33 -0.12 0.82 -2.23 0.00 0.00 178.31 176.29 3bxx h ILE 17 N -0.18 0.00 -0.98 1.41 2.04 -1.93 -3.34 117.51 114.53 3bxx h ILE 17 Ca 0.19 -0.58 0.20 0.00 1.00 0.00 0.00 64.86 65.68 3bxx h ILE 17 Cb 0.48 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.47 3bxx h ILE 17 CO -0.52 0.00 0.62 1.23 0.00 0.00 0.00 178.15 179.48 3bxx h GLY 18 N -0.90 1.48 0.11 5.37 0.00 -1.74 -0.23 103.07 107.16 3bxx h GLY 18 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3bxx h GLY 18 CO 0.05 -0.05 -0.19 1.48 0.00 0.00 0.00 176.54 177.83 3bxx h SER 19 N 0.63 -0.54 -0.64 0.19 4.64 -0.39 0.45 113.55 117.89 3bxx h SER 19 Ca 0.55 0.05 0.13 0.00 -0.47 0.00 0.00 61.79 62.05 3bxx h SER 19 Cb 1.04 0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 3bxx h SER 19 CO -0.32 -0.22 -0.17 -0.25 -0.87 0.00 0.00 176.83 175.01 3bxx h TRP 20 N -0.32 -0.36 -0.70 4.77 2.91 -1.54 0.47 115.95 121.19 3bxx h TRP 20 Ca -0.01 0.06 0.15 0.00 1.13 0.00 0.00 58.89 60.22 3bxx h TRP 20 Cb 0.30 0.26 -0.12 0.00 -0.51 0.00 0.00 29.16 29.08 3bxx h TRP 20 CO -0.25 -0.28 0.02 1.25 -1.03 0.00 0.00 178.44 178.15 3bxx h LEU 21 N -0.01 -0.29 0.51 0.65 5.85 -0.87 -0.27 115.31 120.88 3bxx h LEU 21 Ca 0.30 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 59.17 3bxx h LEU 21 Cb 0.47 0.30 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3bxx h LEU 21 CO -0.66 -0.14 -0.25 0.58 -0.34 0.00 0.00 178.44 177.63 3bxx h VAL 22 N 0.12 0.42 -0.95 1.05 2.07 0.46 0.79 116.25 120.21 3bxx h VAL 22 Ca 0.38 -0.32 0.27 0.00 0.82 0.00 0.00 66.70 67.85 3bxx h VAL 22 Cb 0.64 0.54 -0.14 0.00 -1.52 0.00 0.00 31.29 30.81 3bxx h VAL 22 CO -0.60 0.05 0.42 -0.03 0.02 0.00 0.00 177.57 177.43 3bxx h MET 23 N -0.91 0.29 -0.19 1.57 1.85 -0.88 -0.22 114.93 116.44 3bxx h MET 23 Ca -0.07 -0.02 -0.19 0.00 -0.61 0.00 0.00 59.70 58.81 3bxx h MET 23 Cb 0.61 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.57 3bxx h MET 23 CO 0.12 0.19 -0.66 0.00 -0.40 0.00 0.00 176.91 176.15 3bxx h ARG 24 N 0.30 0.71 -0.64 0.39 2.47 -0.88 -2.20 114.38 114.53 3bxx h ARG 24 Ca 0.64 -0.52 0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3bxx h ARG 24 Cb 1.38 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.75 3bxx h ARG 24 CO -0.62 1.14 0.42 -0.07 0.56 0.00 0.00 179.97 181.40 3bxx h LEU 25 N 0.51 0.73 -1.23 3.04 3.38 0.46 -2.66 115.31 119.55 3bxx h LEU 25 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bxx h LEU 25 Cb 1.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3bxx h LEU 25 CO 0.13 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.37 3bxx n LEU 26 N -4.64 1.78 -1.57 1.67 4.77 -0.22 -2.98 117.00 115.81 3bxx n LEU 26 Ca 0.05 -0.89 -0.03 0.00 -0.03 0.00 0.00 56.01 55.10 3bxx n LEU 26 Cb 0.02 -0.26 0.26 0.00 -2.33 0.00 0.00 43.42 41.12 3bxx n LEU 26 CO 0.35 0.39 0.90 1.21 -1.33 0.00 0.00 177.39 178.92 3bxx n GLU 27 N 0.34 3.00 0.00 3.23 2.13 -0.83 -4.52 120.64 123.99 3bxx n GLU 27 Ca 0.10 -3.05 0.00 0.00 0.66 0.00 0.00 57.16 54.87 3bxx n GLU 27 Cb 0.31 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 29.98 3bxx n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3bxx n ARG 28 N -0.54 0.00 0.00 5.31 0.63 -1.24 -5.02 116.66 115.80 3bxx n ARG 28 Ca 0.36 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 3bxx n ARG 28 Cb 1.22 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 33.68 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 1.68 0.39 3.81 5.14 0.00 -1.24 -5.14 105.19 109.83 3bxx n GLY 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.22 2.95 -0.11 1.61 2.02 -1.16 -4.29 117.35 117.16 3bxx s TYR 30 Ca 0.00 1.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.97 3bxx s TYR 30 Cb 0.00 -3.02 0.02 0.00 -0.40 0.00 0.00 41.96 38.56 3bxx s TYR 30 CO 0.00 -1.54 -0.13 0.99 -1.57 0.00 0.00 175.55 173.30 3bxx s THR 31 N -3.11 1.36 0.20 -0.71 2.01 -1.18 -4.55 115.64 109.66 3bxx s THR 31 Ca 0.60 -0.55 0.11 0.00 0.31 0.00 0.00 61.69 62.16 3bxx s THR 31 Cb -0.14 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3bxx s THR 31 CO 0.54 0.42 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.97 3bxx s VAL 32 N 1.15 2.41 -0.71 3.82 1.01 -1.00 -2.31 120.40 124.78 3bxx s VAL 32 Ca -0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 61.98 59.85 3bxx s VAL 32 Cb -0.14 -2.17 0.18 0.00 0.00 0.00 0.00 36.38 34.25 3bxx s VAL 32 CO -0.03 -0.14 0.56 -0.13 0.00 0.00 0.00 175.10 175.35 3bxx s ARG 33 N -2.76 2.85 0.18 2.72 0.52 0.23 -2.05 118.95 120.65 3bxx s ARG 33 Ca 0.22 -2.70 -0.30 0.00 -0.52 0.00 0.00 55.73 52.43 3bxx s ARG 33 Cb -0.08 -3.87 -0.08 0.00 0.52 0.00 0.00 34.95 31.44 3bxx s ARG 33 CO 0.11 -1.21 1.30 0.00 0.02 0.00 0.00 175.30 175.52 3bxx s ALA 34 N -0.33 3.52 -0.11 2.13 0.00 0.92 -2.82 121.76 125.06 3bxx s ALA 34 Ca 0.19 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.24 3bxx s ALA 34 Cb -0.16 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 3bxx s ALA 34 CO -0.06 -0.52 -0.15 0.95 0.00 0.00 0.00 175.76 175.98 3bxx s THR 35 N 0.29 2.89 0.39 0.00 -4.23 -0.72 -0.08 115.64 114.18 3bxx s THR 35 Ca 0.57 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 3bxx s THR 35 Cb -0.36 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 3bxx s THR 35 CO 0.36 0.54 0.16 0.68 -0.54 0.00 0.00 174.62 175.83 3bxx s VAL 36 N 0.15 0.45 -0.18 2.29 -7.23 -0.80 -1.48 120.40 113.61 3bxx s VAL 36 Ca -0.08 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 3bxx s VAL 36 Cb -0.15 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 3bxx s VAL 36 CO 0.05 0.00 -0.18 0.54 -0.31 0.00 0.00 175.10 175.20 3bxx n ARG 37 N -0.85 0.42 -3.89 4.82 1.74 -1.26 -1.29 116.66 116.36 3bxx n ARG 37 Ca -0.03 0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.87 3bxx n ARG 37 Cb 0.64 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.68 3bxx n ARG 37 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bxx s ASP 38 N -6.02 4.64 0.61 0.55 2.15 -1.26 -4.69 116.67 112.65 3bxx s ASP 38 Ca -0.24 -3.26 0.20 0.00 0.43 0.00 0.00 52.55 49.68 3bxx s ASP 38 Cb 0.07 -1.68 1.07 0.00 -0.30 0.00 0.00 42.92 42.08 3bxx s ASP 38 CO 0.37 -0.21 1.58 1.55 -0.17 0.00 0.00 175.17 178.30 3bxx h PRO 39 N 6.24 0.00 -0.75 4.34 0.13 -1.93 -2.77 132.00 137.27 3bxx h PRO 39 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3bxx h PRO 39 Cb 0.86 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 3bxx h PRO 39 CO 0.71 0.00 0.09 0.25 -0.23 0.00 0.00 178.00 178.82 3bxx n THR 40 N -2.66 2.17 -3.32 1.56 -2.24 -1.26 -4.75 114.28 103.78 3bxx n THR 40 Ca -0.01 -1.11 -0.40 0.00 -2.27 0.00 0.00 64.05 60.26 3bxx n THR 40 Cb 0.54 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3bxx n THR 40 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3bxx n ASN 41 N 0.25 5.27 -0.23 3.42 2.85 -1.05 -4.91 115.26 120.86 3bxx n ASN 41 Ca 0.25 -3.24 0.21 0.00 -0.11 0.00 0.00 54.58 51.69 3bxx n ASN 41 Cb 1.04 -1.17 0.38 0.00 1.24 0.00 0.00 39.78 41.27 3bxx n ASN 41 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3bxx n VAL 42 N 1.88 -0.22 0.07 3.44 0.31 -1.26 0.31 118.33 122.85 3bxx n VAL 42 Ca 0.25 1.19 -0.12 0.00 -0.01 0.00 0.00 64.34 65.65 3bxx n VAL 42 Cb 0.37 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 3bxx n VAL 42 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3bxx h LYS 43 N 0.00 -0.39 0.00 5.55 3.64 -1.99 -1.49 116.57 121.90 3bxx h LYS 43 Ca 0.53 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3bxx h LYS 43 Cb 1.50 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3bxx h LYS 43 CO -0.40 -0.26 0.00 1.63 -2.27 0.00 0.00 179.45 178.15 3bxx n LYS 44 N -5.37 0.09 0.00 1.90 4.76 0.90 -4.19 118.16 116.25 3bxx n LYS 44 Ca -0.05 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 3bxx n LYS 44 Cb 0.28 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 -1.86 0.00 -0.28 -0.18 0.24 -1.08 -4.38 118.33 110.79 3bxx n VAL 45 Ca 0.02 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.39 3bxx n VAL 45 Cb 0.15 -0.51 0.22 0.00 -1.47 0.00 0.00 33.84 32.22 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 0.53 -0.12 7.34 3.64 -1.44 -1.42 116.57 125.09 3bxx h LYS 46 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3bxx h LYS 46 Cb 0.74 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3bxx h LYS 46 CO 0.00 0.35 -0.14 1.12 -2.27 0.00 0.00 179.45 178.51 3bxx h HIS 47 N 0.54 0.19 0.00 1.91 2.07 -1.82 -1.50 115.15 116.55 3bxx h HIS 47 Ca 0.45 -0.02 -0.10 0.00 -2.85 0.00 0.00 60.37 57.85 3bxx h HIS 47 Cb 0.68 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 3bxx h HIS 47 CO -0.12 0.32 -0.48 -0.07 -3.07 0.00 0.00 177.93 174.52 3bxx h LEU 48 N 0.18 0.00 0.01 6.12 3.38 -1.57 -3.28 115.31 120.14 3bxx h LEU 48 Ca 0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 3bxx h LEU 48 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3bxx h LEU 48 CO 0.02 0.48 -2.17 0.18 0.09 0.00 0.00 178.44 177.04 3bxx n LEU 49 N -3.60 0.65 0.15 1.67 4.77 -1.03 -3.78 117.00 115.83 3bxx n LEU 49 Ca -0.00 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 3bxx n LEU 49 Cb 0.56 0.20 0.56 0.00 -2.33 0.00 0.00 43.42 42.41 3bxx n LEU 49 CO 0.39 0.52 0.84 0.47 -1.33 0.00 0.00 177.39 178.28 3bxx n ASP 50 N -2.92 0.61 -4.69 -1.43 8.00 -0.59 -4.64 116.55 110.89 3bxx n ASP 50 Ca -0.29 0.73 -0.42 0.00 0.71 0.00 0.00 54.79 55.52 3bxx n ASP 50 Cb 1.11 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 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 -4.51 4.37 0.22 0.64 1.43 -1.24 -4.91 118.68 114.68 3bxx s LEU 51 Ca -0.00 2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 3bxx s LEU 51 Cb 0.07 -3.56 -0.16 0.00 0.03 0.00 0.00 46.19 42.57 3bxx s LEU 51 CO 0.27 -0.89 0.94 -0.81 0.23 0.00 0.00 176.35 176.09 3bxx n PRO 52 N 5.55 0.91 -2.01 1.29 -0.04 -1.26 -1.85 135.00 137.59 3bxx n PRO 52 Ca 0.16 0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.87 3bxx n PRO 52 Cb 0.40 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3bxx n PRO 52 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3bxx n LYS 53 N 1.14 -0.50 0.12 0.54 5.02 -1.26 -4.91 118.16 118.31 3bxx n LYS 53 Ca 0.14 0.36 -0.23 0.00 -2.02 0.00 0.00 58.31 56.55 3bxx n LYS 53 Cb 0.27 -4.20 -0.15 0.00 -0.02 0.00 0.00 35.03 30.92 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 0.27 -0.14 -0.75 7.82 0.00 -1.63 -3.18 119.26 121.65 3bxx h ALA 54 Ca -0.15 -0.80 0.02 0.00 0.00 0.00 0.00 54.91 53.98 3bxx h ALA 54 Cb 1.03 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3bxx h ALA 54 CO 0.18 0.60 0.49 0.93 0.00 0.00 0.00 179.25 181.45 3bxx h GLU 55 N 0.00 0.93 0.00 0.00 5.08 -1.86 0.42 114.58 119.15 3bxx h GLU 55 Ca -0.22 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 3bxx h GLU 55 Cb 2.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 3bxx h GLU 55 CO 0.24 0.61 -1.79 0.25 -1.00 0.00 0.00 179.01 177.33 3bxx n THR 56 N -4.44 0.38 0.00 1.13 -2.24 -1.26 -4.72 114.28 103.14 3bxx n THR 56 Ca 0.09 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3bxx n THR 56 Cb 0.08 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3bxx n THR 56 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bxx n HIS 57 N -2.45 0.00 -3.48 4.78 8.25 -1.18 -5.07 115.22 116.06 3bxx n HIS 57 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3bxx n HIS 57 Cb 0.65 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.23 4.45 0.08 2.41 2.96 0.13 -2.37 118.68 124.11 3bxx s LEU 58 Ca 0.00 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 3bxx s LEU 58 Cb 0.00 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3bxx s LEU 58 CO 0.00 0.29 -0.12 0.42 -1.32 0.00 0.00 176.35 175.62 3bxx s THR 59 N -0.88 0.99 0.10 3.68 -4.23 -0.87 -4.80 115.64 109.64 3bxx s THR 59 Ca 0.24 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.44 3bxx s THR 59 Cb -0.16 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3bxx s THR 59 CO 0.13 -0.35 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.93 3bxx s LEU 60 N -1.96 2.77 0.03 4.79 1.43 -1.26 -0.06 118.68 124.42 3bxx s LEU 60 Ca -0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3bxx s LEU 60 Cb -0.08 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3bxx s LEU 60 CO 0.01 0.19 -0.05 0.26 0.23 0.00 0.00 176.35 176.99 3bxx s TRP 61 N -1.13 0.44 -0.53 0.29 0.52 0.89 -4.90 118.94 114.53 3bxx s TRP 61 Ca 0.18 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 3bxx s TRP 61 Cb -0.11 -0.28 0.14 0.00 -1.15 0.00 0.00 33.47 32.07 3bxx s TRP 61 CO 0.10 -0.14 0.37 0.21 0.02 0.00 0.00 176.95 177.51 3bxx s LYS 62 N -1.47 2.46 0.03 4.98 2.20 -1.26 -1.90 119.74 124.80 3bxx s LYS 62 Ca -0.13 -2.05 0.02 0.00 -0.36 0.00 0.00 55.97 53.45 3bxx s LYS 62 Cb -0.10 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 3bxx s LYS 62 CO -0.00 -1.16 -0.08 0.00 -0.36 0.00 0.00 175.35 173.75 3bxx s ALA 63 N 0.81 0.58 -0.03 3.13 0.00 -0.41 -4.99 121.76 120.85 3bxx s ALA 63 Ca 0.11 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3bxx s ALA 63 Cb -0.22 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3bxx s ALA 63 CO -0.03 0.01 -0.11 0.34 0.00 0.00 0.00 175.76 175.97 3bxx s ASP 64 N -1.33 1.48 0.41 0.00 -1.08 -1.26 -4.04 116.67 110.85 3bxx s ASP 64 Ca -0.08 -0.23 0.10 0.00 -0.52 0.00 0.00 52.55 51.83 3bxx s ASP 64 Cb -0.09 -0.39 0.86 0.00 -1.46 0.00 0.00 42.92 41.85 3bxx s ASP 64 CO 0.00 0.09 1.96 -0.07 0.52 0.00 0.00 175.17 177.68 3bxx h LEU 65 N 6.32 0.20 -1.19 -1.34 3.38 -1.96 -1.26 115.31 119.46 3bxx h LEU 65 Ca -0.33 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3bxx h LEU 65 Cb 1.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3bxx h LEU 65 CO 0.48 0.32 -0.01 0.00 0.09 0.00 0.00 178.44 179.32 3bxx h ALA 66 N 1.71 1.00 -2.21 1.53 0.00 -1.97 -3.34 119.26 115.97 3bxx h ALA 66 Ca 0.05 -0.01 -0.75 0.00 0.00 0.00 0.00 54.91 54.20 3bxx h ALA 66 Cb 0.29 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.85 3bxx h ALA 66 CO 0.02 0.01 -0.02 -0.51 0.00 0.00 0.00 179.25 178.75 3bxx s ASP 67 N -5.80 6.35 0.13 0.00 1.01 -0.48 -5.05 116.67 112.83 3bxx s ASP 67 Ca 0.02 -1.94 -0.34 0.00 0.71 0.00 0.00 52.55 51.00 3bxx s ASP 67 Cb 0.08 -2.24 -0.17 0.00 1.01 0.00 0.00 42.92 41.61 3bxx s ASP 67 CO 0.57 -0.86 1.11 1.21 0.21 0.00 0.00 175.17 177.41 3bxx n GLU 68 N 5.26 0.85 0.00 8.23 2.13 -1.26 -1.71 120.64 134.13 3bxx n GLU 68 Ca -0.05 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3bxx n GLU 68 Cb 0.43 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.36 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 2.00 2.65 0.38 8.31 0.00 -1.26 -4.94 105.19 112.34 3bxx n GLY 69 Ca 0.17 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.32 1.61 4.64 -1.63 -2.40 113.55 116.08 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 -0.83 0.49 -0.87 0.00 0.00 176.83 175.62 3bxx n PHE 71 N -2.84 0.08 -0.32 4.77 3.72 -1.26 -4.62 117.46 116.98 3bxx n PHE 71 Ca 0.06 0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.38 3bxx n PHE 71 Cb 0.98 -0.23 -0.09 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.00 -1.86 -0.57 4.37 3.32 -1.78 -2.15 116.42 117.76 3bxx h ASP 72 Ca 0.00 0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3bxx h ASP 72 Cb 0.57 0.81 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 3bxx h ASP 72 CO 0.00 -0.23 0.33 1.05 -1.72 0.00 0.00 179.24 178.67 3bxx h GLU 73 N -0.07 0.77 -0.55 3.56 9.09 -1.86 0.34 114.58 125.86 3bxx h GLU 73 Ca 0.13 -0.07 0.11 0.00 0.05 0.00 0.00 59.36 59.57 3bxx h GLU 73 Cb 0.39 -0.16 -0.11 0.00 -1.65 0.00 0.00 28.75 27.23 3bxx h GLU 73 CO -0.77 0.56 -0.18 0.00 0.05 0.00 0.00 179.01 178.67 3bxx h ALA 74 N 1.16 0.28 0.05 1.06 0.00 -1.74 -2.74 119.26 117.33 3bxx h ALA 74 Ca 0.20 0.21 -0.24 0.00 0.00 0.00 0.00 54.91 55.08 3bxx h ALA 74 Cb -0.00 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3bxx h ALA 74 CO -0.04 -0.49 -1.11 0.82 0.00 0.00 0.00 179.25 178.44 3bxx h ILE 75 N -0.05 1.62 -1.02 0.00 2.04 -0.48 -3.43 117.51 116.18 3bxx h ILE 75 Ca 0.26 -3.27 -0.82 0.00 1.00 0.00 0.00 64.86 62.02 3bxx h ILE 75 Cb 0.45 2.88 0.03 0.00 -0.74 0.00 0.00 36.82 39.45 3bxx h ILE 75 CO -0.60 0.94 0.33 0.29 0.00 0.00 0.00 178.15 179.12 3bxx n LYS 76 N -3.42 0.04 0.00 2.37 5.02 0.10 -2.81 118.16 119.46 3bxx n LYS 76 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3bxx n LYS 76 Cb 0.98 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 2.57 2.42 3.78 0.72 0.00 -1.26 -4.97 105.19 108.45 3bxx n GLY 77 Ca 0.25 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.47 0.15 -3.89 0.00 -2.24 -0.50 -2.57 114.28 101.77 3bxx n THR 79 Ca 0.08 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3bxx n THR 79 Cb 0.54 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.48 0.09 -0.07 3.38 0.00 -1.25 -2.33 107.32 103.66 3bxx s GLY 80 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3bxx s GLY 80 CO 0.77 -0.49 -0.05 0.14 0.00 0.00 0.00 173.10 173.47 3bxx s VAL 81 N -2.21 0.72 -0.95 1.40 1.01 -1.21 -0.88 120.40 118.27 3bxx s VAL 81 Ca -0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3bxx s VAL 81 Cb -0.03 -0.75 0.24 0.00 0.00 0.00 0.00 36.38 35.84 3bxx s VAL 81 CO -0.02 0.29 0.91 -0.36 0.00 0.00 0.00 175.10 175.92 3bxx s PHE 82 N 1.31 3.99 -0.61 5.22 0.08 -0.42 -2.09 117.98 125.46 3bxx s PHE 82 Ca -0.04 -2.39 -0.26 0.00 0.12 0.00 0.00 56.93 54.36 3bxx s PHE 82 Cb -0.14 -3.78 -0.09 0.00 -0.57 0.00 0.00 43.02 38.45 3bxx s PHE 82 CO -0.03 -0.95 2.36 -1.58 -0.10 0.00 0.00 175.22 174.92 3bxx s HIS 83 N -0.58 1.15 -0.22 0.36 5.65 -0.93 -2.70 115.29 118.03 3bxx s HIS 83 Ca 0.24 1.64 0.11 0.00 0.25 0.00 0.00 55.06 57.29 3bxx s HIS 83 Cb -0.10 -3.58 -0.21 0.00 -1.18 0.00 0.00 32.58 27.51 3bxx s HIS 83 CO -0.09 -2.17 -0.07 0.28 -0.65 0.00 0.00 174.74 172.05 3bxx n VAL 84 N 8.21 1.42 -1.36 0.89 0.31 -1.13 -0.26 118.33 126.41 3bxx n VAL 84 Ca 0.39 -0.72 -0.37 0.00 -0.01 0.00 0.00 64.34 63.63 3bxx n VAL 84 Cb 0.51 -0.90 0.05 0.00 -0.91 0.00 0.00 33.84 32.59 3bxx n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bxx n ALA 85 N -2.97 -1.57 -3.64 3.52 0.00 0.01 -4.84 120.51 111.01 3bxx n ALA 85 Ca -0.38 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.85 3bxx n ALA 85 Cb 1.08 -1.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 3bxx n ALA 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3bxx s THR 86 N -1.82 0.00 0.28 0.00 -1.32 -1.26 -4.97 115.64 106.54 3bxx s THR 86 Ca 0.66 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.84 3bxx s THR 86 Cb -0.40 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.49 3bxx s THR 86 CO 0.58 0.00 1.20 -2.16 -2.21 0.00 0.00 174.62 172.02 3bxx s PRO 87 N 0.68 4.51 0.36 7.08 0.04 -1.26 -5.06 135.00 141.35 3bxx s PRO 87 Ca -0.02 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 62.95 3bxx s PRO 87 Cb -0.05 -3.16 0.08 0.00 0.04 0.00 0.00 34.50 31.42 3bxx s PRO 87 CO -0.09 0.01 0.49 -1.33 0.04 0.00 0.00 177.00 176.12 3bxx n MET 88 N 1.32 -0.20 -3.20 4.56 2.00 -1.26 -4.92 117.12 115.42 3bxx n MET 88 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 57.70 56.46 3bxx n MET 88 Cb 0.44 -0.45 -0.05 0.00 0.00 0.00 0.00 33.22 33.15 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 -3.20 4.44 0.21 7.83 2.03 -1.26 -4.52 116.55 122.08 3bxx n ASP 89 Ca 0.07 -3.53 -0.09 0.00 0.52 0.00 0.00 54.79 51.76 3bxx n ASP 89 Cb 0.24 -0.73 -0.04 0.00 -0.72 0.00 0.00 41.12 39.87 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 3.96 -0.54 0.00 -0.67 3.04 -1.96 -3.29 116.94 117.48 3bxx h PHE 90 Ca 0.20 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 3bxx h PHE 90 Cb 0.59 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.28 3bxx h PHE 90 CO 0.82 -0.34 -0.05 0.93 -2.02 0.00 0.00 178.31 177.65 3bxx h GLU 91 N -1.05 0.00 -6.59 1.11 4.39 -2.01 -3.47 114.58 106.96 3bxx h GLU 91 Ca -0.06 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.11 3bxx h GLU 91 Cb 0.45 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.91 3bxx h GLU 91 CO 0.10 0.05 -0.79 0.43 -1.16 0.00 0.00 179.01 177.63 3bxx n SER 92 N -3.17 -3.50 -0.11 1.42 7.64 -1.24 -4.85 113.62 109.82 3bxx n SER 92 Ca 0.01 -0.92 -0.22 0.00 1.01 0.00 0.00 58.87 58.74 3bxx n SER 92 Cb 0.34 -2.86 -0.07 0.00 -1.01 0.00 0.00 64.21 60.61 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 -4.33 0.51 -3.29 1.43 5.02 -1.26 -4.98 118.16 111.26 3bxx n LYS 93 Ca 0.07 0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 56.33 3bxx n LYS 93 Cb 0.49 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 3bxx n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3bxx n ASP 94 N -4.18 0.95 -0.30 4.39 -0.08 -1.26 -5.01 116.55 111.05 3bxx n ASP 94 Ca -0.39 -2.83 0.03 0.00 -1.51 0.00 0.00 54.79 50.09 3bxx n ASP 94 Cb 0.75 -0.64 0.17 0.00 2.34 0.00 0.00 41.12 43.74 3bxx n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3bxx h PRO 95 N 4.31 0.80 -0.97 -0.67 0.11 -1.96 0.21 132.00 133.84 3bxx h PRO 95 Ca 0.13 -0.05 0.31 0.00 0.11 0.00 0.00 66.00 66.50 3bxx h PRO 95 Cb 0.83 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 31.61 3bxx h PRO 95 CO 0.54 0.53 0.41 1.49 -0.21 0.00 0.00 178.00 180.76 3bxx h GLU 96 N 0.83 0.19 0.03 1.05 4.22 -1.96 0.72 114.58 119.66 3bxx h GLU 96 Ca 0.41 -0.01 -0.32 0.00 0.08 0.00 0.00 59.36 59.51 3bxx h GLU 96 Cb 0.37 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3bxx h GLU 96 CO -0.25 0.13 -1.89 0.09 -2.18 0.00 0.00 179.01 174.92 3bxx n ASN 97 N -5.19 1.15 0.08 1.04 3.02 -0.19 -1.68 115.26 113.49 3bxx n ASN 97 Ca 0.29 0.30 -0.07 0.00 -0.03 0.00 0.00 54.58 55.07 3bxx n ASN 97 Cb 0.93 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.88 3bxx n ASN 97 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3bxx h GLU 98 N 0.02 -0.28 0.01 3.52 4.81 0.38 -3.40 114.58 119.63 3bxx h GLU 98 Ca -0.36 0.02 -0.41 0.00 -0.13 0.00 0.00 59.36 58.48 3bxx h GLU 98 Cb 2.04 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.42 3bxx h GLU 98 CO 0.07 -0.05 -2.45 0.28 -0.73 0.00 0.00 179.01 176.13 3bxx n VAL 99 N -4.97 1.52 -0.02 0.32 0.31 0.24 -4.54 118.33 111.20 3bxx n VAL 99 Ca -0.05 -0.51 -0.02 0.00 -0.01 0.00 0.00 64.34 63.75 3bxx n VAL 99 Cb 0.19 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.31 0.09 -0.71 2.52 2.04 -1.63 -2.58 117.51 116.93 3bxx h ILE 100 Ca -0.60 -1.01 0.16 0.00 1.00 0.00 0.00 64.86 64.41 3bxx h ILE 100 Cb 1.81 0.17 -0.12 0.00 -0.74 0.00 0.00 36.82 37.94 3bxx h ILE 100 CO -0.18 0.03 0.02 0.50 0.00 0.00 0.00 178.15 178.52 3bxx h LYS 101 N -1.02 0.12 -0.19 2.37 3.64 -1.57 0.26 116.57 120.18 3bxx h LYS 101 Ca -0.01 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3bxx h LYS 101 Cb 0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3bxx h LYS 101 CO 0.01 0.08 -0.22 -1.35 -2.27 0.00 0.00 179.45 175.70 3bxx h PRO 102 N 0.13 0.49 -0.29 1.90 0.11 -1.78 0.11 132.00 132.66 3bxx h PRO 102 Ca 0.39 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3bxx h PRO 102 Cb 0.67 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 3bxx h PRO 102 CO -0.61 0.85 0.04 1.15 -0.21 0.00 0.00 178.00 179.23 3bxx h THR 103 N 0.15 1.16 0.21 -1.15 2.02 -1.00 0.11 112.91 114.41 3bxx h THR 103 Ca 0.03 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3bxx h THR 103 Cb 0.77 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3bxx h THR 103 CO 0.05 0.20 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 3bxx h ILE 104 N 0.42 0.25 -0.54 3.11 2.04 -0.40 -3.14 117.51 119.26 3bxx h ILE 104 Ca 0.10 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3bxx h ILE 104 Cb 0.21 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3bxx h ILE 104 CO 0.00 0.07 0.09 -0.33 0.00 0.00 0.00 178.15 177.98 3bxx h GLU 105 N -1.04 0.86 0.27 2.37 5.08 -0.71 -2.46 114.58 118.95 3bxx h GLU 105 Ca -0.03 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3bxx h GLU 105 Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3bxx h GLU 105 CO 0.05 0.80 -0.13 0.78 -1.00 0.00 0.00 179.01 179.51 3bxx h GLY 106 N 0.99 -0.38 -0.19 -3.84 0.00 -0.90 0.56 103.07 99.30 3bxx h GLY 106 Ca 0.17 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.67 3bxx h GLY 106 CO 0.01 -0.14 -0.34 1.98 0.00 0.00 0.00 176.54 178.05 3bxx h MET 107 N -0.50 -0.28 -0.99 4.80 1.85 -1.44 0.59 114.93 118.96 3bxx h MET 107 Ca -0.04 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.22 3bxx h MET 107 Cb 0.37 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 32.37 3bxx h MET 107 CO 0.06 -0.19 0.62 -0.07 -0.40 0.00 0.00 176.91 176.93 3bxx h LEU 108 N -0.29 0.83 -0.16 3.39 3.38 -1.42 0.65 115.31 121.69 3bxx h LEU 108 Ca 0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3bxx h LEU 108 Cb 0.39 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3bxx h LEU 108 CO -0.33 0.38 -0.37 1.23 0.09 0.00 0.00 178.44 179.45 3bxx h GLY 109 N 0.86 -1.28 1.06 0.83 0.00 0.16 -1.12 103.07 103.57 3bxx h GLY 109 Ca 0.52 0.71 0.07 0.00 0.00 0.00 0.00 47.33 48.64 3bxx h GLY 109 CO -0.30 -0.33 0.44 -2.22 0.00 0.00 0.00 176.54 174.13 3bxx h ILE 110 N -0.34 0.98 -0.70 2.60 2.04 0.24 -1.37 117.51 120.96 3bxx h ILE 110 Ca 0.03 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 3bxx h ILE 110 Cb 0.43 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3bxx h ILE 110 CO -0.33 0.12 0.28 0.24 0.00 0.00 0.00 178.15 178.46 3bxx h MET 111 N 0.64 1.03 0.38 2.37 2.86 -0.47 -1.16 114.93 120.57 3bxx h MET 111 Ca 0.30 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3bxx h MET 111 Cb 0.33 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3bxx h MET 111 CO -0.09 0.83 -0.18 0.87 1.06 0.00 0.00 176.91 179.40 3bxx h LYS 112 N 1.01 -0.49 -1.38 1.72 1.57 -0.13 -2.77 116.57 116.10 3bxx h LYS 112 Ca 0.24 0.03 0.40 0.00 -1.87 0.00 0.00 60.65 59.45 3bxx h LYS 112 Cb 0.19 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 3bxx h LYS 112 CO -0.02 -0.33 1.09 0.77 -0.57 0.00 0.00 179.45 180.39 3bxx h SER 113 N -0.53 0.00 0.05 0.86 0.02 -1.38 0.84 113.55 113.41 3bxx h SER 113 Ca -0.05 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.70 3bxx h SER 113 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3bxx h SER 113 CO 0.09 0.00 -0.74 0.00 -1.14 0.00 0.00 176.83 175.03 3bxx h ALA 115 N 0.76 -0.54 -0.99 0.00 0.00 -0.59 -3.31 119.26 114.59 3bxx h ALA 115 Ca -0.04 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.00 3bxx h ALA 115 Cb 1.34 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 19.19 3bxx h ALA 115 CO 0.14 -0.68 0.55 0.00 0.00 0.00 0.00 179.25 179.25 3bxx h ALA 116 N -0.30 1.89 -0.90 0.00 0.00 -1.29 0.31 119.26 118.97 3bxx h ALA 116 Ca -0.05 0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3bxx h ALA 116 Cb 0.53 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 3bxx h ALA 116 CO 0.09 -0.54 0.50 0.00 0.00 0.00 0.00 179.25 179.30 3bxx h ALA 117 N 1.83 1.40 -0.03 0.00 0.00 -1.57 -3.46 119.26 117.43 3bxx h ALA 117 Ca 0.71 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.69 3bxx h ALA 117 Cb 1.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3bxx h ALA 117 CO -0.60 -0.05 -0.01 1.63 0.00 0.00 0.00 179.25 180.21 3bxx n LYS 118 N -4.82 -1.65 0.00 0.00 4.01 0.10 -4.73 118.16 111.06 3bxx n LYS 118 Ca 0.19 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.43 3bxx n LYS 118 Cb 0.46 -4.70 0.00 0.00 -0.51 0.00 0.00 35.03 30.29 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 -2.18 0.00 -2.15 -0.18 -1.04 -1.26 -4.97 114.28 102.50 3bxx n THR 119 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 3bxx n THR 119 Cb 0.42 -0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.95 3.61 0.19 12.58 1.01 -1.06 -4.12 120.40 130.65 3bxx s VAL 120 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.60 3bxx s VAL 120 Cb 0.00 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 3bxx s VAL 120 CO 0.00 -0.68 1.44 0.08 0.00 0.00 0.00 175.10 175.94 3bxx h ARG 121 N 12.44 0.15 -1.99 2.72 0.11 -1.70 -3.48 114.38 122.63 3bxx h ARG 121 Ca -0.30 -0.15 0.01 0.00 0.10 0.00 0.00 59.98 59.64 3bxx h ARG 121 Cb 1.14 0.04 -0.21 0.00 1.11 0.00 0.00 29.97 32.05 3bxx h ARG 121 CO 1.10 0.87 0.05 0.50 0.10 0.00 0.00 179.97 182.59 3bxx s ARG 122 N -3.32 0.74 -0.21 0.08 3.52 -1.06 -4.60 118.95 114.10 3bxx s ARG 122 Ca -0.02 1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 3bxx s ARG 122 Cb 0.11 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 3bxx s ARG 122 CO 0.81 -0.14 0.23 -1.17 -0.81 0.00 0.00 175.30 174.22 3bxx s LEU 123 N 1.31 4.16 -0.38 -0.88 0.20 -0.74 -3.35 118.68 119.00 3bxx s LEU 123 Ca -0.07 0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.99 3bxx s LEU 123 Cb -0.05 -2.24 0.09 0.00 -0.43 0.00 0.00 46.19 43.56 3bxx s LEU 123 CO -0.15 0.06 0.15 -0.69 -0.29 0.00 0.00 176.35 175.43 3bxx s VAL 124 N 0.91 3.37 -0.01 1.68 1.01 -0.89 -1.15 120.40 125.33 3bxx s VAL 124 Ca 0.12 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 3bxx s VAL 124 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3bxx s VAL 124 CO 0.04 -0.48 1.05 0.12 0.00 0.00 0.00 175.10 175.83 3bxx s PHE 125 N 1.23 3.54 -0.27 5.22 5.36 -1.05 -2.18 117.98 129.82 3bxx s PHE 125 Ca 0.03 1.55 -0.23 0.00 -0.96 0.00 0.00 56.93 57.33 3bxx s PHE 125 Cb -0.22 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.23 3bxx s PHE 125 CO -0.02 -0.44 0.74 0.99 -1.46 0.00 0.00 175.22 175.03 3bxx s THR 126 N 1.32 4.88 0.02 0.12 2.01 0.63 -1.62 115.64 123.01 3bxx s THR 126 Ca 0.53 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3bxx s THR 126 Cb -0.23 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.22 3bxx s THR 126 CO 0.26 -0.10 0.01 -0.24 -0.69 0.00 0.00 174.62 173.86 3bxx n SER 127 N 5.97 1.20 -4.12 3.53 2.88 -0.55 -4.80 113.62 117.74 3bxx n SER 127 Ca 0.03 -1.07 -0.21 0.00 -1.33 0.00 0.00 58.87 56.28 3bxx n SER 127 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.11 1.61 0.36 -3.46 0.15 -1.26 -4.13 113.70 105.85 3bxx s SER 128 Ca 0.01 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.37 3bxx s SER 128 Cb -0.00 -0.15 0.70 0.00 -1.71 0.00 0.00 66.02 64.86 3bxx s SER 128 CO 0.01 0.11 2.01 0.00 1.20 0.00 0.00 173.24 176.57 3bxx h ALA 129 N 5.46 1.61 0.00 5.45 0.00 -1.82 -0.47 119.26 129.49 3bxx h ALA 129 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3bxx h ALA 129 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3bxx h ALA 129 CO 0.47 0.34 0.02 0.41 0.00 0.00 0.00 179.25 180.49 3bxx n GLY 130 N -1.45 -0.15 0.05 0.00 0.00 -1.26 0.09 105.19 102.47 3bxx n GLY 130 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3bxx n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bxx n THR 131 N -1.10 0.25 -0.07 2.61 -2.24 -0.18 -4.42 114.28 109.13 3bxx n THR 131 Ca 0.00 -0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 3bxx n THR 131 Cb 0.02 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 3bxx n THR 131 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3bxx n VAL 132 N -1.90 1.26 -1.44 2.28 0.31 0.11 0.00 118.33 118.95 3bxx n VAL 132 Ca 0.05 0.23 -0.02 0.00 -0.01 0.00 0.00 64.34 64.58 3bxx n VAL 132 Cb 0.40 -2.26 0.20 0.00 -0.91 0.00 0.00 33.84 31.27 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 -4.26 2.47 -4.41 4.52 6.94 -1.15 -0.66 115.26 118.71 3bxx n ASN 133 Ca -0.09 -3.74 -0.45 0.00 -0.02 0.00 0.00 54.58 50.28 3bxx n ASN 133 Cb 0.32 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.09 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 -3.22 4.92 0.13 1.53 -1.09 -1.26 -4.96 121.20 117.25 3bxx s ILE 134 Ca 0.44 -1.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.15 3bxx s ILE 134 Cb 0.40 -4.64 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 3bxx s ILE 134 CO -0.00 -1.32 0.32 0.00 -1.23 0.00 0.00 174.94 172.71 3bxx s GLN 135 N 2.20 1.04 0.42 2.79 0.00 -1.26 -0.89 119.66 123.95 3bxx s GLN 135 Ca 0.24 -0.89 0.28 0.00 -0.00 0.00 0.00 55.36 55.00 3bxx s GLN 135 Cb -0.11 0.41 1.50 0.00 0.00 0.00 0.00 33.01 34.81 3bxx s GLN 135 CO -0.05 -0.38 1.87 1.49 0.00 0.00 0.00 175.29 178.22 3bxx h GLU 136 N 2.51 0.00 -3.11 9.60 4.81 -1.97 -3.40 114.58 123.02 3bxx h GLU 136 Ca -0.33 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.57 3bxx h GLU 136 Cb 1.23 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.24 3bxx h GLU 136 CO 0.49 0.00 -0.67 -1.01 -0.73 0.00 0.00 179.01 177.09 3bxx s HIS 137 N -3.69 -0.09 0.03 0.92 3.76 -1.26 -5.13 115.29 109.82 3bxx s HIS 137 Ca -0.02 0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 3bxx s HIS 137 Cb 0.08 -0.36 -0.07 0.00 1.11 0.00 0.00 32.58 33.35 3bxx s HIS 137 CO 0.29 -0.28 1.49 -0.65 -0.85 0.00 0.00 174.74 174.73 3bxx s GLN 138 N 2.25 4.25 0.80 1.40 -1.52 -1.26 -5.01 119.66 120.57 3bxx s GLN 138 Ca 0.04 2.09 -0.14 0.00 -1.95 0.00 0.00 55.36 55.40 3bxx s GLN 138 Cb -0.12 -3.57 0.08 0.00 -0.22 0.00 0.00 33.01 29.17 3bxx s GLN 138 CO -0.06 -0.63 1.22 -0.51 -0.25 0.00 0.00 175.29 175.07 3bxx s LEU 139 N 2.44 3.17 0.17 2.90 1.43 -1.26 -4.93 118.68 122.60 3bxx s LEU 139 Ca 0.67 2.40 0.27 0.00 -1.03 0.00 0.00 54.13 56.44 3bxx s LEU 139 Cb -0.34 -4.59 0.88 0.00 0.03 0.00 0.00 46.19 42.16 3bxx s LEU 139 CO 0.28 -2.64 1.80 -0.81 0.23 0.00 0.00 176.35 175.21 3bxx n PRO 140 N -3.20 0.22 -3.76 1.29 -0.04 -1.26 -4.77 135.00 123.47 3bxx n PRO 140 Ca 0.14 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 3bxx n PRO 140 Cb 0.50 -1.75 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.08 0.00 0.21 0.52 1.01 -1.26 -2.67 120.40 115.12 3bxx s VAL 141 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.18 3bxx s VAL 141 Cb 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3bxx s VAL 141 CO 0.59 -0.01 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 3bxx s TYR 142 N 0.10 2.38 0.39 5.22 2.02 0.52 -4.96 117.35 123.03 3bxx s TYR 142 Ca -0.01 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3bxx s TYR 142 Cb -0.02 -1.15 0.05 0.00 -0.40 0.00 0.00 41.96 40.43 3bxx s TYR 142 CO 0.01 0.54 0.73 -0.40 -1.57 0.00 0.00 175.55 174.85 3bxx n ASP 143 N 0.05 -2.10 -0.06 2.29 5.75 -1.26 -2.47 116.55 118.74 3bxx n ASP 143 Ca -0.11 -2.69 0.05 0.00 -0.01 0.00 0.00 54.79 52.02 3bxx n ASP 143 Cb 0.57 3.57 0.25 0.00 -1.03 0.00 0.00 41.12 44.47 3bxx n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bxx n GLU 144 N -0.55 1.07 0.04 0.11 4.71 -1.26 -1.92 120.64 122.84 3bxx n GLU 144 Ca -0.07 -0.11 0.12 0.00 -0.01 0.00 0.00 57.16 57.09 3bxx n GLU 144 Cb 0.60 -1.15 0.17 0.00 -1.01 0.00 0.00 31.44 30.05 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 -0.53 0.62 -4.75 1.62 3.41 -1.26 -4.89 113.62 107.84 3bxx n SER 145 Ca 0.07 -0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.27 3bxx n SER 145 Cb 0.06 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.19 1.25 0.74 0.00 0.52 -1.26 -4.47 118.94 115.92 3bxx s TRP 147 Ca 0.27 -0.54 -0.17 0.00 0.02 0.00 0.00 56.10 55.67 3bxx s TRP 147 Cb -0.16 -1.06 -0.13 0.00 -1.15 0.00 0.00 33.47 30.97 3bxx s TRP 147 CO 0.12 -0.40 -0.28 0.43 0.02 0.00 0.00 176.95 176.84 3bxx n SER 148 N 4.68 -4.20 -4.34 2.95 7.64 0.10 -4.93 113.62 115.52 3bxx n SER 148 Ca -0.15 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 3bxx n SER 148 Cb 0.50 -0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 3bxx n SER 148 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3bxx s ASP 149 N -1.10 5.80 0.24 6.43 2.15 -0.07 -4.96 116.67 125.15 3bxx s ASP 149 Ca 0.51 -1.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.19 3bxx s ASP 149 Cb -0.34 -2.05 0.26 0.00 -0.30 0.00 0.00 42.92 40.49 3bxx s ASP 149 CO 0.72 -0.51 1.68 0.24 -0.17 0.00 0.00 175.17 177.13 3bxx h MET 150 N 8.50 0.76 -0.20 4.34 2.86 -1.92 0.24 114.93 129.51 3bxx h MET 150 Ca -0.25 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.18 3bxx h MET 150 Cb 1.10 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 3bxx h MET 150 CO 0.75 0.86 -0.15 1.49 1.06 0.00 0.00 176.91 180.92 3bxx h GLU 151 N 0.68 -0.15 -0.43 1.72 4.57 -1.98 0.25 114.58 119.24 3bxx h GLU 151 Ca 0.11 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3bxx h GLU 151 Cb 0.62 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 3bxx h GLU 151 CO 0.04 -0.10 0.04 0.35 -1.18 0.00 0.00 179.01 178.16 3bxx h PHE 152 N -0.15 0.79 -0.02 0.92 3.57 -1.90 -0.61 116.94 119.54 3bxx h PHE 152 Ca 0.12 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3bxx h PHE 152 Cb 0.33 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3bxx h PHE 152 CO -0.30 0.77 0.01 0.00 -2.23 0.00 0.00 178.31 176.55 3bxx h ARG 154 N -0.08 0.22 -0.71 0.00 3.08 -0.49 -0.38 114.38 116.02 3bxx h ARG 154 Ca 0.01 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.11 3bxx h ARG 154 Cb 0.11 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3bxx h ARG 154 CO -0.00 0.35 0.33 0.00 -1.07 0.00 0.00 179.97 179.59 3bxx h ALA 155 N 0.86 0.97 0.09 0.04 0.00 -1.15 -3.34 119.26 116.73 3bxx h ALA 155 Ca 0.05 0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 3bxx h ALA 155 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3bxx h ALA 155 CO -0.00 -0.09 -1.84 1.63 0.00 0.00 0.00 179.25 178.95 3bxx n LYS 156 N -4.90 0.70 -3.53 0.00 4.01 -0.91 -5.01 118.16 108.53 3bxx n LYS 156 Ca 0.11 0.34 -0.19 0.00 -0.51 0.00 0.00 58.31 58.06 3bxx n LYS 156 Cb 0.29 -1.71 0.06 0.00 -0.51 0.00 0.00 35.03 33.17 3bxx n LYS 156 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3bxx n LYS 157 N -3.74 -5.15 -2.13 1.97 4.76 -0.17 -4.98 118.16 108.73 3bxx n LYS 157 Ca -0.33 0.74 -0.28 0.00 -2.87 0.00 0.00 58.31 55.57 3bxx n LYS 157 Cb 0.95 -5.51 0.04 0.00 -1.84 0.00 0.00 35.03 28.67 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 -5.51 2.82 -0.03 1.97 0.23 -1.26 -4.96 119.30 112.57 3bxx s MET 158 Ca 0.08 0.20 -0.36 0.00 -1.03 0.00 0.00 55.69 54.58 3bxx s MET 158 Cb -0.02 -2.14 -0.15 0.00 -1.53 0.00 0.00 34.83 31.00 3bxx s MET 158 CO 0.77 -0.91 1.61 2.41 -2.03 0.00 0.00 175.02 176.87 3bxx n THR 159 N -2.82 0.20 -1.25 3.16 -1.04 -1.26 -1.57 114.28 109.69 3bxx n THR 159 Ca 0.06 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 3bxx n THR 159 Cb 0.58 -1.30 -0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 4.32 -0.02 -0.27 2.41 0.00 -1.26 -4.96 120.51 120.73 3bxx n ALA 160 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 3bxx n ALA 160 Cb 0.22 -0.58 0.11 0.00 0.00 0.00 0.00 19.45 19.19 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 0.83 0.00 0.00 5.08 -1.66 -3.05 115.95 117.15 3bxx h TRP 161 Ca -0.02 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3bxx h TRP 161 Cb 0.28 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3bxx h TRP 161 CO 0.03 0.42 -0.01 0.00 -1.28 0.00 0.00 178.44 177.61 3bxx h MET 162 N 0.83 0.00 -0.00 0.12 -0.00 -1.93 0.24 114.93 114.19 3bxx h MET 162 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.02 3bxx h MET 162 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 3bxx h MET 162 CO -0.16 0.01 -0.56 0.66 -0.00 0.00 0.00 176.91 176.86 3bxx n TYR 163 N -3.18 0.00 -0.06 -0.10 4.02 -1.15 -2.71 117.16 113.97 3bxx n TYR 163 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 3bxx n TYR 163 Cb 0.11 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.21 3bxx n TYR 163 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3bxx n PHE 164 N -1.46 0.66 -0.07 -0.72 3.72 -0.66 -4.15 117.46 114.79 3bxx n PHE 164 Ca 0.06 0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.68 3bxx n PHE 164 Cb 0.34 -0.65 0.12 0.00 -0.94 0.00 0.00 39.48 38.35 3bxx n PHE 164 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3bxx h VAL 165 N -0.83 1.26 0.34 -4.37 2.07 -0.74 -1.13 116.25 112.85 3bxx h VAL 165 Ca 0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3bxx h VAL 165 Cb 0.49 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3bxx h VAL 165 CO 0.00 0.42 -0.34 0.77 0.02 0.00 0.00 177.57 178.44 3bxx h SER 166 N 0.64 -0.93 0.62 0.57 4.64 -1.73 0.14 113.55 117.49 3bxx h SER 166 Ca 0.10 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3bxx h SER 166 Cb 0.67 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3bxx h SER 166 CO 0.05 -0.45 0.00 0.11 -0.87 0.00 0.00 176.83 175.67 3bxx h LYS 167 N -0.68 0.00 0.13 4.77 1.79 -1.69 0.42 116.57 121.31 3bxx h LYS 167 Ca -0.04 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 3bxx h LYS 167 Cb 0.59 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3bxx h LYS 167 CO -0.04 0.00 -1.54 1.15 -1.08 0.00 0.00 179.45 177.94 3bxx h THR 168 N 0.00 1.14 -0.01 -0.16 2.02 -1.05 -2.38 112.91 112.47 3bxx h THR 168 Ca 0.00 -2.78 -0.18 0.00 0.77 0.00 0.00 66.41 64.22 3bxx h THR 168 Cb 0.31 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 3bxx h THR 168 CO 0.00 0.82 -0.81 -0.07 0.37 0.00 0.00 175.52 175.83 3bxx h LEU 169 N 0.07 0.24 -0.10 2.58 3.38 -0.11 -2.40 115.31 118.97 3bxx h LEU 169 Ca -0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3bxx h LEU 169 Cb 2.02 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 3bxx h LEU 169 CO 0.17 0.95 -0.05 0.00 0.09 0.00 0.00 178.44 179.60 3bxx h ALA 170 N 1.04 0.14 -0.30 1.53 0.00 -0.29 -1.75 119.26 119.63 3bxx h ALA 170 Ca -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3bxx h ALA 170 Cb 1.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3bxx h ALA 170 CO 0.12 -0.09 0.01 1.49 0.00 0.00 0.00 179.25 180.78 3bxx h GLU 171 N -0.15 0.53 0.00 0.00 4.81 -1.54 -2.78 114.58 115.45 3bxx h GLU 171 Ca 0.02 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3bxx h GLU 171 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3bxx h GLU 171 CO 0.01 0.67 0.00 1.04 -0.73 0.00 0.00 179.01 180.00 3bxx n GLN 172 N -4.57 0.00 -0.40 1.92 6.02 -0.90 -1.98 117.38 117.46 3bxx n GLN 172 Ca -0.03 0.58 0.38 0.00 -0.01 0.00 0.00 57.00 57.92 3bxx n GLN 172 Cb 0.25 -1.38 0.74 0.00 1.02 0.00 0.00 30.24 30.87 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 -1.70 3.18 -0.52 -1.58 0.00 -1.45 -2.47 119.26 114.72 3bxx h ALA 173 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bxx h ALA 173 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bxx h ALA 173 CO 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 179.25 177.68 3bxx n ALA 174 N -2.76 -0.37 -0.33 0.00 0.00 -0.84 -2.11 120.51 114.10 3bxx n ALA 174 Ca 0.29 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.98 3bxx n ALA 174 Cb 1.37 0.05 0.48 0.00 0.00 0.00 0.00 19.45 21.35 3bxx n ALA 174 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3bxx h TRP 175 N 0.00 0.65 -0.72 0.00 4.06 -1.02 0.34 115.95 119.26 3bxx h TRP 175 Ca 0.00 0.05 0.17 0.00 2.06 0.00 0.00 58.89 61.17 3bxx h TRP 175 Cb 0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.00 3bxx h TRP 175 CO 0.08 -0.37 0.50 -0.22 -3.56 0.00 0.00 178.44 174.87 3bxx h LYS 176 N 0.10 0.24 0.00 0.49 3.64 -1.28 -0.56 116.57 119.20 3bxx h LYS 176 Ca 0.75 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 60.08 3bxx h LYS 176 Cb 1.81 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 3bxx h LYS 176 CO -0.75 0.16 -0.28 -0.92 -2.27 0.00 0.00 179.45 175.39 3bxx h TYR 177 N 0.24 0.00 -1.01 1.91 3.20 0.19 -3.19 116.97 118.31 3bxx h TYR 177 Ca 0.35 0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.47 3bxx h TYR 177 Cb 1.04 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.18 3bxx h TYR 177 CO -0.00 0.56 0.60 0.00 -1.64 0.00 0.00 178.16 177.68 3bxx h ALA 178 N -0.59 1.81 -0.27 1.82 0.00 -0.75 0.72 119.26 121.99 3bxx h ALA 178 Ca -0.05 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3bxx h ALA 178 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3bxx h ALA 178 CO -0.03 -0.29 -0.07 -0.22 0.00 0.00 0.00 179.25 178.64 3bxx h LYS 179 N 0.57 0.53 0.00 0.00 1.63 -1.31 -1.78 116.57 116.20 3bxx h LYS 179 Ca 0.65 -0.20 -0.09 0.00 -0.85 0.00 0.00 60.65 60.15 3bxx h LYS 179 Cb 1.25 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3bxx h LYS 179 CO -0.48 0.74 -0.44 0.93 -3.45 0.00 0.00 179.45 176.75 3bxx h GLU 180 N 0.29 0.00 0.00 1.90 5.08 0.30 -3.32 114.58 118.83 3bxx h GLU 180 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3bxx h GLU 180 Cb 0.54 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 3bxx h GLU 180 CO 0.03 0.44 -0.47 0.09 -1.00 0.00 0.00 179.01 178.10 3bxx n ASN 181 N -3.96 1.39 -4.25 1.42 3.02 0.51 -5.03 115.26 108.36 3bxx n ASN 181 Ca -0.02 -2.87 -0.33 0.00 -0.03 0.00 0.00 54.58 51.33 3bxx n ASN 181 Cb 0.47 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.64 -0.73 -4.82 6.41 4.13 -0.73 -4.96 115.26 113.93 3bxx n ASN 182 Ca 0.11 -1.15 -0.35 0.00 1.68 0.00 0.00 54.58 54.87 3bxx n ASN 182 Cb 0.77 -2.21 -0.06 0.00 -1.54 0.00 0.00 39.78 36.74 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bxx s ILE 183 N -3.85 4.55 -0.87 2.41 1.01 -0.87 -5.03 121.20 118.55 3bxx s ILE 183 Ca 0.30 1.28 -0.21 0.00 0.00 0.00 0.00 60.65 62.02 3bxx s ILE 183 Cb -0.17 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.58 3bxx s ILE 183 CO 0.96 0.11 1.14 -0.62 0.00 0.00 0.00 174.94 176.53 3bxx s ASP 184 N -1.78 6.48 -0.31 3.58 -1.08 -1.26 -4.74 116.67 117.55 3bxx s ASP 184 Ca 0.46 -1.63 -0.07 0.00 -0.52 0.00 0.00 52.55 50.79 3bxx s ASP 184 Cb -0.15 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 3bxx s ASP 184 CO 0.20 -1.25 0.11 0.12 0.52 0.00 0.00 175.17 174.86 3bxx s PHE 185 N 3.49 3.18 0.43 -5.34 5.36 -1.26 -1.80 117.98 122.05 3bxx s PHE 185 Ca 0.32 -1.03 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 3bxx s PHE 185 Cb -0.07 -2.29 0.00 0.00 -0.34 0.00 0.00 43.02 40.32 3bxx s PHE 185 CO -0.04 -0.60 0.62 0.42 -1.46 0.00 0.00 175.22 174.16 3bxx s ILE 186 N 1.50 3.60 -0.17 3.12 -1.09 -0.30 -4.26 121.20 123.60 3bxx s ILE 186 Ca 0.02 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 3bxx s ILE 186 Cb -0.18 -3.29 0.06 0.00 -1.58 0.00 0.00 42.46 37.47 3bxx s ILE 186 CO 0.03 -0.16 0.42 0.42 -1.23 0.00 0.00 174.94 174.42 3bxx s THR 187 N -2.46 -0.02 -0.12 2.92 -4.23 -1.21 -2.52 115.64 108.01 3bxx s THR 187 Ca 0.50 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3bxx s THR 187 Cb -0.10 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 3bxx s THR 187 CO 0.35 0.03 0.13 -0.63 -0.54 0.00 0.00 174.62 173.96 3bxx s ILE 188 N 1.17 5.38 -0.71 2.99 1.01 -0.64 -1.67 121.20 128.74 3bxx s ILE 188 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 3bxx s ILE 188 Cb -0.07 -3.34 0.18 0.00 0.01 0.00 0.00 42.46 39.24 3bxx s ILE 188 CO -0.10 0.62 0.54 -0.63 0.00 0.00 0.00 174.94 175.36 3bxx s ILE 189 N -1.01 3.82 0.64 2.92 1.01 0.16 -1.49 121.20 127.25 3bxx s ILE 189 Ca 0.15 -3.33 -0.18 0.00 0.00 0.00 0.00 60.65 57.29 3bxx s ILE 189 Cb -0.12 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3bxx s ILE 189 CO 0.04 -0.95 1.23 -2.16 0.00 0.00 0.00 174.94 173.10 3bxx s PRO 190 N -0.55 2.69 0.00 2.79 0.04 -1.26 -2.58 135.00 136.14 3bxx s PRO 190 Ca 0.21 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3bxx s PRO 190 Cb -0.16 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3bxx s PRO 190 CO -0.07 -1.44 0.00 0.25 0.04 0.00 0.00 177.00 175.79 3bxx n THR 191 N -1.90 0.00 -1.48 1.26 -2.24 -1.25 -2.91 114.28 105.76 3bxx n THR 191 Ca 0.14 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.45 3bxx n THR 191 Cb 0.49 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.59 3bxx n THR 191 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3bxx n LEU 192 N 0.00 2.17 -4.68 3.22 7.94 -0.73 -4.59 117.00 120.32 3bxx n LEU 192 Ca 0.00 0.27 -0.43 0.00 -1.11 0.00 0.00 56.01 54.74 3bxx n LEU 192 Cb 0.00 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 42.61 3bxx n LEU 192 CO 0.00 -0.82 0.85 -0.69 -1.11 0.00 0.00 177.39 175.62 3bxx s VAL 193 N 8.09 4.64 0.02 1.96 1.01 -1.26 -2.53 120.40 132.34 3bxx s VAL 193 Ca 1.09 1.93 0.02 0.00 0.00 0.00 0.00 61.98 65.02 3bxx s VAL 193 Cb -0.74 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.38 3bxx s VAL 193 CO 0.45 -0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 3bxx s VAL 194 N 2.25 0.61 -3.81 2.92 1.01 -1.01 -4.59 120.40 117.78 3bxx s VAL 194 Ca 0.50 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3bxx s VAL 194 Cb -0.19 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.60 3bxx s VAL 194 CO 0.17 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3bxx n GLY 195 N 2.17 -1.33 3.53 4.51 0.00 -1.24 -0.24 105.19 112.60 3bxx n GLY 195 Ca -0.18 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.52 -1.79 0.02 1.61 0.04 -1.25 -2.84 135.00 129.27 3bxx s PRO 196 Ca 0.00 -0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.63 3bxx s PRO 196 Cb 0.00 -1.54 0.09 0.00 0.04 0.00 0.00 34.50 33.10 3bxx s PRO 196 CO 0.00 -4.07 0.82 -0.59 0.04 0.00 0.00 177.00 173.20 3bxx s PHE 197 N -2.89 -0.41 -0.03 0.56 -0.12 -1.26 -4.84 117.98 108.99 3bxx s PHE 197 Ca 0.71 0.30 0.19 0.00 -0.05 0.00 0.00 56.93 58.09 3bxx s PHE 197 Cb -0.09 0.53 -0.29 0.00 -0.63 0.00 0.00 43.02 42.54 3bxx s PHE 197 CO 0.56 -0.61 0.41 0.44 -0.05 0.00 0.00 175.22 175.97 3bxx n ILE 198 N -0.17 0.03 -0.74 -4.49 -5.35 -1.26 -5.03 119.36 102.35 3bxx n ILE 198 Ca -0.11 -0.44 -0.30 0.00 -0.27 0.00 0.00 62.75 61.62 3bxx n ILE 198 Cb 0.62 0.05 0.18 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.30 0.68 0.17 6.28 0.23 -1.26 -4.88 119.30 117.23 3bxx s MET 199 Ca -0.07 1.31 -0.11 0.00 -1.03 0.00 0.00 55.69 55.80 3bxx s MET 199 Cb 0.12 -1.71 0.07 0.00 -1.53 0.00 0.00 34.83 31.78 3bxx s MET 199 CO 0.79 -2.78 1.68 0.66 -2.03 0.00 0.00 175.02 173.33 3bxx h SER 200 N -1.97 0.93 -1.96 -1.18 4.64 -1.94 -3.47 113.55 108.60 3bxx h SER 200 Ca -0.48 -0.24 -0.53 0.00 -0.47 0.00 0.00 61.79 60.07 3bxx h SER 200 Cb 1.28 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 3bxx h SER 200 CO 0.45 0.93 -0.54 -0.44 -0.87 0.00 0.00 176.83 176.36 3bxx s SER 201 N -6.32 4.84 -0.47 4.97 0.01 -1.26 -5.07 113.70 110.40 3bxx s SER 201 Ca -0.12 -0.66 -0.43 0.00 1.31 0.00 0.00 55.95 56.04 3bxx s SER 201 Cb 0.13 -0.85 -0.18 0.00 0.21 0.00 0.00 66.02 65.33 3bxx s SER 201 CO 0.82 -0.23 2.01 0.80 0.41 0.00 0.00 173.24 177.05 3bxx n MET 202 N -1.15 0.18 -2.26 12.44 1.56 -1.26 -4.92 117.12 121.72 3bxx n MET 202 Ca -0.04 0.06 -0.40 0.00 -0.27 0.00 0.00 57.70 57.05 3bxx n MET 202 Cb 0.60 -1.64 -0.03 0.00 2.15 0.00 0.00 33.22 34.31 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 5.25 4.35 0.37 2.12 0.02 -1.26 -4.92 135.00 140.94 3bxx s PRO 203 Ca 1.14 2.00 0.21 0.00 0.02 0.00 0.00 61.00 64.37 3bxx s PRO 203 Cb -1.41 -3.00 1.33 0.00 0.02 0.00 0.00 34.50 31.44 3bxx s PRO 203 CO 0.68 -0.11 1.59 -1.35 -0.33 0.00 0.00 177.00 177.48 3bxx h PRO 204 N 3.30 0.04 0.00 5.54 0.11 -2.01 -2.21 132.00 136.78 3bxx h PRO 204 Ca -0.48 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3bxx h PRO 204 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3bxx h PRO 204 CO 0.65 0.03 -0.34 0.66 -0.21 0.00 0.00 178.00 178.79 3bxx h SER 205 N 0.04 0.00 1.24 -2.05 4.64 -1.91 -3.24 113.55 112.27 3bxx h SER 205 Ca 0.84 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.16 3bxx h SER 205 Cb 2.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.31 3bxx h SER 205 CO -0.72 0.34 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.10 3bxx h LEU 206 N 0.00 0.00 -1.39 5.97 3.38 -1.65 -1.63 115.31 119.99 3bxx h LEU 206 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3bxx h LEU 206 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3bxx h LEU 206 CO 0.04 0.04 0.15 0.40 0.09 0.00 0.00 178.44 179.17 3bxx h ILE 207 N 0.00 1.16 0.03 1.22 2.04 -1.54 -2.48 117.51 117.93 3bxx h ILE 207 Ca 0.00 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3bxx h ILE 207 Cb 0.82 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3bxx h ILE 207 CO 0.00 0.19 -0.31 0.74 0.00 0.00 0.00 178.15 178.77 3bxx h THR 208 N 0.57 1.64 -0.59 -0.27 2.02 -1.67 -3.27 112.91 111.33 3bxx h THR 208 Ca 0.14 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3bxx h THR 208 Cb 0.13 3.23 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 3bxx h THR 208 CO -0.01 0.60 0.39 0.00 0.37 0.00 0.00 175.52 176.87 3bxx h ALA 209 N -0.04 0.75 0.00 6.16 0.00 -1.36 -2.32 119.26 122.45 3bxx h ALA 209 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bxx h ALA 209 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bxx h ALA 209 CO 0.01 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3bxx n LEU 210 N -4.67 0.00 0.23 0.00 4.77 -0.93 -4.22 117.00 112.18 3bxx n LEU 210 Ca 0.04 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3bxx n LEU 210 Cb 0.02 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.79 3bxx n LEU 210 CO 0.35 0.00 1.09 0.77 -1.33 0.00 0.00 177.39 178.28 3bxx h SER 211 N 0.00 0.00 0.22 -1.43 4.64 -1.46 0.26 113.55 115.78 3bxx h SER 211 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bxx h SER 211 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bxx h SER 211 CO 0.00 0.00 0.00 -2.65 -0.87 0.00 0.00 176.83 173.31 3bxx n PRO 212 N -4.44 0.10 -0.07 4.77 -0.02 -1.26 -1.18 135.00 132.90 3bxx n PRO 212 Ca -0.01 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.64 3bxx n PRO 212 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 3bxx n PRO 212 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3bxx n ILE 213 N -1.34 1.10 0.48 4.25 5.41 0.85 -4.57 119.36 125.53 3bxx n ILE 213 Ca 0.04 0.24 0.05 0.00 1.00 0.00 0.00 62.75 64.07 3bxx n ILE 213 Cb 0.08 -2.12 0.25 0.00 -0.71 0.00 0.00 39.64 37.14 3bxx n ILE 213 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3bxx n THR 214 N -3.94 0.69 -1.53 1.39 -2.24 -0.83 -4.90 114.28 102.92 3bxx n THR 214 Ca -0.10 0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.67 3bxx n THR 214 Cb 0.38 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.45 1.74 3.56 3.38 0.00 -0.33 -4.89 105.19 108.21 3bxx n GLY 215 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3bxx n GLY 215 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bxx s ASN 216 N -2.57 5.53 0.23 1.61 3.84 -1.25 -4.84 114.94 117.50 3bxx s ASN 216 Ca 0.00 -1.00 -0.12 0.00 0.21 0.00 0.00 52.86 51.94 3bxx s ASN 216 Cb 0.00 -2.57 0.31 0.00 -0.55 0.00 0.00 41.25 38.45 3bxx s ASN 216 CO 0.00 -2.41 1.44 -0.62 -2.79 0.00 0.00 177.10 172.72 3bxx n GLU 217 N 8.80 -0.16 -0.04 0.43 -0.58 -1.26 -2.15 120.64 125.67 3bxx n GLU 217 Ca 0.39 1.43 0.24 0.00 -0.42 0.00 0.00 57.16 58.81 3bxx n GLU 217 Cb 0.48 -2.13 0.71 0.00 -0.57 0.00 0.00 31.44 29.93 3bxx n GLU 217 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bxx h ALA 218 N 1.53 2.48 0.00 0.62 0.00 -2.01 -0.28 119.26 121.60 3bxx h ALA 218 Ca 0.38 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3bxx h ALA 218 Cb 0.61 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bxx h ALA 218 CO -0.93 -0.94 -0.84 0.45 0.00 0.00 0.00 179.25 176.98 3bxx h HIS 219 N 0.00 0.00 -1.28 0.00 3.86 -1.82 -3.39 115.15 112.52 3bxx h HIS 219 Ca 0.31 0.00 0.40 0.00 -1.16 0.00 0.00 60.37 59.93 3bxx h HIS 219 Cb 1.51 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.87 3bxx h HIS 219 CO 0.00 0.64 0.84 1.88 0.86 0.00 0.00 177.93 182.14 3bxx h TYR 220 N 0.00 0.51 -0.80 2.45 -1.99 -1.12 -1.37 116.97 114.65 3bxx h TYR 220 Ca -0.05 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 3bxx h TYR 220 Cb 1.53 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 40.09 3bxx h TYR 220 CO 0.00 -0.13 0.48 0.66 -0.00 0.00 0.00 178.16 179.17 3bxx h SER 221 N 0.14 0.96 0.29 3.88 4.64 -1.77 -1.24 113.55 120.45 3bxx h SER 221 Ca 0.77 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3bxx h SER 221 Cb 2.39 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 3bxx h SER 221 CO -0.36 0.74 0.00 -0.38 -0.87 0.00 0.00 176.83 175.96 3bxx n ILE 222 N -4.47 1.18 -0.10 0.95 5.41 -0.51 -2.96 119.36 118.86 3bxx n ILE 222 Ca 0.08 0.46 0.00 0.00 1.00 0.00 0.00 62.75 64.29 3bxx n ILE 222 Cb 0.06 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 3bxx n ILE 222 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3bxx n ILE 223 N -1.97 0.20 -0.35 1.39 -5.35 -0.83 -4.59 119.36 107.87 3bxx n ILE 223 Ca 0.01 -0.55 0.17 0.00 -0.27 0.00 0.00 62.75 62.10 3bxx n ILE 223 Cb 0.10 0.97 0.38 0.00 -1.74 0.00 0.00 39.64 39.36 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 0.00 0.60 -2.09 6.28 2.43 -1.14 -2.05 114.38 118.41 3bxx h ARG 224 Ca 0.00 -0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.56 3bxx h ARG 224 Cb 0.16 -0.14 -0.40 0.00 -0.42 0.00 0.00 29.97 29.17 3bxx h ARG 224 CO 0.00 0.40 -0.88 1.04 -1.51 0.00 0.00 179.97 179.02 3bxx n GLN 225 N -4.83 1.54 -1.36 0.20 6.02 -1.26 -1.90 117.38 115.79 3bxx n GLN 225 Ca 0.26 -3.88 -0.33 0.00 -0.01 0.00 0.00 57.00 53.04 3bxx n GLN 225 Cb 0.71 -1.69 0.09 0.00 1.02 0.00 0.00 30.24 30.37 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 -1.80 2.02 -0.06 1.08 0.00 -0.67 -4.50 107.32 103.40 3bxx s GLY 226 Ca 0.37 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.62 3bxx s GLY 226 CO -0.07 0.97 0.18 1.20 0.00 0.00 0.00 173.10 175.38 3bxx s GLN 227 N -4.32 0.27 0.04 2.90 1.11 -1.26 -1.18 119.66 117.22 3bxx s GLN 227 Ca 0.68 0.13 -0.00 0.00 0.01 0.00 0.00 55.36 56.18 3bxx s GLN 227 Cb -0.23 0.12 -0.03 0.00 -1.01 0.00 0.00 33.01 31.87 3bxx s GLN 227 CO 0.49 -0.04 -0.04 -0.06 0.01 0.00 0.00 175.29 175.65 3bxx s PHE 228 N -0.19 0.44 0.27 0.91 0.08 -0.79 -1.78 117.98 116.92 3bxx s PHE 228 Ca -0.03 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.26 3bxx s PHE 228 Cb -0.02 -0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 42.07 3bxx s PHE 228 CO 0.01 -0.26 0.11 0.54 -0.10 0.00 0.00 175.22 175.51 3bxx s VAL 229 N -2.63 0.50 0.08 -0.44 0.11 -1.05 -0.77 120.40 116.19 3bxx s VAL 229 Ca -0.04 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.00 3bxx s VAL 229 Cb -0.01 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 3bxx s VAL 229 CO -0.05 0.00 0.25 -2.28 -3.33 0.00 0.00 175.10 169.69 3bxx s HIS 230 N -3.74 3.51 0.22 1.54 2.46 -1.26 -2.41 115.29 115.61 3bxx s HIS 230 Ca 0.37 0.32 -0.07 0.00 0.47 0.00 0.00 55.06 56.16 3bxx s HIS 230 Cb 0.07 -1.82 0.18 0.00 -0.13 0.00 0.00 32.58 30.89 3bxx s HIS 230 CO 0.14 0.55 1.73 1.25 -2.47 0.00 0.00 174.74 175.95 3bxx h LEU 231 N 3.03 1.01 -1.69 8.88 5.85 -0.94 -2.37 115.31 129.08 3bxx h LEU 231 Ca -0.45 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 3bxx h LEU 231 Cb 1.16 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3bxx h LEU 231 CO 0.75 0.98 -0.06 -0.78 -0.34 0.00 0.00 178.44 178.99 3bxx h ASP 232 N 1.00 0.00 0.00 1.25 3.58 -1.91 -1.55 116.42 118.80 3bxx h ASP 232 Ca 0.21 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 3bxx h ASP 232 Cb 0.38 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 3bxx h ASP 232 CO 0.00 0.06 -0.21 0.44 -2.88 0.00 0.00 179.24 176.65 3bxx h ASP 233 N 0.00 0.00 -1.04 2.28 3.32 -1.89 -3.23 116.42 115.86 3bxx h ASP 233 Ca -0.00 -0.47 0.31 0.00 0.02 0.00 0.00 57.03 56.89 3bxx h ASP 233 Cb 0.45 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.87 3bxx h ASP 233 CO 0.01 0.85 0.62 0.25 -1.72 0.00 0.00 179.24 179.25 3bxx h LEU 234 N -1.00 0.51 0.39 1.55 5.85 -1.48 0.33 115.31 121.46 3bxx h LEU 234 Ca -0.04 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3bxx h LEU 234 Cb 0.62 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3bxx h LEU 234 CO -0.03 -0.06 -0.19 0.00 -0.34 0.00 0.00 178.44 177.82 3bxx h ASN 236 N -0.93 0.40 -0.76 0.00 -0.26 -1.50 0.74 115.58 113.28 3bxx h ASN 236 Ca -0.05 0.08 0.16 0.00 -0.56 0.00 0.00 56.30 55.92 3bxx h ASN 236 Cb 0.40 0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.63 3bxx h ASN 236 CO 0.09 0.06 0.51 0.00 -1.06 0.00 0.00 177.43 177.03 3bxx h ALA 237 N 1.61 2.15 -0.01 -0.83 0.00 -0.34 0.17 119.26 122.01 3bxx h ALA 237 Ca 0.61 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.43 3bxx h ALA 237 Cb 1.63 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.37 3bxx h ALA 237 CO -0.29 -0.36 -0.34 0.45 0.00 0.00 0.00 179.25 178.71 3bxx h HIS 238 N 0.39 0.36 -0.42 0.00 3.86 0.74 -2.62 115.15 117.45 3bxx h HIS 238 Ca 0.37 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3bxx h HIS 238 Cb 0.90 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 3bxx h HIS 238 CO -0.00 0.98 0.10 0.82 0.86 0.00 0.00 177.93 180.69 3bxx h ILE 239 N -0.37 1.19 -0.02 2.45 2.04 -1.44 -0.59 117.51 120.77 3bxx h ILE 239 Ca -0.04 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3bxx h ILE 239 Cb 1.07 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3bxx h ILE 239 CO 0.07 0.25 -0.07 0.22 0.00 0.00 0.00 178.15 178.62 3bxx h TYR 240 N 0.61 -0.17 0.00 1.37 5.03 -0.63 -0.92 116.97 122.26 3bxx h TYR 240 Ca 0.14 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3bxx h TYR 240 Cb 0.24 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.60 3bxx h TYR 240 CO 0.01 -0.11 0.00 -0.07 -1.32 0.00 0.00 178.16 176.67 3bxx h LEU 241 N -0.11 0.00 0.29 2.82 3.38 -1.01 0.52 115.31 121.20 3bxx h LEU 241 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3bxx h LEU 241 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bxx h LEU 241 CO -0.09 0.00 -0.14 0.15 0.09 0.00 0.00 178.44 178.46 3bxx h PHE 242 N 0.00 -0.36 0.00 1.13 3.57 -1.10 -3.38 116.94 116.80 3bxx h PHE 242 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3bxx h PHE 242 Cb 0.73 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3bxx h PHE 242 CO 0.00 -0.22 -0.19 0.93 -2.23 0.00 0.00 178.31 176.60 3bxx h GLU 243 N -1.10 0.00 -5.92 1.11 5.08 -0.68 -3.42 114.58 109.65 3bxx h GLU 243 Ca -0.04 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.72 3bxx h GLU 243 Cb 0.29 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 3bxx h GLU 243 CO 0.06 0.19 0.60 1.21 -1.00 0.00 0.00 179.01 180.07 3bxx s ASN 244 N -6.88 6.35 0.24 1.42 2.47 0.18 -4.94 114.94 113.78 3bxx s ASN 244 Ca -0.04 -0.30 -0.06 0.00 0.42 0.00 0.00 52.86 52.88 3bxx s ASN 244 Cb 0.15 -2.45 0.31 0.00 -1.45 0.00 0.00 41.25 37.82 3bxx s ASN 244 CO 0.68 -1.24 1.86 -0.65 -3.72 0.00 0.00 177.10 174.03 3bxx h PRO 245 N 9.32 0.97 0.00 0.43 0.11 -1.89 -3.06 132.00 137.89 3bxx h PRO 245 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3bxx h PRO 245 Cb 1.07 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3bxx h PRO 245 CO 1.09 0.64 0.00 0.36 -0.21 0.00 0.00 178.00 179.88 3bxx n LYS 246 N -4.60 0.61 -2.04 1.05 2.85 -1.26 -4.90 118.16 109.86 3bxx n LYS 246 Ca 0.12 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 3bxx n LYS 246 Cb 0.15 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 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 -2.02 3.63 0.33 0.58 0.00 -1.16 -5.03 121.76 118.10 3bxx s ALA 247 Ca 0.29 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.37 3bxx s ALA 247 Cb 0.14 -3.69 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3bxx s ALA 247 CO 0.23 -1.17 -0.09 -1.83 0.00 0.00 0.00 175.76 172.90 3bxx s GLU 248 N 3.14 1.86 4.55 0.00 4.04 -1.26 -4.88 118.70 126.14 3bxx s GLU 248 Ca 0.71 -1.86 0.00 0.00 0.04 0.00 0.00 54.97 53.86 3bxx s GLU 248 Cb -0.35 -1.77 0.00 0.00 0.02 0.00 0.00 34.13 32.03 3bxx s GLU 248 CO 0.30 0.18 0.00 0.41 -1.84 0.00 0.00 175.26 174.30 3bxx n GLY 249 N -0.80 1.40 3.98 -3.83 0.00 -1.26 -4.83 105.19 99.85 3bxx n GLY 249 Ca -0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 3.20 -0.23 1.61 0.52 -1.26 -3.33 118.95 119.47 3bxx s ARG 250 Ca 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 3bxx s ARG 250 Cb 0.00 -2.80 0.11 0.00 0.52 0.00 0.00 34.95 32.78 3bxx s ARG 250 CO 0.00 0.11 0.25 0.71 0.02 0.00 0.00 175.30 176.39 3bxx s TYR 251 N -2.19 -0.36 0.31 -0.53 1.51 -0.67 -4.94 117.35 110.47 3bxx s TYR 251 Ca 0.43 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 56.37 3bxx s TYR 251 Cb -0.09 -0.36 -0.10 0.00 -0.11 0.00 0.00 41.96 41.30 3bxx s TYR 251 CO 0.32 -0.70 1.14 0.42 -1.11 0.00 0.00 175.55 175.63 3bxx s ILE 252 N 2.35 3.31 -0.52 2.71 1.01 -1.26 0.39 121.20 129.19 3bxx s ILE 252 Ca 0.08 1.29 0.06 0.00 0.00 0.00 0.00 60.65 62.08 3bxx s ILE 252 Cb -0.15 -3.80 0.22 0.00 0.01 0.00 0.00 42.46 38.73 3bxx s ILE 252 CO -0.18 0.28 0.54 0.00 0.00 0.00 0.00 174.94 175.58 3bxx s SER 254 N -1.31 2.52 -0.14 0.00 0.15 -1.26 -3.86 113.70 109.81 3bxx s SER 254 Ca 0.34 -0.45 0.17 0.00 0.70 0.00 0.00 55.95 56.71 3bxx s SER 254 Cb 0.09 -1.12 -0.25 0.00 -1.71 0.00 0.00 66.02 63.03 3bxx s SER 254 CO -0.12 0.00 0.17 -1.54 1.20 0.00 0.00 173.24 172.96 3bxx n SER 255 N 4.31 0.49 -4.35 5.45 3.41 0.05 -4.03 113.62 118.95 3bxx n SER 255 Ca -0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.25 3bxx n SER 255 Cb 0.51 1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 65.58 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 -2.71 1.63 -0.27 7.33 3.76 -0.98 -5.01 115.29 119.03 3bxx s HIS 256 Ca -0.09 -1.09 -0.14 0.00 -0.15 0.00 0.00 55.06 53.60 3bxx s HIS 256 Cb 0.07 -0.98 0.09 0.00 1.11 0.00 0.00 32.58 32.87 3bxx s HIS 256 CO 0.77 -0.21 0.65 0.16 -0.85 0.00 0.00 174.74 175.26 3bxx s ASP 257 N -3.35 -0.93 -0.19 1.40 1.47 -1.26 -1.88 116.67 111.94 3bxx s ASP 257 Ca 0.36 1.46 -0.29 0.00 1.18 0.00 0.00 52.55 55.26 3bxx s ASP 257 Cb 0.08 1.51 0.12 0.00 -0.34 0.00 0.00 42.92 44.29 3bxx s ASP 257 CO 0.13 -0.23 0.99 0.00 0.68 0.00 0.00 175.17 176.74 3bxx s ILE 259 N -0.71 2.73 0.32 0.00 -4.36 -1.26 -1.67 121.20 116.25 3bxx s ILE 259 Ca -0.01 0.24 0.09 0.00 -0.26 0.00 0.00 60.65 60.71 3bxx s ILE 259 Cb -0.02 -2.55 0.31 0.00 1.25 0.00 0.00 42.46 41.45 3bxx s ILE 259 CO -0.00 -0.31 1.75 -0.29 0.24 0.00 0.00 174.94 176.32 3bxx h ILE 260 N -1.54 0.58 -0.43 8.37 2.10 -1.05 -2.10 117.51 123.45 3bxx h ILE 260 Ca -0.46 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 65.26 3bxx h ILE 260 Cb 1.26 -0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.88 3bxx h ILE 260 CO 0.49 0.11 0.21 -0.07 -1.08 0.00 0.00 178.15 177.82 3bxx h LEU 261 N 0.62 0.55 -0.90 2.19 4.07 -1.89 -0.41 115.31 119.54 3bxx h LEU 261 Ca 0.62 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 58.36 3bxx h LEU 261 Cb 1.16 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3bxx h LEU 261 CO -0.44 0.52 -0.31 0.44 -1.08 0.00 0.00 178.44 177.57 3bxx h ASP 262 N 0.55 0.45 -0.43 -0.43 5.19 -1.73 0.11 116.42 120.13 3bxx h ASP 262 Ca 0.15 -0.17 -0.13 0.00 -0.62 0.00 0.00 57.03 56.26 3bxx h ASP 262 Cb 0.10 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3bxx h ASP 262 CO -0.02 0.74 -0.23 0.25 -3.12 0.00 0.00 179.24 176.86 3bxx h LEU 263 N 0.38 0.94 0.56 1.55 5.85 -1.29 -2.69 115.31 120.61 3bxx h LEU 263 Ca 0.05 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3bxx h LEU 263 Cb 0.73 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3bxx h LEU 263 CO 0.06 1.15 -0.45 0.00 -0.34 0.00 0.00 178.44 178.85 3bxx h ALA 264 N 0.83 -1.17 -0.64 1.25 0.00 -0.63 -1.50 119.26 117.40 3bxx h ALA 264 Ca 0.09 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3bxx h ALA 264 Cb 0.80 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 3bxx h ALA 264 CO 0.07 -1.17 -0.21 1.63 0.00 0.00 0.00 179.25 179.57 3bxx n LYS 265 N -5.22 -0.11 0.02 0.00 5.02 0.33 -1.23 118.16 116.98 3bxx n LYS 265 Ca -0.12 0.99 -0.08 0.00 -2.02 0.00 0.00 58.31 57.08 3bxx n LYS 265 Cb 0.43 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.04 3bxx n LYS 265 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3bxx h MET 266 N 0.00 0.49 -0.15 1.97 4.05 -1.11 -2.24 114.93 117.94 3bxx h MET 266 Ca 0.26 -0.30 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 3bxx h MET 266 Cb 0.42 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 3bxx h MET 266 CO -0.65 0.91 -0.60 -0.07 0.23 0.00 0.00 176.91 176.73 3bxx h LEU 267 N 0.38 0.56 0.04 3.39 3.38 -0.21 -3.06 115.31 119.79 3bxx h LEU 267 Ca 0.01 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3bxx h LEU 267 Cb 1.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3bxx h LEU 267 CO 0.10 1.03 -0.02 -0.09 0.09 0.00 0.00 178.44 179.55 3bxx h ARG 268 N 0.37 -0.05 -0.10 1.13 2.43 -0.95 0.88 114.38 118.10 3bxx h ARG 268 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3bxx h ARG 268 Cb 1.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3bxx h ARG 268 CO 0.11 0.05 -0.08 1.49 -1.51 0.00 0.00 179.97 180.03 3bxx h GLU 269 N -0.14 0.14 0.01 0.20 4.57 -1.50 -2.85 114.58 115.02 3bxx h GLU 269 Ca -0.01 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 3bxx h GLU 269 Cb 0.12 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3bxx h GLU 269 CO 0.01 0.23 -0.84 -0.22 -1.18 0.00 0.00 179.01 177.01 3bxx h LYS 270 N 0.14 0.02 -3.10 1.92 1.63 -1.41 -3.43 116.57 112.34 3bxx h LYS 270 Ca 0.03 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.14 3bxx h LYS 270 Cb 0.23 0.01 -0.38 0.00 -0.60 0.00 0.00 32.23 31.49 3bxx h LYS 270 CO 0.01 1.02 -0.29 0.66 -3.45 0.00 0.00 179.45 177.40 3bxx n TYR 271 N -4.45 3.74 -0.11 1.91 4.01 0.30 -4.90 117.16 117.66 3bxx n TYR 271 Ca -0.24 -4.15 -0.10 0.00 -0.16 0.00 0.00 57.90 53.25 3bxx n TYR 271 Cb 0.63 -0.89 -0.02 0.00 -0.31 0.00 0.00 39.34 38.75 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 5.54 0.50 0.00 -0.72 0.13 -1.73 -3.14 132.00 132.58 3bxx h PRO 272 Ca 0.16 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3bxx h PRO 272 Cb 0.76 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3bxx h PRO 272 CO 0.82 0.50 0.55 1.05 -0.23 0.00 0.00 178.00 180.69 3bxx h GLU 273 N 0.39 0.00 -5.80 0.86 9.09 -1.90 -3.38 114.58 113.83 3bxx h GLU 273 Ca 0.11 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.88 3bxx h GLU 273 Cb 0.20 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.23 3bxx h GLU 273 CO -0.01 0.00 -0.36 0.71 0.05 0.00 0.00 179.01 179.40 3bxx s TYR 274 N -3.49 3.65 -1.20 2.06 2.02 -1.19 -2.36 117.35 116.85 3bxx s TYR 274 Ca -0.01 0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 57.29 3bxx s TYR 274 Cb 0.03 -2.09 0.19 0.00 -0.40 0.00 0.00 41.96 39.69 3bxx s TYR 274 CO 0.10 0.70 1.38 0.54 -1.57 0.00 0.00 175.55 176.70 3bxx s ASN 275 N -1.07 7.13 -0.07 2.29 2.20 -1.26 -5.00 114.94 119.15 3bxx s ASN 275 Ca 0.19 -3.12 -0.19 0.00 -0.94 0.00 0.00 52.86 48.80 3bxx s ASN 275 Cb -0.14 -2.37 -0.05 0.00 -2.00 0.00 0.00 41.25 36.70 3bxx s ASN 275 CO 0.08 -0.66 0.53 -0.63 -2.94 0.00 0.00 177.10 173.49 3bxx s ILE 276 N 1.05 5.09 0.21 0.54 1.01 -1.26 -5.02 121.20 122.81 3bxx s ILE 276 Ca 0.41 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 3bxx s ILE 276 Cb -0.04 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 3bxx s ILE 276 CO -0.01 0.36 1.38 -2.16 0.00 0.00 0.00 174.94 174.51 3bxx s PRO 277 N 0.31 4.32 0.00 2.79 0.04 -1.26 -4.91 135.00 136.30 3bxx s PRO 277 Ca 0.29 2.18 0.27 0.00 0.04 0.00 0.00 61.00 63.78 3bxx s PRO 277 Cb -0.16 -3.16 1.63 0.00 0.04 0.00 0.00 34.50 32.84 3bxx s PRO 277 CO 0.13 -0.36 2.02 0.25 0.04 0.00 0.00 177.00 179.09 3bxx n THR 278 N 2.67 0.00 -4.08 1.26 -2.24 -1.26 -4.83 114.28 105.80 3bxx n THR 278 Ca 0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3bxx n THR 278 Cb 0.41 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 68.05 3bxx n THR 278 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3bxx s GLU 279 N -2.00 0.47 -0.00 -0.78 -1.05 -1.26 -5.10 118.70 108.98 3bxx s GLU 279 Ca 0.41 -0.58 -0.01 0.00 -0.15 0.00 0.00 54.97 54.64 3bxx s GLU 279 Cb 0.19 -0.29 -0.00 0.00 -0.44 0.00 0.00 34.13 33.58 3bxx s GLU 279 CO 0.31 0.06 0.02 -0.06 0.95 0.00 0.00 175.26 176.55 3bxx s PHE 280 N -1.02 0.07 0.30 4.83 0.40 -1.26 -5.13 117.98 116.17 3bxx s PHE 280 Ca -0.07 -0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 55.83 3bxx s PHE 280 Cb -0.08 -0.06 -0.09 0.00 0.51 0.00 0.00 43.02 43.30 3bxx s PHE 280 CO 0.00 -0.10 1.08 0.15 0.70 0.00 0.00 175.22 177.05 3bxx s LYS 281 N -0.63 4.56 0.00 0.44 1.02 -1.26 -3.00 119.74 120.86 3bxx s LYS 281 Ca -0.07 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.66 3bxx s LYS 281 Cb -0.04 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3bxx s LYS 281 CO -0.00 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3bxx n GLY 282 N 1.05 0.29 3.24 -3.33 0.00 -1.26 -4.97 105.19 100.22 3bxx n GLY 282 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.85 4.10 1.01 1.61 1.01 -1.16 -5.08 120.40 120.04 3bxx s VAL 283 Ca 0.00 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 3bxx s VAL 283 Cb 0.00 -3.56 0.22 0.00 0.00 0.00 0.00 36.38 33.04 3bxx s VAL 283 CO 0.00 -0.56 1.30 1.51 0.00 0.00 0.00 175.10 177.35 3bxx s ASP 284 N 2.17 2.68 0.25 3.32 1.47 -1.26 -4.71 116.67 120.59 3bxx s ASP 284 Ca 0.04 0.28 0.25 0.00 1.18 0.00 0.00 52.55 54.29 3bxx s ASP 284 Cb -0.23 -0.31 0.61 0.00 -0.34 0.00 0.00 42.92 42.64 3bxx s ASP 284 CO 0.01 -3.00 1.64 1.05 0.68 0.00 0.00 175.17 175.55 3bxx h GLU 285 N -1.83 0.00 -0.01 2.11 4.11 -2.00 -3.29 114.58 113.67 3bxx h GLU 285 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3bxx h GLU 285 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3bxx h GLU 285 CO 0.35 0.00 -0.24 0.09 0.07 0.00 0.00 179.01 179.28 3bxx n ASN 286 N -2.44 0.77 -4.67 3.06 3.02 -1.26 -4.90 115.26 108.84 3bxx n ASN 286 Ca 0.05 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 3bxx n ASN 286 Cb 0.46 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.58 4.33 -0.08 3.41 2.96 -1.24 -4.92 118.68 120.56 3bxx s LEU 287 Ca 0.23 2.28 -0.30 0.00 -0.22 0.00 0.00 54.13 56.13 3bxx s LEU 287 Cb 0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3bxx s LEU 287 CO 0.53 -0.89 1.43 -0.75 -1.32 0.00 0.00 176.35 175.35 3bxx s LYS 288 N 3.50 4.23 0.22 1.98 2.36 -1.26 -4.92 119.74 125.86 3bxx s LYS 288 Ca 0.72 1.92 -0.31 0.00 -2.55 0.00 0.00 55.97 55.75 3bxx s LYS 288 Cb -0.35 -3.78 -0.14 0.00 -1.05 0.00 0.00 37.83 32.51 3bxx s LYS 288 CO 0.30 -0.71 1.24 0.45 1.55 0.00 0.00 175.35 178.18 3bxx n SER 289 N 6.38 1.93 -4.90 1.43 2.88 -1.26 -4.97 113.62 115.12 3bxx n SER 289 Ca 0.15 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.53 3bxx n SER 289 Cb 0.44 -1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 62.53 3bxx n SER 289 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3bxx s VAL 290 N -0.32 5.11 -0.06 2.46 1.01 -1.26 -4.96 120.40 122.38 3bxx s VAL 290 Ca 0.68 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.78 3bxx s VAL 290 Cb -0.74 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3bxx s VAL 290 CO 0.53 -0.05 -0.23 0.00 0.00 0.00 0.00 175.10 175.35 3bxx s PHE 292 N -0.05 2.99 -0.25 0.00 0.40 -1.26 -0.35 117.98 119.44 3bxx s PHE 292 Ca -0.05 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.44 3bxx s PHE 292 Cb -0.13 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 3bxx s PHE 292 CO 0.04 -0.41 0.25 0.45 0.70 0.00 0.00 175.22 176.25 3bxx s SER 293 N 1.26 6.16 0.00 1.36 0.15 -1.03 -4.60 113.70 117.00 3bxx s SER 293 Ca 0.03 0.17 0.19 0.00 0.70 0.00 0.00 55.95 57.05 3bxx s SER 293 Cb -0.14 -2.15 0.52 0.00 -1.71 0.00 0.00 66.02 62.54 3bxx s SER 293 CO -0.00 -0.05 1.44 -1.20 1.20 0.00 0.00 173.24 174.63 3bxx n SER 294 N 4.79 2.96 -0.33 5.45 7.64 -1.26 -4.63 113.62 128.25 3bxx n SER 294 Ca -0.12 -1.96 0.19 0.00 1.01 0.00 0.00 58.87 57.99 3bxx n SER 294 Cb 0.52 -0.31 0.36 0.00 -1.01 0.00 0.00 64.21 63.76 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 1.13 -0.07 -0.31 1.43 4.81 -1.26 0.18 118.16 124.07 3bxx n LYS 295 Ca 0.19 1.42 -0.02 0.00 -0.87 0.00 0.00 58.31 59.03 3bxx n LYS 295 Cb 0.49 -2.33 0.11 0.00 0.02 0.00 0.00 35.03 33.32 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 1.01 0.63 1.64 3.64 -1.93 0.16 116.57 121.72 3bxx h LYS 296 Ca 0.65 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.94 3bxx h LYS 296 Cb 1.47 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3bxx h LYS 296 CO -0.86 0.67 -0.30 1.25 -2.27 0.00 0.00 179.45 177.93 3bxx h LEU 297 N 1.04 -0.72 -2.36 5.20 5.85 0.17 -3.17 115.31 121.32 3bxx h LEU 297 Ca 0.34 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3bxx h LEU 297 Cb 0.02 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3bxx h LEU 297 CO -0.12 -0.36 -0.03 0.71 -0.34 0.00 0.00 178.44 178.30 3bxx h THR 298 N -1.10 0.47 -0.25 1.05 1.35 -0.06 0.26 112.91 114.63 3bxx h THR 298 Ca -0.09 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3bxx h THR 298 Cb 0.69 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3bxx h THR 298 CO 0.14 0.03 0.05 0.44 -0.25 0.00 0.00 175.52 175.94 3bxx h ASP 299 N 0.00 0.32 0.73 5.36 3.32 -0.66 -3.12 116.42 122.37 3bxx h ASP 299 Ca -0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3bxx h ASP 299 Cb 0.10 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3bxx h ASP 299 CO 0.00 0.33 -0.55 -0.07 -1.72 0.00 0.00 179.24 177.24 3bxx h LEU 300 N 0.35 0.00 0.00 1.55 3.38 -0.48 -3.47 115.31 116.64 3bxx h LEU 300 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3bxx h LEU 300 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3bxx h LEU 300 CO -0.00 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.69 3bxx n GLY 301 N 0.31 3.06 3.48 0.83 0.00 -1.18 -5.15 105.19 106.55 3bxx n GLY 301 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -0.29 -3.36 1.61 7.35 -1.26 -5.03 117.46 116.48 3bxx n PHE 302 Ca 0.00 0.56 -0.14 0.00 -0.76 0.00 0.00 57.45 57.12 3bxx n PHE 302 Cb 0.00 -2.02 -0.08 0.00 0.35 0.00 0.00 39.48 37.73 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 -1.76 0.35 -0.27 -4.13 2.02 -1.26 -4.52 118.70 109.14 3bxx s GLU 303 Ca 0.64 0.03 -0.41 0.00 0.02 0.00 0.00 54.97 55.26 3bxx s GLU 303 Cb -0.56 -0.54 -0.16 0.00 0.10 0.00 0.00 34.13 32.97 3bxx s GLU 303 CO 0.57 -0.98 1.69 1.19 0.02 0.00 0.00 175.26 177.75 3bxx n PHE 304 N 5.33 1.97 1.15 1.61 3.72 -1.26 -4.87 117.46 125.11 3bxx n PHE 304 Ca -0.01 0.61 0.12 0.00 -0.05 0.00 0.00 57.45 58.12 3bxx n PHE 304 Cb 0.48 -2.42 0.22 0.00 -0.94 0.00 0.00 39.48 36.82 3bxx n PHE 304 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3bxx n LYS 305 N 4.98 1.07 -4.19 -1.08 4.76 -1.26 -5.00 118.16 117.44 3bxx n LYS 305 Ca 0.26 -0.76 -0.19 0.00 -2.87 0.00 0.00 58.31 54.75 3bxx n LYS 305 Cb 0.11 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 31.70 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 -2.45 1.29 0.14 2.13 2.02 -1.26 -5.14 117.35 114.07 3bxx s TYR 306 Ca 0.23 -0.48 0.09 0.00 -0.37 0.00 0.00 57.07 56.54 3bxx s TYR 306 Cb 0.19 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 3bxx s TYR 306 CO 0.53 0.08 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.85 3bxx s SER 307 N -1.88 2.66 0.44 2.29 1.04 -1.26 -4.98 113.70 112.01 3bxx s SER 307 Ca 0.01 -0.78 0.32 0.00 0.48 0.00 0.00 55.95 55.97 3bxx s SER 307 Cb -0.09 -0.15 1.48 0.00 0.10 0.00 0.00 66.02 67.35 3bxx s SER 307 CO 0.02 0.01 1.59 0.25 0.98 0.00 0.00 173.24 176.10 3bxx h LEU 308 N 3.61 0.21 -0.50 2.42 5.85 -1.98 0.82 115.31 125.75 3bxx h LEU 308 Ca -0.44 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3bxx h LEU 308 Cb 1.19 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3bxx h LEU 308 CO 0.46 -0.24 0.05 -0.33 -0.34 0.00 0.00 178.44 178.04 3bxx h GLU 309 N 0.03 0.84 0.75 1.25 3.07 -1.99 -2.90 114.58 115.63 3bxx h GLU 309 Ca 0.87 -0.24 -0.04 0.00 -0.50 0.00 0.00 59.36 59.45 3bxx h GLU 309 Cb 2.77 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 30.59 3bxx h GLU 309 CO -0.46 0.85 -0.40 -0.44 -1.40 0.00 0.00 179.01 177.17 3bxx h ASP 310 N 0.71 -0.97 -0.94 1.42 3.32 0.26 -1.10 116.42 119.12 3bxx h ASP 310 Ca 0.15 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.36 3bxx h ASP 310 Cb 0.44 0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.12 3bxx h ASP 310 CO 0.02 -0.64 -0.48 0.24 -1.72 0.00 0.00 179.24 176.65 3bxx h MET 311 N -1.05 -0.03 -0.32 3.56 2.86 -1.56 -0.80 114.93 117.59 3bxx h MET 311 Ca -0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3bxx h MET 311 Cb 0.82 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3bxx h MET 311 CO 0.14 -0.02 0.20 0.74 1.06 0.00 0.00 176.91 179.03 3bxx h PHE 312 N -0.03 0.42 -0.71 -0.22 -1.00 -1.53 -0.78 116.94 113.08 3bxx h PHE 312 Ca 0.24 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.14 3bxx h PHE 312 Cb 0.51 -0.14 -0.08 0.00 3.61 0.00 0.00 35.95 39.86 3bxx h PHE 312 CO -0.92 0.29 0.32 1.79 -1.61 0.00 0.00 178.31 178.18 3bxx h THR 313 N 0.42 0.77 -0.36 -1.55 1.35 0.05 0.20 112.91 113.79 3bxx h THR 313 Ca 0.12 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3bxx h THR 313 Cb -0.01 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.60 3bxx h THR 313 CO -0.02 0.10 0.23 1.23 -0.25 0.00 0.00 175.52 176.80 3bxx h GLY 314 N 0.52 0.51 0.96 5.82 0.00 -0.88 0.50 103.07 110.51 3bxx h GLY 314 Ca 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3bxx h GLY 314 CO -0.32 0.20 -0.26 0.00 0.00 0.00 0.00 176.54 176.16 3bxx h ALA 315 N 1.11 -0.70 -0.22 3.60 0.00 -0.36 0.33 119.26 123.02 3bxx h ALA 315 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bxx h ALA 315 Cb -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bxx h ALA 315 CO -0.03 -0.90 0.10 0.28 0.00 0.00 0.00 179.25 178.71 3bxx h VAL 316 N -0.70 1.15 0.07 0.00 2.07 -0.58 -1.36 116.25 116.90 3bxx h VAL 316 Ca -0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3bxx h VAL 316 Cb 0.55 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3bxx h VAL 316 CO 0.09 0.15 -0.07 0.44 0.02 0.00 0.00 177.57 178.20 3bxx h ASP 317 N 0.22 -0.19 -0.27 0.57 5.19 0.08 -1.21 116.42 120.81 3bxx h ASP 317 Ca 0.08 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3bxx h ASP 317 Cb 0.15 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3bxx h ASP 317 CO -0.01 -0.11 0.04 0.74 -3.12 0.00 0.00 179.24 176.78 3bxx h THR 318 N -0.16 1.23 -0.30 0.35 2.02 -0.89 -1.35 112.91 113.80 3bxx h THR 318 Ca 0.01 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.47 3bxx h THR 318 Cb 0.16 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 3bxx h THR 318 CO -0.02 0.25 -0.16 0.00 0.37 0.00 0.00 175.52 175.96 3bxx h ARG 320 N -0.12 -0.18 -0.16 0.00 3.08 -1.05 0.36 114.38 116.31 3bxx h ARG 320 Ca 0.16 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3bxx h ARG 320 Cb 0.36 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 3bxx h ARG 320 CO -0.38 -0.12 -0.26 0.00 -1.07 0.00 0.00 179.97 178.14 3bxx h ALA 321 N 0.84 -0.23 0.00 0.04 0.00 -0.32 0.17 119.26 119.77 3bxx h ALA 321 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bxx h ALA 321 Cb 0.31 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3bxx h ALA 321 CO -0.21 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 179.96 3bxx n LYS 322 N -5.38 0.81 -3.27 0.00 5.02 0.19 -4.86 118.16 110.66 3bxx n LYS 322 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 3bxx n LYS 322 Cb 0.29 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.67 -0.27 0.23 0.72 0.00 0.61 -4.93 105.19 102.23 3bxx n GLY 323 Ca 0.20 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.82 2.14 -4.88 0.99 4.77 -0.06 -4.96 117.00 111.18 3bxx n LEU 324 Ca -0.20 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 3bxx n LEU 324 Cb 0.63 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3bxx n LEU 324 CO 0.53 0.62 0.17 -0.76 -1.33 0.00 0.00 177.39 176.62 3bxx s LEU 325 N -6.77 4.20 0.55 2.23 1.43 -1.20 -5.00 118.68 114.12 3bxx s LEU 325 Ca -0.29 0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 53.44 3bxx s LEU 325 Cb 0.10 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3bxx s LEU 325 CO 0.42 -0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.30 3bxx s PRO 326 N -2.75 3.26 0.54 1.29 0.02 -1.26 -4.42 135.00 131.67 3bxx s PRO 326 Ca 0.45 1.75 0.20 0.00 0.02 0.00 0.00 61.00 63.43 3bxx s PRO 326 Cb -0.11 -2.05 1.41 0.00 0.02 0.00 0.00 34.50 33.77 3bxx s PRO 326 CO 0.22 -0.96 2.15 -1.35 -0.33 0.00 0.00 177.00 176.73 3bxx h PRO 327 N 1.22 0.00 -2.38 5.54 0.11 -1.98 -3.47 132.00 131.03 3bxx h PRO 327 Ca -0.50 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.78 3bxx h PRO 327 Cb 1.28 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 3bxx h PRO 327 CO 0.57 0.00 0.52 -1.54 -0.21 0.00 0.00 178.00 177.33 3bxx s SER 328 N -6.72 -0.11 0.00 -2.05 1.04 -1.26 -4.91 113.70 99.69 3bxx s SER 328 Ca -0.05 -0.50 0.29 0.00 0.48 0.00 0.00 55.95 56.17 3bxx s SER 328 Cb 0.17 0.49 1.25 0.00 0.10 0.00 0.00 66.02 68.03 3bxx s SER 328 CO 0.65 -0.94 1.86 1.41 0.98 0.00 0.00 173.24 177.20