#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 3.59 -0.08 2.62 2.01 -1.26 -0.64 115.64 121.88 3bxx s THR 7 Ca 0.00 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3bxx s THR 7 Cb 0.00 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.63 3bxx s THR 7 CO 0.00 0.04 -0.09 0.54 -0.69 0.00 0.00 174.62 174.42 3bxx s VAL 8 N 1.42 0.97 0.83 3.82 0.11 -1.16 -1.50 120.40 124.90 3bxx s VAL 8 Ca 0.00 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 3bxx s VAL 8 Cb -0.18 -0.94 0.09 0.00 -1.53 0.00 0.00 36.38 33.82 3bxx s VAL 8 CO 0.01 0.33 1.09 0.00 -3.33 0.00 0.00 175.10 173.20 3bxx s VAL 10 N -2.88 -0.40 0.12 0.00 1.01 -1.23 -2.38 120.40 114.64 3bxx s VAL 10 Ca 0.62 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 3bxx s VAL 10 Cb -0.18 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 3bxx s VAL 10 CO 0.57 -0.43 0.85 0.42 0.00 0.00 0.00 175.10 176.51 3bxx s THR 11 N 2.36 4.48 -0.16 3.92 -4.23 0.54 -3.09 115.64 119.46 3bxx s THR 11 Ca 0.09 1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 62.43 3bxx s THR 11 Cb -0.14 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.49 3bxx s THR 11 CO -0.30 0.41 0.14 0.61 -0.54 0.00 0.00 174.62 174.94 3bxx n GLY 12 N 2.01 0.74 0.32 3.99 0.00 -0.79 -0.69 105.19 110.77 3bxx n GLY 12 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 0.12 1.71 -0.21 4.61 0.00 -1.13 -1.21 119.26 123.14 3bxx h ALA 13 Ca -0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3bxx h ALA 13 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3bxx h ALA 13 CO 0.06 0.26 0.15 0.66 0.00 0.00 0.00 179.25 180.38 3bxx h SER 14 N 0.61 0.04 -2.87 0.00 4.64 -1.78 -1.90 113.55 112.28 3bxx h SER 14 Ca 0.19 -0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.10 3bxx h SER 14 Cb 0.00 -0.01 0.22 0.00 -0.31 0.00 0.00 62.40 62.30 3bxx h SER 14 CO -0.04 0.02 -0.25 0.61 -0.87 0.00 0.00 176.83 176.30 3bxx n GLY 15 N -1.57 -2.69 0.06 -0.77 0.00 -0.46 -4.55 105.19 95.22 3bxx n GLY 15 Ca 0.02 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3bxx n GLY 15 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bxx h PHE 16 N -2.90 0.05 0.17 1.61 3.57 -1.88 0.37 116.94 117.94 3bxx h PHE 16 Ca -0.54 -0.01 -0.27 0.00 3.53 0.00 0.00 57.97 60.68 3bxx h PHE 16 Cb 1.31 -0.01 0.03 0.00 2.79 0.00 0.00 35.95 40.07 3bxx h PHE 16 CO -1.02 0.38 -1.16 0.82 -2.23 0.00 0.00 178.31 175.11 3bxx h ILE 17 N -0.29 1.37 -0.99 1.41 2.04 -1.93 -3.34 117.51 115.77 3bxx h ILE 17 Ca 0.01 -2.55 0.10 0.00 1.00 0.00 0.00 64.86 63.41 3bxx h ILE 17 Cb 0.36 2.99 -0.13 0.00 -0.74 0.00 0.00 36.82 39.31 3bxx h ILE 17 CO 0.00 0.75 -0.56 0.61 0.00 0.00 0.00 178.15 178.96 3bxx n GLY 18 N 1.58 -2.50 0.13 5.37 0.00 -1.10 -1.02 105.19 107.65 3bxx n GLY 18 Ca -0.15 1.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.93 3bxx n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bxx h SER 19 N 0.00 0.32 -0.90 1.61 4.64 0.60 0.44 113.55 120.25 3bxx h SER 19 Ca 0.19 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 3bxx h SER 19 Cb 0.43 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3bxx h SER 19 CO -0.94 0.54 0.59 -0.25 -0.87 0.00 0.00 176.83 175.90 3bxx h TRP 20 N 0.09 1.08 -0.36 4.77 2.91 -1.67 0.70 115.95 123.47 3bxx h TRP 20 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 3bxx h TRP 20 Cb 0.37 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 3bxx h TRP 20 CO 0.03 0.61 0.11 1.25 -1.03 0.00 0.00 178.44 179.40 3bxx h LEU 21 N 1.10 0.47 0.02 0.65 5.85 -0.76 -2.56 115.31 120.07 3bxx h LEU 21 Ca 0.37 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 3bxx h LEU 21 Cb 0.08 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3bxx h LEU 21 CO -0.12 0.46 -0.46 0.58 -0.34 0.00 0.00 178.44 178.56 3bxx h VAL 22 N 0.51 1.51 -0.23 1.05 2.07 0.69 -1.47 116.25 120.38 3bxx h VAL 22 Ca 0.12 -2.11 0.06 0.00 0.82 0.00 0.00 66.70 65.59 3bxx h VAL 22 Cb 0.17 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 3bxx h VAL 22 CO -0.01 0.59 -0.28 -0.03 0.02 0.00 0.00 177.57 177.87 3bxx h MET 23 N -0.36 -0.28 0.27 1.57 1.85 0.36 -2.02 114.93 116.32 3bxx h MET 23 Ca -0.06 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3bxx h MET 23 Cb 1.22 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.32 3bxx h MET 23 CO 0.09 -0.19 -0.13 0.00 -0.40 0.00 0.00 176.91 176.28 3bxx h ARG 24 N -0.29 -0.35 -1.30 0.39 2.47 -1.56 -2.67 114.38 111.07 3bxx h ARG 24 Ca 0.13 0.02 0.38 0.00 -1.26 0.00 0.00 59.98 59.25 3bxx h ARG 24 Cb 0.50 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.83 3bxx h ARG 24 CO -0.40 -0.22 0.92 -0.07 0.56 0.00 0.00 179.97 180.76 3bxx h LEU 25 N -0.38 0.08 0.01 3.04 3.38 -0.57 -0.74 115.31 120.12 3bxx h LEU 25 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bxx h LEU 25 Cb 0.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3bxx h LEU 25 CO 0.06 -0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.51 3bxx h LEU 26 N 0.06 -0.01 -0.58 1.67 3.38 -1.31 -2.74 115.31 115.78 3bxx h LEU 26 Ca 0.64 -0.66 0.16 0.00 0.09 0.00 0.00 57.88 58.11 3bxx h LEU 26 Cb 2.42 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 43.06 3bxx h LEU 26 CO -0.08 0.81 0.03 -0.62 0.09 0.00 0.00 178.44 178.67 3bxx n GLU 27 N -4.68 -0.05 -0.15 1.13 1.02 -0.33 0.08 120.64 117.66 3bxx n GLU 27 Ca -0.07 0.86 0.02 0.00 -0.02 0.00 0.00 57.16 57.95 3bxx n GLU 27 Cb 0.33 -1.38 0.08 0.00 -0.02 0.00 0.00 31.44 30.45 3bxx n GLU 27 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3bxx n ARG 28 N -4.70 1.65 -0.96 3.49 0.63 -0.93 -4.89 116.66 110.94 3bxx n ARG 28 Ca 0.14 -0.65 0.00 0.00 -0.92 0.00 0.00 57.85 56.42 3bxx n ARG 28 Cb 0.46 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.94 3bxx n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bxx n GLY 29 N 0.42 0.58 3.79 5.14 0.00 0.11 -5.06 105.19 110.17 3bxx n GLY 29 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3bxx n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bxx s TYR 30 N -2.50 2.86 0.61 1.61 1.51 -1.03 -3.83 117.35 116.57 3bxx s TYR 30 Ca 0.00 1.55 -0.08 0.00 -1.01 0.00 0.00 57.07 57.52 3bxx s TYR 30 Cb 0.00 -3.12 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 3bxx s TYR 30 CO 0.00 -1.23 0.96 0.99 -1.11 0.00 0.00 175.55 175.16 3bxx s THR 31 N -2.12 4.09 0.05 -0.71 2.01 0.19 -4.32 115.64 114.84 3bxx s THR 31 Ca 0.68 0.37 0.00 0.00 0.31 0.00 0.00 61.69 63.05 3bxx s THR 31 Cb -0.19 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3bxx s THR 31 CO 0.30 -0.74 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.76 3bxx s VAL 32 N -3.08 0.32 -0.69 3.82 1.01 -0.89 -2.97 120.40 117.91 3bxx s VAL 32 Ca 0.54 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 61.01 3bxx s VAL 32 Cb -0.11 -1.17 0.26 0.00 0.00 0.00 0.00 36.38 35.36 3bxx s VAL 32 CO 0.49 -0.80 0.84 0.54 0.00 0.00 0.00 175.10 176.18 3bxx n ARG 33 N 0.56 2.80 -1.75 2.72 1.74 -0.77 -2.76 116.66 119.19 3bxx n ARG 33 Ca -0.17 -4.67 -0.42 0.00 -0.77 0.00 0.00 57.85 51.83 3bxx n ARG 33 Cb 0.59 -2.29 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 3bxx n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bxx n ALA 34 N 0.87 2.28 -2.99 7.54 0.00 0.30 -3.51 120.51 124.99 3bxx n ALA 34 Ca 0.30 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.93 3bxx n ALA 34 Cb 0.40 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.29 3bxx n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bxx s THR 35 N -0.69 0.39 0.24 0.00 -4.23 -1.18 -1.06 115.64 109.12 3bxx s THR 35 Ca 0.58 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 3bxx s THR 35 Cb -0.50 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 3bxx s THR 35 CO 0.58 0.13 0.32 0.68 -0.54 0.00 0.00 174.62 175.79 3bxx s VAL 36 N 0.14 0.00 -0.07 2.29 -7.23 -0.88 -1.00 120.40 113.65 3bxx s VAL 36 Ca -0.01 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3bxx s VAL 36 Cb -0.05 -2.40 -0.30 0.00 0.56 0.00 0.00 36.38 34.20 3bxx s VAL 36 CO -0.00 0.00 0.66 0.03 -0.31 0.00 0.00 175.10 175.48 3bxx h ARG 37 N 2.39 0.34 -3.50 4.82 3.08 -1.85 0.31 114.38 119.97 3bxx h ARG 37 Ca -0.30 -0.58 -0.62 0.00 0.07 0.00 0.00 59.98 58.55 3bxx h ARG 37 Cb 1.25 0.21 -0.40 0.00 0.08 0.00 0.00 29.97 31.11 3bxx h ARG 37 CO 0.43 1.28 -0.71 0.34 -1.07 0.00 0.00 179.97 180.24 3bxx s ASP 38 N -7.18 4.09 0.54 7.04 -1.08 -1.26 -4.49 116.67 114.32 3bxx s ASP 38 Ca -0.17 -2.45 0.20 0.00 -0.52 0.00 0.00 52.55 49.61 3bxx s ASP 38 Cb 0.05 -1.26 1.40 0.00 -1.46 0.00 0.00 42.92 41.64 3bxx s ASP 38 CO 0.82 -0.31 2.14 1.55 0.52 0.00 0.00 175.17 179.90 3bxx h PRO 39 N 7.09 0.00 0.00 4.34 0.13 -1.95 -3.20 132.00 138.41 3bxx h PRO 39 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3bxx h PRO 39 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3bxx h PRO 39 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 3bxx n THR 40 N -4.36 0.03 -3.07 1.56 -2.24 -1.26 -4.71 114.28 100.23 3bxx n THR 40 Ca -0.01 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3bxx n THR 40 Cb 0.18 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 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 6.26 0.11 3.42 3.84 -1.21 -4.97 114.94 119.81 3bxx s ASN 41 Ca 0.28 -0.74 -0.21 0.00 0.21 0.00 0.00 52.86 52.39 3bxx s ASN 41 Cb 0.20 -2.33 -0.09 0.00 -0.55 0.00 0.00 41.25 38.48 3bxx s ASN 41 CO 0.45 -0.98 1.74 0.58 -2.79 0.00 0.00 177.10 176.10 3bxx h VAL 42 N 5.91 0.95 -0.93 -5.21 2.07 -1.91 -1.94 116.25 115.17 3bxx h VAL 42 Ca -0.27 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 67.51 3bxx h VAL 42 Cb 1.09 0.88 -0.17 0.00 -1.52 0.00 0.00 31.29 31.57 3bxx h VAL 42 CO 1.00 0.01 0.10 1.17 0.02 0.00 0.00 177.57 179.86 3bxx n LYS 43 N -5.09 -0.07 0.25 1.57 0.00 -1.26 -0.85 118.16 112.70 3bxx n LYS 43 Ca -0.05 1.38 0.14 0.00 0.00 0.00 0.00 58.31 59.78 3bxx n LYS 43 Cb 0.06 -2.23 0.52 0.00 0.00 0.00 0.00 35.03 33.38 3bxx n LYS 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3bxx h LYS 44 N 0.00 0.00 0.00 1.64 1.79 -1.72 -3.40 116.57 114.88 3bxx h LYS 44 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 3bxx h LYS 44 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 3bxx h LYS 44 CO -0.85 0.08 -0.66 1.33 -1.08 0.00 0.00 179.45 178.27 3bxx n VAL 45 N -3.19 0.00 -0.25 0.50 0.24 -0.03 -4.38 118.33 111.22 3bxx n VAL 45 Ca 0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.34 3bxx n VAL 45 Cb 0.39 -0.28 0.16 0.00 -1.47 0.00 0.00 33.84 32.64 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 0.50 0.00 7.34 3.64 -1.41 -0.93 116.57 125.71 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 0.41 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3bxx h LYS 46 CO 0.00 0.33 -0.25 1.12 -2.27 0.00 0.00 179.45 178.38 3bxx h HIS 47 N 0.52 0.00 -0.10 1.91 2.07 -1.83 0.92 115.15 118.63 3bxx h HIS 47 Ca 0.38 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.81 3bxx h HIS 47 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 3bxx h HIS 47 CO -0.14 0.25 -0.31 -0.07 -3.07 0.00 0.00 177.93 174.60 3bxx h LEU 48 N 0.00 0.44 -0.01 6.12 3.38 -1.47 -3.33 115.31 120.44 3bxx h LEU 48 Ca -0.00 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 3bxx h LEU 48 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3bxx h LEU 48 CO 0.03 0.97 -0.04 -0.07 0.09 0.00 0.00 178.44 179.43 3bxx h LEU 49 N -0.07 0.05 -1.78 1.67 3.38 -1.18 -3.19 115.31 114.18 3bxx h LEU 49 Ca -0.01 -0.65 0.35 0.00 0.09 0.00 0.00 57.88 57.66 3bxx h LEU 49 Cb 0.93 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3bxx h LEU 49 CO 0.07 0.69 1.00 0.44 0.09 0.00 0.00 178.44 180.73 3bxx h ASP 50 N -0.59 0.00 -2.04 -0.43 3.32 -0.99 -3.41 116.42 112.27 3bxx h ASP 50 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 3bxx h ASP 50 Cb 0.69 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.32 3bxx h ASP 50 CO 0.01 0.00 0.23 0.18 -1.72 0.00 0.00 179.24 177.94 3bxx n LEU 51 N -3.83 1.55 -4.75 1.55 4.77 -1.21 -4.92 117.00 110.17 3bxx n LEU 51 Ca 0.27 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 57.06 3bxx n LEU 51 Cb 1.39 -1.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3bxx n LEU 51 CO 0.36 -1.34 0.77 -2.16 -1.33 0.00 0.00 177.39 173.68 3bxx s PRO 52 N -0.63 2.47 0.00 3.23 0.04 -1.26 -2.62 135.00 136.23 3bxx s PRO 52 Ca 0.70 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3bxx s PRO 52 Cb -0.82 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3bxx s PRO 52 CO 0.54 -1.54 0.00 1.63 0.04 0.00 0.00 177.00 177.67 3bxx n LYS 53 N -2.55 -0.18 -0.04 4.56 4.76 -1.26 -4.88 118.16 118.58 3bxx n LYS 53 Ca 0.12 0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.47 3bxx n LYS 53 Cb 0.51 -3.16 -0.08 0.00 -1.84 0.00 0.00 35.03 30.45 3bxx n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bxx h ALA 54 N 0.00 0.15 0.28 7.82 0.00 -1.74 -0.05 119.26 125.73 3bxx h ALA 54 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bxx h ALA 54 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3bxx h ALA 54 CO 0.00 0.08 -0.29 0.93 0.00 0.00 0.00 179.25 179.97 3bxx h GLU 55 N -0.16 -0.59 -0.00 0.00 5.08 -1.86 -0.40 114.58 116.65 3bxx h GLU 55 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3bxx h GLU 55 Cb 0.78 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3bxx h GLU 55 CO 0.04 -0.39 -0.22 0.25 -1.00 0.00 0.00 179.01 177.69 3bxx n THR 56 N -5.41 0.00 -1.35 1.13 -2.24 -1.24 -4.44 114.28 100.72 3bxx n THR 56 Ca -0.09 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3bxx n THR 56 Cb 0.31 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.02 0.00 -4.50 4.78 8.25 -0.03 -5.08 115.22 117.61 3bxx n HIS 57 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.37 3bxx n HIS 57 Cb 0.31 0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 1.96 -0.03 2.41 2.96 -0.16 -2.09 118.68 123.72 3bxx s LEU 58 Ca 0.00 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3bxx s LEU 58 Cb 0.00 -0.61 0.03 0.00 0.50 0.00 0.00 46.19 46.11 3bxx s LEU 58 CO 0.00 0.13 0.01 0.42 -1.32 0.00 0.00 176.35 175.58 3bxx s THR 59 N -0.15 0.18 0.24 3.68 -4.23 -1.11 -4.81 115.64 109.44 3bxx s THR 59 Ca 0.02 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.56 3bxx s THR 59 Cb -0.06 -0.29 -0.07 0.00 1.34 0.00 0.00 72.50 73.42 3bxx s THR 59 CO -0.00 0.16 0.56 -0.76 -0.54 0.00 0.00 174.62 174.04 3bxx s LEU 60 N 1.22 4.14 -0.06 4.79 1.43 -1.26 -0.54 118.68 128.41 3bxx s LEU 60 Ca -0.07 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 3bxx s LEU 60 Cb -0.13 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.42 3bxx s LEU 60 CO -0.02 -0.10 0.13 0.26 0.23 0.00 0.00 176.35 176.85 3bxx s TRP 61 N -1.87 -0.14 -0.24 0.29 0.52 -0.22 -4.94 118.94 112.35 3bxx s TRP 61 Ca 0.47 0.41 -0.19 0.00 0.02 0.00 0.00 56.10 56.81 3bxx s TRP 61 Cb -0.11 -0.06 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 3bxx s TRP 61 CO 0.22 -0.13 0.58 0.21 0.02 0.00 0.00 176.95 177.84 3bxx s LYS 62 N 0.88 4.13 0.19 4.98 2.20 -1.26 -2.08 119.74 128.78 3bxx s LYS 62 Ca -0.07 0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 55.79 3bxx s LYS 62 Cb -0.09 -3.62 0.05 0.00 -1.51 0.00 0.00 37.83 32.66 3bxx s LYS 62 CO -0.04 -0.32 0.63 0.00 -0.36 0.00 0.00 175.35 175.26 3bxx s ALA 63 N 2.19 -1.47 -0.24 3.13 0.00 0.11 -4.90 121.76 120.58 3bxx s ALA 63 Ca 0.25 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3bxx s ALA 63 Cb -0.16 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.92 3bxx s ALA 63 CO 0.09 -0.84 0.56 0.34 0.00 0.00 0.00 175.76 175.91 3bxx s ASP 64 N -2.80 -0.76 0.25 0.00 -1.08 -1.26 -3.00 116.67 108.02 3bxx s ASP 64 Ca 0.04 1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 53.31 3bxx s ASP 64 Cb -0.02 1.35 0.52 0.00 -1.46 0.00 0.00 42.92 43.31 3bxx s ASP 64 CO -0.07 -0.22 1.69 -0.07 0.52 0.00 0.00 175.17 177.01 3bxx h LEU 65 N 7.37 0.08 0.00 -1.34 3.38 -1.96 0.10 115.31 122.95 3bxx h LEU 65 Ca -0.28 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3bxx h LEU 65 Cb 1.18 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3bxx h LEU 65 CO 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.69 3bxx n ALA 66 N -2.63 1.64 -3.92 1.53 0.00 -1.26 -4.30 120.51 111.56 3bxx n ALA 66 Ca 0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 3bxx n ALA 66 Cb 0.50 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.10 4.64 -0.23 0.00 1.01 0.36 -5.08 116.67 115.26 3bxx s ASP 67 Ca 0.07 -1.44 -0.38 0.00 0.71 0.00 0.00 52.55 51.51 3bxx s ASP 67 Cb 0.03 -1.62 -0.14 0.00 1.01 0.00 0.00 42.92 42.21 3bxx s ASP 67 CO 0.06 -0.24 1.83 1.21 0.21 0.00 0.00 175.17 178.24 3bxx n GLU 68 N 4.48 1.46 0.00 8.23 2.13 -1.26 -2.54 120.64 133.13 3bxx n GLU 68 Ca -0.12 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3bxx n GLU 68 Cb 0.42 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 4.46 2.07 0.00 8.31 0.00 -1.26 -4.93 105.19 113.84 3bxx n GLY 69 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 3bxx n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bxx n SER 70 N 0.00 0.00 -0.14 1.61 3.41 -1.05 -1.69 113.62 115.75 3bxx n SER 70 Ca 0.00 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3bxx n SER 70 Cb 0.00 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3bxx n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3bxx n PHE 71 N -1.11 0.00 0.08 7.33 3.72 -1.26 -4.54 117.46 121.68 3bxx n PHE 71 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 3bxx n PHE 71 Cb 0.01 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.71 -0.83 -0.22 4.37 5.19 -1.72 -0.52 116.42 123.40 3bxx h ASP 72 Ca 0.00 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.56 3bxx h ASP 72 Cb 0.47 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 3bxx h ASP 72 CO 0.00 -0.31 0.20 -0.33 -3.12 0.00 0.00 179.24 175.69 3bxx h GLU 73 N -0.43 0.00 0.00 3.56 4.39 -1.87 0.20 114.58 120.43 3bxx h GLU 73 Ca -0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 3bxx h GLU 73 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3bxx h GLU 73 CO -0.13 0.00 -0.80 0.00 -1.16 0.00 0.00 179.01 176.92 3bxx h ALA 74 N 1.79 0.59 0.00 3.43 0.00 -1.82 -3.37 119.26 119.88 3bxx h ALA 74 Ca 0.10 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 3bxx h ALA 74 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3bxx h ALA 74 CO -0.00 0.87 -1.72 -0.89 0.00 0.00 0.00 179.25 177.51 3bxx n ILE 75 N -3.21 0.82 -1.53 0.00 5.41 -0.22 -4.76 119.36 115.87 3bxx n ILE 75 Ca -0.01 -0.65 -0.53 0.00 1.00 0.00 0.00 62.75 62.56 3bxx n ILE 75 Cb 0.82 -0.42 -0.06 0.00 -0.71 0.00 0.00 39.64 39.27 3bxx n ILE 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3bxx n LYS 76 N -2.65 0.62 0.00 0.38 4.81 0.55 -2.21 118.16 119.65 3bxx n LYS 76 Ca -0.11 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3bxx n LYS 76 Cb 0.79 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 1.95 2.94 3.76 3.14 0.00 -1.26 -5.01 105.19 110.71 3bxx n GLY 77 Ca 0.18 0.00 -0.39 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 2.07 1.12 -3.76 0.00 1.35 -1.42 -2.73 112.91 109.53 3bxx h THR 79 Ca -0.50 -1.28 -0.28 0.00 -0.55 0.00 0.00 66.41 63.80 3bxx h THR 79 Cb 1.26 1.88 -0.17 0.00 -1.73 0.00 0.00 68.15 69.39 3bxx h THR 79 CO 0.61 0.29 -0.72 -0.83 -0.25 0.00 0.00 175.52 174.62 3bxx s GLY 80 N -3.36 0.79 -0.05 5.82 0.00 -1.26 -1.80 107.32 107.47 3bxx s GLY 80 Ca -0.14 -1.21 0.06 0.00 0.00 0.00 0.00 44.72 43.43 3bxx s GLY 80 CO 0.56 -1.29 -0.25 0.14 0.00 0.00 0.00 173.10 172.26 3bxx s VAL 81 N -2.76 2.02 -0.34 1.40 1.01 -1.15 -1.94 120.40 118.65 3bxx s VAL 81 Ca 0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3bxx s VAL 81 Cb -0.01 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.74 3bxx s VAL 81 CO -0.01 0.56 0.08 -0.36 0.00 0.00 0.00 175.10 175.37 3bxx s PHE 82 N -0.24 3.42 -0.52 5.22 0.08 -1.00 -2.77 117.98 122.17 3bxx s PHE 82 Ca -0.01 -2.13 -0.23 0.00 0.12 0.00 0.00 56.93 54.68 3bxx s PHE 82 Cb -0.13 -2.58 0.04 0.00 -0.57 0.00 0.00 43.02 39.78 3bxx s PHE 82 CO 0.03 -0.87 0.85 -1.58 -0.10 0.00 0.00 175.22 173.55 3bxx s HIS 83 N 1.19 2.88 -0.09 0.36 5.65 -0.99 -0.34 115.29 123.96 3bxx s HIS 83 Ca 0.01 -0.08 0.13 0.00 0.25 0.00 0.00 55.06 55.36 3bxx s HIS 83 Cb -0.21 -3.90 -0.18 0.00 -1.18 0.00 0.00 32.58 27.11 3bxx s HIS 83 CO -0.03 -1.23 0.14 0.28 -0.65 0.00 0.00 174.74 173.26 3bxx n VAL 84 N 6.08 0.58 -1.70 0.89 0.31 -0.93 0.36 118.33 123.91 3bxx n VAL 84 Ca 0.00 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.45 3bxx n VAL 84 Cb 0.47 -0.35 0.01 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.31 1.34 -3.38 3.52 0.00 0.13 -4.86 120.51 114.96 3bxx n ALA 85 Ca -0.15 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 3bxx n ALA 85 Cb 0.73 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.18 0.01 0.43 0.00 -1.32 -1.26 -4.98 115.64 107.33 3bxx s THR 86 Ca 0.60 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.79 3bxx s THR 86 Cb -0.51 -0.70 -0.08 0.00 -1.51 0.00 0.00 72.50 69.70 3bxx s THR 86 CO 0.59 -0.03 1.09 -2.16 -2.21 0.00 0.00 174.62 171.90 3bxx s PRO 87 N -0.02 3.99 0.00 7.08 0.04 -1.26 -5.05 135.00 139.77 3bxx s PRO 87 Ca -0.02 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3bxx s PRO 87 Cb -0.03 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3bxx s PRO 87 CO 0.02 -0.31 0.00 -1.33 0.04 0.00 0.00 177.00 175.41 3bxx n MET 88 N -0.31 2.26 -2.36 4.56 0.00 -1.26 -4.99 117.12 115.01 3bxx n MET 88 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.61 3bxx n MET 88 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.74 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 -0.23 3.63 0.02 7.83 2.03 -1.26 -4.60 116.55 123.97 3bxx n ASP 89 Ca 0.00 -3.13 -0.11 0.00 0.52 0.00 0.00 54.79 52.07 3bxx n ASP 89 Cb 0.00 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.92 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 2.40 -1.10 -0.09 -0.67 3.04 -1.96 -3.09 116.94 115.48 3bxx h PHE 90 Ca 0.17 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 3bxx h PHE 90 Cb 1.38 0.49 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 3bxx h PHE 90 CO 0.71 -0.39 -0.27 0.93 -2.02 0.00 0.00 178.31 177.28 3bxx h GLU 91 N -0.43 0.16 0.00 1.11 5.08 -1.98 -3.47 114.58 115.05 3bxx h GLU 91 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bxx h GLU 91 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3bxx h GLU 91 CO -0.27 0.42 0.00 0.43 -1.00 0.00 0.00 179.01 178.59 3bxx n SER 92 N -4.17 -2.59 0.19 1.42 7.64 -1.17 -4.80 113.62 110.14 3bxx n SER 92 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.97 3bxx n SER 92 Cb 0.36 -2.08 0.12 0.00 -1.01 0.00 0.00 64.21 61.60 3bxx n SER 92 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3bxx h LYS 93 N 0.66 0.00 -0.88 1.43 1.57 -1.91 -3.45 116.57 113.99 3bxx h LYS 93 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3bxx h LYS 93 Cb 0.34 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.46 3bxx h LYS 93 CO 0.00 0.05 -0.36 0.34 -0.57 0.00 0.00 179.45 178.91 3bxx s ASP 94 N -6.09 -1.41 0.23 0.86 -1.08 -1.26 -5.04 116.67 102.89 3bxx s ASP 94 Ca 0.05 -0.25 0.12 0.00 -0.52 0.00 0.00 52.55 51.96 3bxx s ASP 94 Cb 0.06 1.83 0.08 0.00 -1.46 0.00 0.00 42.92 43.43 3bxx s ASP 94 CO 0.70 -0.21 1.44 1.55 0.52 0.00 0.00 175.17 179.17 3bxx h PRO 95 N 7.34 0.00 -0.47 4.34 0.13 -1.95 -0.56 132.00 140.83 3bxx h PRO 95 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3bxx h PRO 95 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3bxx h PRO 95 CO 0.09 0.68 0.27 1.05 -0.23 0.00 0.00 178.00 179.86 3bxx h GLU 96 N 0.00 0.65 0.20 0.86 9.09 -1.96 0.31 114.58 123.73 3bxx h GLU 96 Ca -0.01 -0.07 -0.33 0.00 0.05 0.00 0.00 59.36 59.00 3bxx h GLU 96 Cb 1.43 -0.13 0.02 0.00 -1.65 0.00 0.00 28.75 28.42 3bxx h GLU 96 CO 0.09 0.49 -1.57 -0.91 0.05 0.00 0.00 179.01 177.16 3bxx h ASN 97 N 0.62 0.65 0.68 3.06 2.35 -1.97 -2.49 115.58 118.48 3bxx h ASN 97 Ca 0.17 -0.82 -0.22 0.00 -0.55 0.00 0.00 56.30 54.88 3bxx h ASN 97 Cb 0.03 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3bxx h ASN 97 CO -0.03 1.66 -1.46 -0.08 -1.65 0.00 0.00 177.43 175.88 3bxx h GLU 98 N 0.11 0.00 0.00 0.81 4.81 -1.18 -3.39 114.58 115.75 3bxx h GLU 98 Ca -0.28 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.77 3bxx h GLU 98 Cb 2.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.46 3bxx h GLU 98 CO 0.22 0.44 -1.60 0.28 -0.73 0.00 0.00 179.01 177.61 3bxx n VAL 99 N -3.01 1.48 0.05 0.32 0.31 0.98 -4.82 118.33 113.64 3bxx n VAL 99 Ca -0.11 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 3bxx n VAL 99 Cb 0.93 -2.13 -0.01 0.00 -0.91 0.00 0.00 33.84 31.72 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 -0.95 0.00 -0.66 2.52 2.04 -1.22 -2.57 117.51 116.67 3bxx h ILE 100 Ca -0.28 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.43 3bxx h ILE 100 Cb 1.22 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 3bxx h ILE 100 CO -0.17 0.00 -0.47 0.50 0.00 0.00 0.00 178.15 178.01 3bxx h LYS 101 N -0.39 -0.18 -0.58 2.37 3.64 -1.69 0.54 116.57 120.28 3bxx h LYS 101 Ca -0.02 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3bxx h LYS 101 Cb 0.12 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 3bxx h LYS 101 CO 0.03 -0.12 -0.46 -1.35 -2.27 0.00 0.00 179.45 175.27 3bxx h PRO 102 N -0.19 -0.23 -0.98 1.90 0.11 -1.75 -0.63 132.00 130.23 3bxx h PRO 102 Ca 0.18 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.42 3bxx h PRO 102 Cb 0.55 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.63 3bxx h PRO 102 CO -0.75 -0.15 0.62 1.15 -0.21 0.00 0.00 178.00 178.66 3bxx h THR 103 N -0.24 0.94 -0.07 -1.15 2.02 0.46 0.36 112.91 115.23 3bxx h THR 103 Ca 0.16 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 3bxx h THR 103 Cb 0.56 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3bxx h THR 103 CO -0.69 0.18 -0.23 0.40 0.37 0.00 0.00 175.52 175.55 3bxx h ILE 104 N 0.97 1.43 -0.01 3.11 2.04 -0.70 -3.11 117.51 121.23 3bxx h ILE 104 Ca 0.47 -1.63 -0.25 0.00 1.00 0.00 0.00 64.86 64.45 3bxx h ILE 104 Cb 0.46 2.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3bxx h ILE 104 CO -0.23 0.46 -0.99 -0.33 0.00 0.00 0.00 178.15 177.06 3bxx h GLU 105 N -0.23 0.63 0.85 2.37 5.08 -0.55 -2.90 114.58 119.81 3bxx h GLU 105 Ca -0.01 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 57.65 3bxx h GLU 105 Cb 0.87 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.30 3bxx h GLU 105 CO 0.05 1.25 -0.41 0.78 -1.00 0.00 0.00 179.01 179.69 3bxx h GLY 106 N 0.67 -1.19 -0.46 -3.84 0.00 -0.44 0.36 103.07 98.17 3bxx h GLY 106 Ca -0.11 0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.70 3bxx h GLY 106 CO 0.19 -0.43 -0.27 -0.13 0.00 0.00 0.00 176.54 175.90 3bxx n MET 107 N -5.56 -0.20 -0.31 4.80 0.00 -1.17 0.82 117.12 115.49 3bxx n MET 107 Ca -0.15 1.10 0.03 0.00 -0.00 0.00 0.00 57.70 58.69 3bxx n MET 107 Cb 0.45 -1.63 0.18 0.00 0.00 0.00 0.00 33.22 32.22 3bxx n MET 107 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3bxx h LEU 108 N 0.00 0.76 -0.07 -0.89 3.38 -1.47 0.44 115.31 117.46 3bxx h LEU 108 Ca 0.07 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3bxx h LEU 108 Cb 0.19 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3bxx h LEU 108 CO -0.43 0.43 -0.38 1.23 0.09 0.00 0.00 178.44 179.38 3bxx h GLY 109 N 0.87 -0.63 1.57 0.83 0.00 0.13 1.01 103.07 106.84 3bxx h GLY 109 Ca 0.42 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.21 3bxx h GLY 109 CO -0.24 -0.23 0.28 -2.22 0.00 0.00 0.00 176.54 174.12 3bxx h ILE 110 N -0.49 1.12 -0.42 2.60 2.04 0.12 -1.21 117.51 121.26 3bxx h ILE 110 Ca 0.07 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3bxx h ILE 110 Cb 0.61 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3bxx h ILE 110 CO -0.34 0.12 -0.06 0.24 0.00 0.00 0.00 178.15 178.11 3bxx h MET 111 N 0.60 0.79 0.00 2.37 2.86 0.13 -2.17 114.93 119.49 3bxx h MET 111 Ca 0.16 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3bxx h MET 111 Cb -0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3bxx h MET 111 CO -0.03 0.89 -0.25 0.87 1.06 0.00 0.00 176.91 179.45 3bxx h LYS 112 N 0.61 0.00 0.00 1.72 1.57 0.20 -1.94 116.57 118.73 3bxx h LYS 112 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3bxx h LYS 112 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3bxx h LYS 112 CO 0.03 0.25 -0.06 0.77 -0.57 0.00 0.00 179.45 179.87 3bxx h SER 113 N 0.00 0.00 0.21 0.86 0.02 -1.22 -3.17 113.55 110.25 3bxx h SER 113 Ca -0.00 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 3bxx h SER 113 Cb 0.50 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.07 3bxx h SER 113 CO 0.03 0.00 -1.22 0.00 -1.14 0.00 0.00 176.83 174.50 3bxx h ALA 115 N 0.12 -0.72 -0.53 0.00 0.00 -1.54 -3.06 119.26 113.53 3bxx h ALA 115 Ca -0.21 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3bxx h ALA 115 Cb 1.96 0.95 -0.10 0.00 0.00 0.00 0.00 17.79 20.59 3bxx h ALA 115 CO 0.22 -0.88 -0.11 0.00 0.00 0.00 0.00 179.25 178.48 3bxx h ALA 116 N -0.52 0.38 0.00 0.00 0.00 -1.60 -3.16 119.26 114.36 3bxx h ALA 116 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bxx h ALA 116 Cb 0.47 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3bxx h ALA 116 CO -0.37 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 178.85 3bxx h ALA 117 N 1.52 1.35 -0.30 0.00 0.00 -1.25 -3.45 119.26 117.13 3bxx h ALA 117 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3bxx h ALA 117 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3bxx h ALA 117 CO -0.53 -0.35 -0.12 1.63 0.00 0.00 0.00 179.25 179.89 3bxx n LYS 118 N -2.49 -1.25 0.00 0.00 4.01 -1.20 -4.49 118.16 112.74 3bxx n LYS 118 Ca -0.01 0.63 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 3bxx n LYS 118 Cb 0.43 -4.72 0.00 0.00 -0.51 0.00 0.00 35.03 30.23 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 -2.41 0.00 -1.81 -0.18 -1.04 -1.26 -5.03 114.28 102.54 3bxx n THR 119 Ca -0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3bxx n THR 119 Cb 0.41 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.46 3.25 0.15 12.58 1.01 -1.03 -4.13 120.40 131.76 3bxx s VAL 120 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3bxx s VAL 120 Cb 0.00 -3.35 -0.17 0.00 0.00 0.00 0.00 36.38 32.86 3bxx s VAL 120 CO 0.00 -0.24 1.34 0.08 0.00 0.00 0.00 175.10 176.28 3bxx h ARG 121 N 14.24 0.25 -2.29 2.72 0.11 -1.63 -3.48 114.38 124.30 3bxx h ARG 121 Ca -0.36 -0.29 -0.08 0.00 0.10 0.00 0.00 59.98 59.36 3bxx h ARG 121 Cb 1.20 0.09 -0.19 0.00 1.11 0.00 0.00 29.97 32.17 3bxx h ARG 121 CO 1.01 1.01 0.06 0.50 0.10 0.00 0.00 179.97 182.66 3bxx s ARG 122 N -3.16 0.94 -0.21 0.08 3.52 -1.26 -4.30 118.95 114.55 3bxx s ARG 122 Ca -0.04 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.74 3bxx s ARG 122 Cb 0.10 0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.97 3bxx s ARG 122 CO 0.84 -0.28 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.81 3bxx s LEU 123 N -1.16 2.39 -0.54 -0.88 0.20 -0.36 -2.91 118.68 115.42 3bxx s LEU 123 Ca -0.11 -1.02 -0.25 0.00 0.69 0.00 0.00 54.13 53.44 3bxx s LEU 123 Cb -0.02 -1.19 0.04 0.00 -0.43 0.00 0.00 46.19 44.59 3bxx s LEU 123 CO 0.08 -0.19 0.98 -0.69 -0.29 0.00 0.00 176.35 176.24 3bxx s VAL 124 N 1.41 4.35 0.15 1.68 1.01 -1.11 -0.32 120.40 127.56 3bxx s VAL 124 Ca -0.03 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 3bxx s VAL 124 Cb -0.17 -4.55 -0.07 0.00 0.00 0.00 0.00 36.38 31.59 3bxx s VAL 124 CO -0.07 -1.09 1.04 0.12 0.00 0.00 0.00 175.10 175.10 3bxx s PHE 125 N 4.06 3.69 -0.34 5.22 5.36 0.11 -2.34 117.98 133.75 3bxx s PHE 125 Ca 0.34 1.68 -0.23 0.00 -0.96 0.00 0.00 56.93 57.76 3bxx s PHE 125 Cb -0.11 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 3bxx s PHE 125 CO 0.22 -0.26 0.79 0.99 -1.46 0.00 0.00 175.22 175.49 3bxx s THR 126 N -0.13 4.76 0.00 0.12 2.01 0.16 -1.18 115.64 121.37 3bxx s THR 126 Ca 0.48 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3bxx s THR 126 Cb -0.27 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.06 3bxx s THR 126 CO 0.32 -0.35 0.00 -0.24 -0.69 0.00 0.00 174.62 173.67 3bxx n SER 127 N 6.32 0.54 -3.77 3.53 2.88 0.60 -4.82 113.62 118.90 3bxx n SER 127 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.45 3bxx n SER 127 Cb 0.48 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 3bxx n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3bxx s SER 128 N -0.18 -0.29 0.53 -3.46 0.15 -1.26 -4.19 113.70 105.00 3bxx s SER 128 Ca 0.00 0.52 0.23 0.00 0.70 0.00 0.00 55.95 57.40 3bxx s SER 128 Cb 0.00 0.57 1.38 0.00 -1.71 0.00 0.00 66.02 66.26 3bxx s SER 128 CO 0.00 -0.16 2.03 0.00 1.20 0.00 0.00 173.24 176.31 3bxx h ALA 129 N 5.37 2.36 0.00 5.45 0.00 -1.68 -1.57 119.26 129.18 3bxx h ALA 129 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3bxx h ALA 129 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bxx h ALA 129 CO 0.33 -0.49 0.02 0.41 0.00 0.00 0.00 179.25 179.52 3bxx n GLY 130 N -1.61 -0.79 0.05 0.00 0.00 -1.26 -1.35 105.19 100.23 3bxx n GLY 130 Ca 0.07 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.12 0.00 -0.06 2.61 -2.24 -0.59 -4.39 114.28 107.49 3bxx n THR 131 Ca -0.01 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3bxx n THR 131 Cb 0.05 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.27 0.71 -1.45 2.28 0.31 -0.46 0.92 118.33 119.38 3bxx n VAL 132 Ca 0.10 -0.24 0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3bxx n VAL 132 Cb 0.31 -1.23 0.14 0.00 -0.91 0.00 0.00 33.84 32.15 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 -3.15 1.79 -4.37 4.52 6.94 -1.17 -3.14 115.26 116.69 3bxx n ASN 133 Ca -0.23 -3.18 -0.46 0.00 -0.02 0.00 0.00 54.58 50.68 3bxx n ASN 133 Cb 0.71 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 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 -2.50 5.38 0.16 1.53 -1.09 -1.26 -4.93 121.20 118.49 3bxx s ILE 134 Ca 0.31 -2.28 0.01 0.00 -2.23 0.00 0.00 60.65 56.46 3bxx s ILE 134 Cb 0.29 -4.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3bxx s ILE 134 CO -0.02 -1.18 0.01 0.00 -1.23 0.00 0.00 174.94 172.52 3bxx s GLN 135 N 0.80 1.07 0.31 2.79 0.00 -1.26 -1.72 119.66 121.65 3bxx s GLN 135 Ca 0.23 -1.51 0.02 0.00 -0.00 0.00 0.00 55.36 54.09 3bxx s GLN 135 Cb -0.08 -0.17 0.56 0.00 0.00 0.00 0.00 33.01 33.31 3bxx s GLN 135 CO -0.09 -0.15 1.90 1.49 0.00 0.00 0.00 175.29 178.44 3bxx h GLU 136 N 2.73 0.96 -4.66 9.60 4.81 -1.98 -3.39 114.58 122.65 3bxx h GLU 136 Ca -0.36 -0.06 -0.57 0.00 -0.13 0.00 0.00 59.36 58.23 3bxx h GLU 136 Cb 1.20 -0.22 -0.35 0.00 0.63 0.00 0.00 28.75 30.02 3bxx h GLU 136 CO 0.62 0.64 -0.83 -1.01 -0.73 0.00 0.00 179.01 177.70 3bxx s HIS 137 N -5.88 1.89 0.26 0.92 3.76 -1.26 -5.12 115.29 109.86 3bxx s HIS 137 Ca -0.11 -0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.60 3bxx s HIS 137 Cb 0.20 -1.39 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 3bxx s HIS 137 CO 0.80 -0.49 0.98 -0.65 -0.85 0.00 0.00 174.74 174.53 3bxx s GLN 138 N 1.10 4.77 0.94 1.40 -1.52 -1.26 -5.06 119.66 120.03 3bxx s GLN 138 Ca -0.05 1.56 -0.11 0.00 -1.95 0.00 0.00 55.36 54.81 3bxx s GLN 138 Cb -0.14 -3.20 0.16 0.00 -0.22 0.00 0.00 33.01 29.60 3bxx s GLN 138 CO -0.03 0.41 1.09 -0.51 -0.25 0.00 0.00 175.29 176.00 3bxx s LEU 139 N -1.35 2.18 0.40 2.90 1.43 -1.26 -4.99 118.68 117.99 3bxx s LEU 139 Ca 0.43 1.70 0.21 0.00 -1.03 0.00 0.00 54.13 55.44 3bxx s LEU 139 Cb -0.27 -4.03 0.36 0.00 0.03 0.00 0.00 46.19 42.28 3bxx s LEU 139 CO 0.33 -3.02 1.60 1.55 0.23 0.00 0.00 176.35 177.04 3bxx h PRO 140 N -1.81 0.00 -2.69 1.29 0.13 -1.94 -3.45 132.00 123.53 3bxx h PRO 140 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 3bxx h PRO 140 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 3bxx h PRO 140 CO 0.50 0.17 -0.30 0.08 -0.23 0.00 0.00 178.00 178.22 3bxx s VAL 141 N -3.19 -0.02 -0.24 1.56 1.01 -1.26 -2.50 120.40 115.76 3bxx s VAL 141 Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3bxx s VAL 141 Cb 0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3bxx s VAL 141 CO 0.68 0.03 0.13 -0.31 0.00 0.00 0.00 175.10 175.64 3bxx s TYR 142 N 1.14 3.24 0.38 5.22 1.51 0.35 -4.96 117.35 124.23 3bxx s TYR 142 Ca -0.08 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 3bxx s TYR 142 Cb -0.07 -2.26 0.07 0.00 -0.11 0.00 0.00 41.96 39.59 3bxx s TYR 142 CO -0.10 -0.05 0.52 -0.40 -1.11 0.00 0.00 175.55 174.41 3bxx n ASP 143 N 4.46 0.79 -0.12 2.29 5.75 -1.26 -0.43 116.55 128.04 3bxx n ASP 143 Ca -0.15 -1.65 0.12 0.00 -0.01 0.00 0.00 54.79 53.10 3bxx n ASP 143 Cb 0.52 -0.33 0.65 0.00 -1.03 0.00 0.00 41.12 40.93 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 -1.94 1.16 0.08 0.11 4.71 -1.26 -3.54 120.64 119.97 3bxx n GLU 144 Ca 0.09 -0.24 0.12 0.00 -0.01 0.00 0.00 57.16 57.12 3bxx n GLU 144 Cb 0.32 -1.39 0.15 0.00 -1.01 0.00 0.00 31.44 29.51 3bxx n GLU 144 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3bxx h SER 145 N 0.52 0.00 -4.27 1.62 4.64 -1.98 -3.46 113.55 110.62 3bxx h SER 145 Ca 0.00 -0.14 -0.50 0.00 -0.47 0.00 0.00 61.79 60.68 3bxx h SER 145 Cb 0.11 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3bxx h SER 145 CO 0.00 0.07 0.38 0.00 -0.87 0.00 0.00 176.83 176.41 3bxx s TRP 147 N -2.82 -0.04 0.96 0.00 0.52 -1.25 -4.73 118.94 111.58 3bxx s TRP 147 Ca 0.59 0.10 -0.13 0.00 0.02 0.00 0.00 56.10 56.69 3bxx s TRP 147 Cb -0.13 -0.00 0.07 0.00 -1.15 0.00 0.00 33.47 32.26 3bxx s TRP 147 CO 0.45 -0.03 0.55 0.43 0.02 0.00 0.00 176.95 178.38 3bxx n SER 148 N 3.16 -1.59 -4.25 2.95 7.64 0.26 -4.80 113.62 116.99 3bxx n SER 148 Ca -0.13 0.30 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 3bxx n SER 148 Cb 0.59 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.15 6.00 0.49 6.43 -1.08 -0.70 -4.92 116.67 120.75 3bxx s ASP 149 Ca 0.59 -2.11 0.24 0.00 -0.52 0.00 0.00 52.55 50.75 3bxx s ASP 149 Cb -0.21 -2.09 1.28 0.00 -1.46 0.00 0.00 42.92 40.44 3bxx s ASP 149 CO 0.65 -0.69 2.02 0.24 0.52 0.00 0.00 175.17 177.92 3bxx h MET 150 N 8.32 0.00 -0.04 4.34 2.86 -1.91 -0.00 114.93 128.50 3bxx h MET 150 Ca -0.16 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.25 3bxx h MET 150 Cb 1.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.74 3bxx h MET 150 CO 0.88 0.16 -0.85 0.93 1.06 0.00 0.00 176.91 179.09 3bxx h GLU 151 N 0.00 0.65 -0.40 1.72 5.08 -1.97 -3.07 114.58 116.59 3bxx h GLU 151 Ca -0.00 -0.65 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 3bxx h GLU 151 Cb 0.38 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3bxx h GLU 151 CO 0.02 1.25 0.16 0.35 -1.00 0.00 0.00 179.01 179.78 3bxx h PHE 152 N 0.31 0.61 0.00 4.33 3.57 -1.92 -2.84 116.94 120.99 3bxx h PHE 152 Ca -0.09 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3bxx h PHE 152 Cb 1.51 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3bxx h PHE 152 CO 0.11 0.54 0.00 0.00 -2.23 0.00 0.00 178.31 176.73 3bxx n ARG 154 N -2.55 0.93 0.04 0.00 1.74 -1.16 -2.77 116.66 112.90 3bxx n ARG 154 Ca 0.00 -0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 3bxx n ARG 154 Cb 0.19 -1.30 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3bxx n ARG 154 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bxx h ALA 155 N 0.97 -0.14 0.11 7.54 0.00 -1.48 -3.40 119.26 122.84 3bxx h ALA 155 Ca -0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3bxx h ALA 155 Cb 0.95 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3bxx h ALA 155 CO 0.01 -0.35 -1.01 0.87 0.00 0.00 0.00 179.25 178.76 3bxx h LYS 156 N -0.60 0.22 -5.85 0.00 1.79 -1.66 -3.49 116.57 106.98 3bxx h LYS 156 Ca -0.01 -0.38 -0.34 0.00 -2.18 0.00 0.00 60.65 57.73 3bxx h LYS 156 Cb 0.48 0.14 0.14 0.00 -1.58 0.00 0.00 32.23 31.41 3bxx h LYS 156 CO 0.02 1.18 -0.90 1.63 -1.08 0.00 0.00 179.45 180.30 3bxx n LYS 157 N -4.11 -1.73 -1.39 3.15 4.76 -1.12 -5.00 118.16 112.73 3bxx n LYS 157 Ca -0.19 0.66 -0.30 0.00 -2.87 0.00 0.00 58.31 55.60 3bxx n LYS 157 Cb 0.81 -4.95 0.10 0.00 -1.84 0.00 0.00 35.03 29.15 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 -5.22 1.94 0.24 1.97 0.23 -1.26 -4.89 119.30 112.31 3bxx s MET 158 Ca 0.47 0.83 -0.31 0.00 -1.03 0.00 0.00 55.69 55.65 3bxx s MET 158 Cb -0.12 -1.89 -0.14 0.00 -1.53 0.00 0.00 34.83 31.16 3bxx s MET 158 CO 0.80 -1.77 1.30 2.41 -2.03 0.00 0.00 175.02 175.73 3bxx n THR 159 N -3.56 1.14 -1.81 3.16 -1.04 -1.26 0.66 114.28 111.57 3bxx n THR 159 Ca 0.07 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 3bxx n THR 159 Cb 0.55 -1.29 -0.07 0.00 -1.82 0.00 0.00 70.33 67.70 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 1.49 -0.40 -0.11 2.41 0.00 -1.26 -4.94 120.51 117.71 3bxx n ALA 160 Ca 0.11 0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 3bxx n ALA 160 Cb 0.30 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.20 0.00 0.00 5.08 -0.12 -2.40 115.95 118.31 3bxx h TRP 161 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.56 3bxx h TRP 161 Cb 1.35 0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.65 3bxx h TRP 161 CO 0.58 -0.16 0.11 0.00 -1.28 0.00 0.00 178.44 177.69 3bxx h MET 162 N -0.00 0.00 -0.00 0.12 -0.00 -1.92 -0.17 114.93 112.96 3bxx h MET 162 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 3bxx h MET 162 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 3bxx h MET 162 CO -0.38 0.00 -0.34 0.66 -0.00 0.00 0.00 176.91 176.86 3bxx n TYR 163 N -2.87 0.00 -0.01 -0.10 4.01 -0.91 -2.43 117.16 114.85 3bxx n TYR 163 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 3bxx n TYR 163 Cb 0.17 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3bxx n TYR 163 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3bxx n PHE 164 N -1.14 0.07 -0.15 -0.72 3.72 -0.15 -4.30 117.46 114.78 3bxx n PHE 164 Ca 0.09 0.03 -0.04 0.00 -0.05 0.00 0.00 57.45 57.48 3bxx n PHE 164 Cb 0.33 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3bxx n PHE 164 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3bxx n VAL 165 N -2.66 -0.25 -0.32 -4.37 0.31 -0.75 -1.09 118.33 109.20 3bxx n VAL 165 Ca -0.01 1.66 0.08 0.00 -0.01 0.00 0.00 64.34 66.05 3bxx n VAL 165 Cb 0.05 -2.12 0.18 0.00 -0.91 0.00 0.00 33.84 31.04 3bxx n VAL 165 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3bxx h SER 166 N 0.00 -0.63 0.28 4.52 4.64 -1.75 0.26 113.55 120.88 3bxx h SER 166 Ca 0.06 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3bxx h SER 166 Cb 0.15 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3bxx h SER 166 CO -0.34 -0.29 -0.44 0.29 -0.87 0.00 0.00 176.83 175.17 3bxx n LYS 167 N -5.50 0.49 -0.04 4.77 4.76 -0.89 -0.28 118.16 121.47 3bxx n LYS 167 Ca 0.17 -0.32 -0.06 0.00 -2.87 0.00 0.00 58.31 55.22 3bxx n LYS 167 Cb 0.56 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 3bxx n LYS 167 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3bxx h THR 168 N 0.78 0.74 -0.93 -0.18 2.02 0.35 -3.27 112.91 112.42 3bxx h THR 168 Ca 0.00 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 65.73 3bxx h THR 168 Cb 0.53 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3bxx h THR 168 CO 0.00 0.24 0.60 -0.07 0.37 0.00 0.00 175.52 176.66 3bxx h LEU 169 N -0.99 0.99 -1.49 2.58 3.38 -0.53 -0.86 115.31 118.40 3bxx h LEU 169 Ca -0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3bxx h LEU 169 Cb 0.43 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3bxx h LEU 169 CO 0.01 0.67 0.44 0.00 0.09 0.00 0.00 178.44 179.65 3bxx h ALA 170 N 1.39 1.85 0.11 1.53 0.00 -0.83 -2.02 119.26 121.28 3bxx h ALA 170 Ca 0.37 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 3bxx h ALA 170 Cb 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3bxx h ALA 170 CO -0.13 0.02 -0.84 1.49 0.00 0.00 0.00 179.25 179.80 3bxx h GLU 171 N 0.59 0.24 -0.45 0.00 4.81 -1.26 -2.87 114.58 115.64 3bxx h GLU 171 Ca 0.30 -0.41 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3bxx h GLU 171 Cb 0.40 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 3bxx h GLU 171 CO -0.10 1.19 0.12 1.96 -0.73 0.00 0.00 179.01 181.46 3bxx h GLN 172 N -0.47 0.26 -0.10 1.92 4.20 -1.24 -0.43 115.11 119.27 3bxx h GLN 172 Ca -0.16 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3bxx h GLN 172 Cb 1.57 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 3bxx h GLN 172 CO 0.10 0.17 -0.15 0.00 -0.67 0.00 0.00 178.83 178.29 3bxx h ALA 173 N 1.32 1.58 0.00 3.87 0.00 -1.53 -2.49 119.26 122.01 3bxx h ALA 173 Ca 0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3bxx h ALA 173 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3bxx h ALA 173 CO -0.25 0.31 -0.50 0.00 0.00 0.00 0.00 179.25 178.80 3bxx h ALA 174 N 1.71 1.16 0.00 0.00 0.00 -0.87 -2.75 119.26 118.51 3bxx h ALA 174 Ca 0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3bxx h ALA 174 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3bxx h ALA 174 CO 0.02 0.63 -1.34 0.91 0.00 0.00 0.00 179.25 179.47 3bxx n TRP 175 N -3.92 0.98 -0.34 0.00 7.02 -0.71 -2.59 117.44 117.88 3bxx n TRP 175 Ca -0.01 0.32 0.08 0.00 -1.02 0.00 0.00 57.50 56.87 3bxx n TRP 175 Cb 0.52 -1.07 0.27 0.00 -2.42 0.00 0.00 31.31 28.61 3bxx n TRP 175 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3bxx h LYS 176 N 0.00 0.91 0.34 -0.99 1.63 -1.30 -2.07 116.57 115.09 3bxx h LYS 176 Ca -0.13 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3bxx h LYS 176 Cb 1.48 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 3bxx h LYS 176 CO 0.04 0.60 -0.16 -0.92 -3.45 0.00 0.00 179.45 175.56 3bxx h TYR 177 N 0.94 -0.42 -1.03 1.91 5.03 -1.59 -2.48 116.97 119.33 3bxx h TYR 177 Ca 0.49 -0.01 0.26 0.00 2.58 0.00 0.00 58.73 62.05 3bxx h TYR 177 Cb 0.54 0.14 -0.10 0.00 1.55 0.00 0.00 36.73 38.86 3bxx h TYR 177 CO -0.00 -0.15 0.66 0.00 -1.32 0.00 0.00 178.16 177.35 3bxx h ALA 178 N -0.86 2.18 0.25 1.82 0.00 -1.34 0.19 119.26 121.51 3bxx h ALA 178 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bxx h ALA 178 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bxx h ALA 178 CO 0.08 -0.59 -0.12 0.87 0.00 0.00 0.00 179.25 179.48 3bxx h LYS 179 N 0.42 -0.33 0.00 0.00 1.79 -1.53 -2.54 116.57 114.38 3bxx h LYS 179 Ca 0.60 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 3bxx h LYS 179 Cb 1.47 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 3bxx h LYS 179 CO -0.31 -0.22 0.00 0.39 -1.08 0.00 0.00 179.45 178.23 3bxx n GLU 180 N -3.34 0.11 -0.35 3.15 1.02 0.32 -2.77 120.64 118.77 3bxx n GLU 180 Ca -0.04 0.60 0.01 0.00 -0.02 0.00 0.00 57.16 57.70 3bxx n GLU 180 Cb 0.13 -1.85 0.01 0.00 -0.02 0.00 0.00 31.44 29.72 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 -2.07 0.23 -1.22 1.62 5.03 0.40 -5.04 115.26 114.20 3bxx n ASN 181 Ca -0.01 -1.87 -0.16 0.00 0.87 0.00 0.00 54.58 53.41 3bxx n ASN 181 Cb 0.03 -0.17 -0.07 0.00 -1.02 0.00 0.00 39.78 38.55 3bxx n ASN 181 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3bxx n ASN 182 N -0.12 -4.99 -4.71 6.41 3.02 -1.03 -4.94 115.26 108.90 3bxx n ASN 182 Ca 0.01 0.40 -0.41 0.00 -0.03 0.00 0.00 54.58 54.55 3bxx n ASN 182 Cb 0.64 -3.90 -0.04 0.00 -0.61 0.00 0.00 39.78 35.88 3bxx n ASN 182 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bxx s ILE 183 N -2.57 4.94 -0.82 2.41 1.01 -0.99 -4.97 121.20 120.20 3bxx s ILE 183 Ca 0.00 1.78 -0.25 0.00 0.00 0.00 0.00 60.65 62.18 3bxx s ILE 183 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3bxx s ILE 183 CO 0.00 0.18 1.48 -0.62 0.00 0.00 0.00 174.94 175.98 3bxx s ASP 184 N 0.94 6.04 -0.33 3.58 2.15 -1.26 -4.69 116.67 123.10 3bxx s ASP 184 Ca 0.45 -0.67 -0.10 0.00 0.43 0.00 0.00 52.55 52.66 3bxx s ASP 184 Cb -0.19 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 3bxx s ASP 184 CO 0.22 -1.90 0.16 0.12 -0.17 0.00 0.00 175.17 173.60 3bxx s PHE 185 N 6.41 3.19 0.25 -5.34 5.36 -1.26 -1.23 117.98 125.37 3bxx s PHE 185 Ca 0.46 -0.67 -0.05 0.00 -0.96 0.00 0.00 56.93 55.72 3bxx s PHE 185 Cb -0.06 -2.37 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 3bxx s PHE 185 CO 0.07 -0.50 0.51 0.42 -1.46 0.00 0.00 175.22 174.25 3bxx s ILE 186 N 1.60 5.05 0.01 3.12 -1.09 0.56 -4.28 121.20 126.17 3bxx s ILE 186 Ca 0.04 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3bxx s ILE 186 Cb -0.18 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 3bxx s ILE 186 CO 0.06 -0.23 -0.02 0.42 -1.23 0.00 0.00 174.94 173.94 3bxx s THR 187 N -1.97 0.15 -0.07 2.92 -4.23 -1.25 0.08 115.64 111.27 3bxx s THR 187 Ca 0.43 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 3bxx s THR 187 Cb -0.11 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.55 3bxx s THR 187 CO 0.28 -0.13 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.42 3bxx s ILE 188 N -0.49 1.55 -0.70 2.99 1.01 -0.33 -1.86 121.20 123.37 3bxx s ILE 188 Ca -0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 3bxx s ILE 188 Cb -0.04 -1.36 0.18 0.00 0.01 0.00 0.00 42.46 41.26 3bxx s ILE 188 CO -0.00 0.45 0.59 -0.63 0.00 0.00 0.00 174.94 175.34 3bxx s ILE 189 N 0.40 4.71 0.56 2.92 1.01 -0.09 -0.29 121.20 130.42 3bxx s ILE 189 Ca -0.14 -2.55 -0.13 0.00 0.00 0.00 0.00 60.65 57.83 3bxx s ILE 189 Cb -0.16 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 3bxx s ILE 189 CO 0.05 -0.94 0.99 -2.16 0.00 0.00 0.00 174.94 172.88 3bxx s PRO 190 N 0.25 3.75 0.00 2.79 0.05 -1.26 -2.22 135.00 138.36 3bxx s PRO 190 Ca 0.16 0.79 0.00 0.00 0.05 0.00 0.00 61.00 62.00 3bxx s PRO 190 Cb -0.17 -2.13 0.00 0.00 0.05 0.00 0.00 34.50 32.25 3bxx s PRO 190 CO -0.05 -0.40 0.00 0.25 0.05 0.00 0.00 177.00 176.84 3bxx n THR 191 N -2.18 0.00 -2.03 1.26 -2.24 -1.25 -1.96 114.28 105.88 3bxx n THR 191 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3bxx n THR 191 Cb 0.54 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 4.36 -0.35 3.22 2.96 -1.00 -4.67 118.68 123.21 3bxx s LEU 192 Ca 0.00 2.45 -0.14 0.00 -0.22 0.00 0.00 54.13 56.22 3bxx s LEU 192 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3bxx s LEU 192 CO 0.00 -0.79 0.28 -0.69 -1.32 0.00 0.00 176.35 173.83 3bxx s VAL 193 N 1.70 5.25 0.39 1.68 1.01 -1.26 -1.89 120.40 127.28 3bxx s VAL 193 Ca 0.69 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3bxx s VAL 193 Cb -0.39 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3bxx s VAL 193 CO 0.31 -0.08 0.14 -0.69 0.00 0.00 0.00 175.10 174.78 3bxx s VAL 194 N 1.79 0.57 0.00 2.92 1.01 -1.12 -4.53 120.40 121.05 3bxx s VAL 194 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.05 3bxx s VAL 194 Cb -0.17 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3bxx s VAL 194 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3bxx n GLY 195 N -0.86 0.71 3.87 4.51 0.00 -1.19 -1.02 105.19 111.21 3bxx n GLY 195 Ca -0.05 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.08 2.70 0.10 1.61 0.04 -1.26 -3.99 135.00 133.12 3bxx s PRO 196 Ca 0.00 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 3bxx s PRO 196 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3bxx s PRO 196 CO 0.00 -1.15 0.06 -0.59 0.04 0.00 0.00 177.00 175.36 3bxx s PHE 197 N -3.34 0.60 -0.06 0.56 -0.71 -1.26 -4.91 117.98 108.86 3bxx s PHE 197 Ca 0.59 -1.05 0.16 0.00 -1.04 0.00 0.00 56.93 55.58 3bxx s PHE 197 Cb -0.12 -0.36 -0.24 0.00 -1.21 0.00 0.00 43.02 41.10 3bxx s PHE 197 CO 0.52 -0.49 0.28 0.44 -1.34 0.00 0.00 175.22 174.63 3bxx n ILE 198 N -0.02 0.29 -0.40 -4.49 -5.35 -1.26 -5.02 119.36 103.10 3bxx n ILE 198 Ca -0.10 -0.45 -0.31 0.00 -0.27 0.00 0.00 62.75 61.62 3bxx n ILE 198 Cb 0.62 -0.07 0.29 0.00 -1.74 0.00 0.00 39.64 38.74 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 -2.93 -2.91 -0.12 6.28 0.23 -1.26 -4.91 119.30 113.68 3bxx s MET 199 Ca -0.06 0.12 -0.05 0.00 -1.03 0.00 0.00 55.69 54.67 3bxx s MET 199 Cb 0.09 -1.38 -0.02 0.00 -1.53 0.00 0.00 34.83 31.99 3bxx s MET 199 CO 0.67 -4.86 -0.09 0.66 -2.03 0.00 0.00 175.02 169.37 3bxx h SER 200 N -3.40 0.00 -0.96 -1.18 4.64 -1.93 -3.49 113.55 107.22 3bxx h SER 200 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.35 3bxx h SER 200 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3bxx h SER 200 CO 0.28 0.62 -0.31 -0.94 -0.87 0.00 0.00 176.83 175.61 3bxx s SER 201 N -5.56 4.83 -0.12 4.97 1.04 -1.26 -5.05 113.70 112.54 3bxx s SER 201 Ca -0.08 -1.01 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 3bxx s SER 201 Cb 0.01 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 3bxx s SER 201 CO 0.12 -0.96 1.48 -0.32 0.98 0.00 0.00 173.24 174.53 3bxx s MET 202 N -4.27 4.16 0.26 4.02 1.75 -1.26 -4.96 119.30 119.00 3bxx s MET 202 Ca 0.43 1.89 -0.29 0.00 -1.25 0.00 0.00 55.69 56.47 3bxx s MET 202 Cb -0.03 -3.89 -0.09 0.00 2.84 0.00 0.00 34.83 33.66 3bxx s MET 202 CO 0.26 -0.83 1.18 -1.25 -0.65 0.00 0.00 175.02 173.72 3bxx s PRO 203 N 3.87 4.53 0.18 4.11 0.05 -1.26 -4.92 135.00 141.56 3bxx s PRO 203 Ca 0.65 1.91 -0.07 0.00 0.05 0.00 0.00 61.00 63.54 3bxx s PRO 203 Cb -0.27 -3.18 0.27 0.00 0.05 0.00 0.00 34.50 31.37 3bxx s PRO 203 CO 0.23 0.03 1.07 -2.30 0.05 0.00 0.00 177.00 176.08 3bxx n PRO 204 N 1.58 -0.09 -0.04 0.56 -0.02 -1.26 -0.59 135.00 135.14 3bxx n PRO 204 Ca 0.01 1.07 -0.03 0.00 -2.02 0.00 0.00 63.50 62.53 3bxx n PRO 204 Cb 0.44 -1.60 0.22 0.00 -0.02 0.00 0.00 33.50 32.54 3bxx n PRO 204 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bxx h SER 205 N 0.00 0.60 0.36 2.55 4.64 -1.92 -2.54 113.55 117.23 3bxx h SER 205 Ca 0.31 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3bxx h SER 205 Cb 0.48 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3bxx h SER 205 CO -0.70 0.71 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 3bxx n LEU 206 N -4.21 0.00 -0.05 5.97 4.77 0.24 -0.20 117.00 123.51 3bxx n LEU 206 Ca 0.01 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 3bxx n LEU 206 Cb 0.31 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3bxx n LEU 206 CO 0.41 -0.16 0.42 0.40 -1.33 0.00 0.00 177.39 177.13 3bxx h ILE 207 N 0.00 1.29 0.19 -0.08 2.04 -1.40 -3.11 117.51 116.45 3bxx h ILE 207 Ca 0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 3bxx h ILE 207 Cb 0.18 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3bxx h ILE 207 CO 0.00 0.57 -0.09 0.74 0.00 0.00 0.00 178.15 179.37 3bxx h THR 208 N 0.58 0.00 -0.83 -0.27 2.02 -1.25 -3.10 112.91 110.07 3bxx h THR 208 Ca 0.00 -0.59 0.16 0.00 0.77 0.00 0.00 66.41 66.75 3bxx h THR 208 Cb 1.18 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.43 3bxx h THR 208 CO 0.12 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 175.80 3bxx h ALA 209 N -1.29 0.54 -0.12 6.16 0.00 -0.75 0.31 119.26 124.11 3bxx h ALA 209 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3bxx h ALA 209 Cb 0.20 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3bxx h ALA 209 CO 0.04 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.17 3bxx n LEU 210 N -5.53 1.19 0.21 0.00 4.77 -1.17 -4.47 117.00 111.98 3bxx n LEU 210 Ca 0.12 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.55 3bxx n LEU 210 Cb 0.42 -0.28 0.45 0.00 -2.33 0.00 0.00 43.42 41.68 3bxx n LEU 210 CO -0.04 0.24 0.82 0.77 -1.33 0.00 0.00 177.39 177.85 3bxx h SER 211 N 0.75 0.00 0.67 -1.43 4.64 -0.30 -1.67 113.55 116.21 3bxx h SER 211 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3bxx h SER 211 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3bxx h SER 211 CO 0.04 0.27 -0.09 -0.65 -0.87 0.00 0.00 176.83 175.53 3bxx h PRO 212 N 0.00 0.00 0.01 4.77 0.11 -1.80 0.71 132.00 135.79 3bxx h PRO 212 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3bxx h PRO 212 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3bxx h PRO 212 CO 0.03 0.09 -0.01 0.82 -0.21 0.00 0.00 178.00 178.73 3bxx h ILE 213 N 0.00 0.21 0.00 4.15 2.04 -1.78 -3.40 117.51 118.73 3bxx h ILE 213 Ca -0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3bxx h ILE 213 Cb 0.45 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3bxx h ILE 213 CO 0.01 0.07 0.00 0.71 0.00 0.00 0.00 178.15 178.94 3bxx h THR 214 N -1.00 0.00 0.00 -0.27 1.35 -1.30 -3.47 112.91 108.21 3bxx h THR 214 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3bxx h THR 214 Cb 0.13 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3bxx h THR 214 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3bxx n GLY 215 N 0.21 1.19 3.56 5.82 0.00 0.25 -4.98 105.19 111.24 3bxx n GLY 215 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.11 5.47 0.41 1.61 3.84 -1.22 -4.90 114.94 117.05 3bxx s ASN 216 Ca 0.00 0.50 0.29 0.00 0.21 0.00 0.00 52.86 53.86 3bxx s ASN 216 Cb 0.00 -2.53 1.15 0.00 -0.55 0.00 0.00 41.25 39.31 3bxx s ASN 216 CO 0.00 -2.19 1.85 -0.33 -2.79 0.00 0.00 177.10 173.64 3bxx h GLU 217 N 14.16 0.00 -0.93 0.43 5.08 -1.93 -3.20 114.58 128.19 3bxx h GLU 217 Ca -0.27 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.36 3bxx h GLU 217 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 3bxx h GLU 217 CO 1.18 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 179.52 3bxx h ALA 218 N 2.13 1.52 0.00 3.43 0.00 -2.00 -2.35 119.26 121.99 3bxx h ALA 218 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bxx h ALA 218 Cb 0.48 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3bxx h ALA 218 CO 0.00 -0.55 -0.14 0.72 0.00 0.00 0.00 179.25 179.28 3bxx n HIS 219 N -5.21 0.66 0.14 0.00 8.25 -1.21 -4.16 115.22 113.69 3bxx n HIS 219 Ca 0.26 0.19 0.06 0.00 -0.26 0.00 0.00 57.72 57.97 3bxx n HIS 219 Cb 0.82 -0.78 0.54 0.00 1.12 0.00 0.00 29.99 31.69 3bxx n HIS 219 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3bxx h TYR 220 N 0.00 0.25 -0.01 4.41 -1.99 -1.62 -3.04 116.97 114.97 3bxx h TYR 220 Ca 0.00 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.77 3bxx h TYR 220 Cb 0.69 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.28 3bxx h TYR 220 CO 0.00 0.16 -0.40 0.66 -0.00 0.00 0.00 178.16 178.57 3bxx h SER 221 N 0.26 -1.23 -0.91 3.88 4.64 -1.78 0.35 113.55 118.76 3bxx h SER 221 Ca 0.07 0.15 0.24 0.00 -0.47 0.00 0.00 61.79 61.78 3bxx h SER 221 Cb -0.03 0.48 -0.13 0.00 -0.31 0.00 0.00 62.40 62.41 3bxx h SER 221 CO -0.02 -0.45 0.40 0.40 -0.87 0.00 0.00 176.83 176.30 3bxx h ILE 222 N -0.56 0.42 -0.42 0.95 2.04 -1.85 -2.56 117.51 115.54 3bxx h ILE 222 Ca 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3bxx h ILE 222 Cb 0.64 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3bxx h ILE 222 CO -0.31 0.07 0.00 2.30 0.00 0.00 0.00 178.15 180.20 3bxx n ILE 223 N -5.07 0.58 0.09 -0.67 -5.35 -1.00 -4.02 119.36 103.92 3bxx n ILE 223 Ca 0.24 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.80 3bxx n ILE 223 Cb 0.71 0.91 -0.05 0.00 -1.74 0.00 0.00 39.64 39.46 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 4.24 -0.46 -2.45 6.28 2.43 0.14 -2.65 114.38 121.91 3bxx h ARG 224 Ca 0.00 0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.53 3bxx h ARG 224 Cb 0.96 0.10 -0.38 0.00 -0.42 0.00 0.00 29.97 30.24 3bxx h ARG 224 CO 0.00 -0.31 -0.15 1.04 -1.51 0.00 0.00 179.97 179.04 3bxx n GLN 225 N -5.40 3.13 -3.15 0.20 6.02 -1.26 0.73 117.38 117.64 3bxx n GLN 225 Ca -0.06 -4.64 -0.39 0.00 -0.01 0.00 0.00 57.00 51.91 3bxx n GLN 225 Cb 0.31 -2.34 -0.06 0.00 1.02 0.00 0.00 30.24 29.17 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 -2.22 2.72 -0.02 1.08 0.00 -0.97 -4.71 107.32 103.20 3bxx s GLY 226 Ca 0.37 0.14 0.05 0.00 0.00 0.00 0.00 44.72 45.28 3bxx s GLY 226 CO 0.02 0.71 -0.18 1.20 0.00 0.00 0.00 173.10 174.85 3bxx s GLN 227 N -0.72 1.54 0.20 2.90 1.11 -1.26 -0.65 119.66 122.78 3bxx s GLN 227 Ca 0.32 -0.64 0.03 0.00 0.01 0.00 0.00 55.36 55.07 3bxx s GLN 227 Cb -0.20 -1.46 -0.05 0.00 -1.01 0.00 0.00 33.01 30.29 3bxx s GLN 227 CO 0.21 0.36 -0.00 -0.06 0.01 0.00 0.00 175.29 175.81 3bxx s PHE 228 N -0.33 1.36 0.13 0.91 0.40 -0.93 -2.37 117.98 117.14 3bxx s PHE 228 Ca 0.05 -0.98 -0.05 0.00 -0.60 0.00 0.00 56.93 55.35 3bxx s PHE 228 Cb -0.08 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 3bxx s PHE 228 CO -0.00 -0.14 0.16 0.54 0.70 0.00 0.00 175.22 176.47 3bxx s VAL 229 N -3.56 0.10 -0.03 -0.44 0.11 -0.79 -0.68 120.40 115.12 3bxx s VAL 229 Ca 0.26 -1.59 -0.13 0.00 -2.93 0.00 0.00 61.98 57.58 3bxx s VAL 229 Cb 0.06 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 3bxx s VAL 229 CO 0.06 -0.48 0.36 -2.28 -3.33 0.00 0.00 175.10 169.43 3bxx s HIS 230 N -3.98 3.70 0.25 1.54 2.46 -1.26 -2.80 115.29 115.20 3bxx s HIS 230 Ca 0.17 0.90 -0.04 0.00 0.47 0.00 0.00 55.06 56.56 3bxx s HIS 230 Cb 0.05 -2.22 0.50 0.00 -0.13 0.00 0.00 32.58 30.78 3bxx s HIS 230 CO -0.02 0.66 1.66 1.25 -2.47 0.00 0.00 174.74 175.82 3bxx h LEU 231 N 4.79 -0.13 0.62 8.88 5.85 -1.42 0.50 115.31 134.40 3bxx h LEU 231 Ca -0.52 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3bxx h LEU 231 Cb 1.22 0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.52 3bxx h LEU 231 CO 0.61 -0.12 -0.30 -0.78 -0.34 0.00 0.00 178.44 177.51 3bxx h ASP 232 N 0.19 -0.71 -1.03 1.25 1.82 -1.91 0.14 116.42 116.18 3bxx h ASP 232 Ca 0.44 0.02 0.29 0.00 -0.39 0.00 0.00 57.03 57.39 3bxx h ASP 232 Cb 0.80 0.18 -0.13 0.00 0.68 0.00 0.00 39.33 40.86 3bxx h ASP 232 CO -0.60 -0.44 0.62 0.44 -1.61 0.00 0.00 179.24 177.65 3bxx h ASP 233 N -0.96 0.56 -0.17 2.28 3.32 -1.94 0.45 116.42 119.96 3bxx h ASP 233 Ca -0.09 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3bxx h ASP 233 Cb 0.64 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3bxx h ASP 233 CO 0.14 -0.00 0.09 0.25 -1.72 0.00 0.00 179.24 178.00 3bxx h LEU 234 N 0.43 0.14 -0.12 1.55 5.85 0.35 -2.66 115.31 120.85 3bxx h LEU 234 Ca 0.68 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.33 3bxx h LEU 234 Cb 1.52 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3bxx h LEU 234 CO -0.49 0.11 -0.20 0.00 -0.34 0.00 0.00 178.44 177.52 3bxx h ASN 236 N -0.07 0.17 0.03 0.00 -0.26 -0.93 0.31 115.58 114.83 3bxx h ASN 236 Ca 0.01 0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 3bxx h ASN 236 Cb 0.78 0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 3bxx h ASN 236 CO 0.05 -0.06 -0.07 0.00 -1.06 0.00 0.00 177.43 176.29 3bxx h ALA 237 N 1.72 1.76 -0.40 -0.83 0.00 -1.24 -0.45 119.26 119.81 3bxx h ALA 237 Ca 0.53 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 3bxx h ALA 237 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3bxx h ALA 237 CO -0.57 0.18 -0.27 0.45 0.00 0.00 0.00 179.25 179.05 3bxx h HIS 238 N 0.10 0.96 0.51 0.00 3.86 -0.21 -1.64 115.15 118.73 3bxx h HIS 238 Ca 0.02 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.97 3bxx h HIS 238 Cb 0.19 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 28.44 3bxx h HIS 238 CO 0.00 1.00 -0.25 0.82 0.86 0.00 0.00 177.93 180.37 3bxx h ILE 239 N 0.71 0.00 -0.95 2.45 2.04 -0.81 -2.95 117.51 118.01 3bxx h ILE 239 Ca 0.09 -0.17 0.28 0.00 1.00 0.00 0.00 64.86 66.06 3bxx h ILE 239 Cb 0.81 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.74 3bxx h ILE 239 CO 0.07 0.00 0.41 0.22 0.00 0.00 0.00 178.15 178.84 3bxx h TYR 240 N -0.85 0.65 -0.11 1.37 5.03 -1.02 -1.05 116.97 120.99 3bxx h TYR 240 Ca -0.07 0.04 -0.23 0.00 2.58 0.00 0.00 58.73 61.06 3bxx h TYR 240 Cb 0.53 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.69 3bxx h TYR 240 CO 0.06 -0.20 -0.83 -0.07 -1.32 0.00 0.00 178.16 175.80 3bxx h LEU 241 N 0.26 0.86 -0.86 2.82 3.38 -1.35 -0.36 115.31 120.07 3bxx h LEU 241 Ca 0.65 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3bxx h LEU 241 Cb 1.42 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3bxx h LEU 241 CO -0.64 1.39 0.42 0.15 0.09 0.00 0.00 178.44 179.85 3bxx h PHE 242 N 0.47 1.23 -0.00 1.13 3.57 -1.13 -3.35 116.94 118.86 3bxx h PHE 242 Ca -0.07 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.27 3bxx h PHE 242 Cb 1.46 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.82 3bxx h PHE 242 CO 0.08 0.89 -0.42 0.93 -2.23 0.00 0.00 178.31 177.56 3bxx h GLU 243 N 1.22 0.29 -6.06 1.11 5.08 -1.04 -3.45 114.58 111.74 3bxx h GLU 243 Ca 0.30 -0.31 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 3bxx h GLU 243 Cb 0.11 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3bxx h GLU 243 CO -0.04 1.01 1.41 1.21 -1.00 0.00 0.00 179.01 181.60 3bxx s ASN 244 N -6.52 5.49 0.35 1.42 3.84 -0.16 -4.93 114.94 114.43 3bxx s ASN 244 Ca -0.15 1.41 0.13 0.00 0.21 0.00 0.00 52.86 54.46 3bxx s ASN 244 Cb 0.02 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 39.17 3bxx s ASN 244 CO 0.78 -2.01 1.75 -0.65 -2.79 0.00 0.00 177.10 174.18 3bxx h PRO 245 N 14.72 0.50 -0.98 0.43 0.11 -1.88 -3.17 132.00 141.74 3bxx h PRO 245 Ca -0.34 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.31 3bxx h PRO 245 Cb 1.21 -0.11 -0.25 0.00 0.11 0.00 0.00 31.00 31.95 3bxx h PRO 245 CO 1.04 0.33 0.54 0.36 -0.21 0.00 0.00 178.00 180.06 3bxx n LYS 246 N -4.78 2.25 -3.52 1.05 2.85 -1.26 -4.91 118.16 109.84 3bxx n LYS 246 Ca 0.26 -2.64 -0.37 0.00 -1.05 0.00 0.00 58.31 54.51 3bxx n LYS 246 Cb 0.79 -2.04 -0.06 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.86 3.63 0.10 0.58 0.00 -1.20 -5.11 121.76 116.90 3bxx s ALA 247 Ca 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 3bxx s ALA 247 Cb 0.42 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3bxx s ALA 247 CO 0.10 0.23 0.02 -1.83 0.00 0.00 0.00 175.76 174.28 3bxx s GLU 248 N -0.06 0.79 2.84 0.00 4.04 -1.26 -4.98 118.70 120.07 3bxx s GLU 248 Ca 0.20 -1.35 0.00 0.00 0.04 0.00 0.00 54.97 53.86 3bxx s GLU 248 Cb -0.14 0.21 0.00 0.00 0.02 0.00 0.00 34.13 34.22 3bxx s GLU 248 CO 0.08 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.71 3bxx n GLY 249 N -0.01 0.57 3.89 -3.83 0.00 -1.26 -4.85 105.19 99.70 3bxx n GLY 249 Ca -0.09 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.18 1.61 0.52 -1.26 -3.76 118.95 119.07 3bxx s ARG 250 Ca 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 55.52 3bxx s ARG 250 Cb 0.00 -2.18 0.09 0.00 0.52 0.00 0.00 34.95 33.38 3bxx s ARG 250 CO 0.00 -0.65 0.22 0.71 0.02 0.00 0.00 175.30 175.60 3bxx s TYR 251 N -3.08 -0.29 0.33 -0.53 2.02 -0.78 -4.94 117.35 110.08 3bxx s TYR 251 Ca 0.54 0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 57.33 3bxx s TYR 251 Cb -0.11 -0.31 -0.09 0.00 -0.40 0.00 0.00 41.96 41.05 3bxx s TYR 251 CO 0.49 -0.54 1.04 0.42 -1.57 0.00 0.00 175.55 175.39 3bxx s ILE 252 N 2.34 3.75 -0.41 2.71 1.01 -1.26 -0.91 121.20 128.42 3bxx s ILE 252 Ca 0.06 1.54 0.09 0.00 0.00 0.00 0.00 60.65 62.34 3bxx s ILE 252 Cb -0.15 -3.90 0.28 0.00 0.01 0.00 0.00 42.46 38.70 3bxx s ILE 252 CO -0.11 0.21 0.60 0.00 0.00 0.00 0.00 174.94 175.64 3bxx s SER 254 N -1.67 2.71 -0.11 0.00 0.15 -1.26 -3.85 113.70 109.67 3bxx s SER 254 Ca 0.37 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.63 3bxx s SER 254 Cb 0.22 -0.41 -0.09 0.00 -1.71 0.00 0.00 66.02 64.03 3bxx s SER 254 CO -0.10 0.27 -0.05 -1.54 1.20 0.00 0.00 173.24 173.02 3bxx n SER 255 N 2.63 2.91 -4.75 5.45 3.41 0.14 -4.21 113.62 119.20 3bxx n SER 255 Ca -0.16 -0.04 -0.24 0.00 -0.26 0.00 0.00 58.87 58.17 3bxx n SER 255 Cb 0.52 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.24 2.64 -0.29 7.33 3.76 -0.90 -5.00 115.29 120.59 3bxx s HIS 256 Ca -0.12 -0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 54.14 3bxx s HIS 256 Cb 0.04 -1.92 0.11 0.00 1.11 0.00 0.00 32.58 31.92 3bxx s HIS 256 CO 0.32 0.18 0.67 0.16 -0.85 0.00 0.00 174.74 175.22 3bxx s ASP 257 N -3.92 -1.08 -0.18 1.40 1.47 -1.26 -2.18 116.67 110.92 3bxx s ASP 257 Ca 0.41 1.55 -0.18 0.00 1.18 0.00 0.00 52.55 55.51 3bxx s ASP 257 Cb 0.02 2.00 0.05 0.00 -0.34 0.00 0.00 42.92 44.65 3bxx s ASP 257 CO 0.23 -0.22 0.52 0.00 0.68 0.00 0.00 175.17 176.37 3bxx n ILE 259 N 2.66 0.00 -0.01 0.00 -5.35 -1.26 -2.29 119.36 113.11 3bxx n ILE 259 Ca -0.14 -0.30 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 3bxx n ILE 259 Cb 0.56 -0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.40 0.81 -0.56 7.28 2.10 0.51 -2.83 117.51 122.43 3bxx h ILE 260 Ca -0.55 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.49 3bxx h ILE 260 Cb 1.31 0.81 -0.11 0.00 -1.09 0.00 0.00 36.82 37.74 3bxx h ILE 260 CO 0.46 0.00 -0.30 0.25 -1.08 0.00 0.00 178.15 177.47 3bxx h LEU 261 N -0.04 -1.05 -1.63 2.19 7.12 -1.89 -0.13 115.31 119.88 3bxx h LEU 261 Ca 0.07 0.21 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 3bxx h LEU 261 Cb 0.15 0.53 -0.01 0.00 -0.53 0.00 0.00 40.66 40.80 3bxx h LEU 261 CO -0.15 -0.29 -0.20 0.44 -0.13 0.00 0.00 178.44 178.10 3bxx h ASP 262 N -0.16 0.00 -0.10 1.25 3.32 -1.91 0.69 116.42 119.51 3bxx h ASP 262 Ca 0.23 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3bxx h ASP 262 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3bxx h ASP 262 CO -0.65 0.20 -0.08 0.25 -1.72 0.00 0.00 179.24 177.25 3bxx h LEU 263 N 0.00 0.25 0.12 1.55 5.85 -0.81 -2.73 115.31 119.54 3bxx h LEU 263 Ca -0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3bxx h LEU 263 Cb 0.37 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3bxx h LEU 263 CO 0.03 0.65 -0.29 0.00 -0.34 0.00 0.00 178.44 178.48 3bxx h ALA 264 N 0.60 -0.85 -0.58 1.25 0.00 -0.85 0.13 119.26 118.96 3bxx h ALA 264 Ca 0.02 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.05 3bxx h ALA 264 Cb 0.57 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 3bxx h ALA 264 CO 0.02 -0.90 0.13 1.17 0.00 0.00 0.00 179.25 179.66 3bxx n LYS 265 N -4.10 -0.04 -0.03 0.00 4.81 0.20 0.40 118.16 119.39 3bxx n LYS 265 Ca -0.05 0.85 -0.14 0.00 -0.87 0.00 0.00 58.31 58.10 3bxx n LYS 265 Cb 0.24 -1.41 -0.10 0.00 0.02 0.00 0.00 35.03 33.77 3bxx n LYS 265 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 3bxx h MET 266 N 0.00 0.08 -0.74 1.64 4.05 -0.94 -3.10 114.93 115.93 3bxx h MET 266 Ca 0.41 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.70 3bxx h MET 266 Cb 0.95 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.73 3bxx h MET 266 CO -0.51 0.71 0.22 -0.07 0.23 0.00 0.00 176.91 177.49 3bxx h LEU 267 N -0.52 1.08 0.09 3.39 3.38 0.19 -2.38 115.31 120.53 3bxx h LEU 267 Ca -0.00 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3bxx h LEU 267 Cb 0.72 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3bxx h LEU 267 CO 0.02 1.01 -0.52 -0.09 0.09 0.00 0.00 178.44 178.95 3bxx h ARG 268 N 1.11 -0.70 -0.00 1.13 2.43 -0.13 0.44 114.38 118.65 3bxx h ARG 268 Ca 0.24 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3bxx h ARG 268 Cb 0.32 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3bxx h ARG 268 CO -0.01 -0.46 -0.08 -0.85 -1.51 0.00 0.00 179.97 177.06 3bxx n GLU 269 N -5.48 0.14 0.13 0.20 0.28 -1.17 -2.44 120.64 112.31 3bxx n GLU 269 Ca -0.08 -0.02 -0.24 0.00 -0.16 0.00 0.00 57.16 56.66 3bxx n GLU 269 Cb 0.41 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.62 3bxx n GLU 269 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3bxx h LYS 270 N 0.06 0.50 -2.20 3.44 3.11 -1.15 -3.43 116.57 116.89 3bxx h LYS 270 Ca 0.00 -0.85 -0.58 0.00 -2.81 0.00 0.00 60.65 56.41 3bxx h LYS 270 Cb 0.45 0.32 -0.40 0.00 -1.00 0.00 0.00 32.23 31.59 3bxx h LYS 270 CO 0.00 1.40 -0.84 0.66 -2.81 0.00 0.00 179.45 177.86 3bxx n TYR 271 N -3.68 1.52 -0.26 1.91 4.01 0.15 -4.97 117.16 115.83 3bxx n TYR 271 Ca -0.17 -3.84 0.11 0.00 -0.16 0.00 0.00 57.90 53.84 3bxx n TYR 271 Cb 1.10 -0.40 0.37 0.00 -0.31 0.00 0.00 39.34 40.09 3bxx n TYR 271 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3bxx h PRO 272 N 4.34 0.69 0.00 -0.72 0.10 -1.74 -2.62 132.00 132.05 3bxx h PRO 272 Ca 0.15 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.21 3bxx h PRO 272 Cb 0.78 -0.16 0.00 0.00 0.10 0.00 0.00 31.00 31.73 3bxx h PRO 272 CO 0.63 0.46 0.24 1.05 0.10 0.00 0.00 178.00 180.48 3bxx h GLU 273 N 0.71 0.00 -5.05 1.05 9.09 -1.93 -3.39 114.58 115.06 3bxx h GLU 273 Ca 0.44 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 59.22 3bxx h GLU 273 Cb 0.66 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 27.59 3bxx h GLU 273 CO -0.20 0.00 -0.54 0.71 0.05 0.00 0.00 179.01 179.03 3bxx s TYR 274 N -3.92 3.24 -1.05 2.06 2.02 -0.99 -1.50 117.35 117.22 3bxx s TYR 274 Ca -0.03 0.05 -0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3bxx s TYR 274 Cb 0.08 -2.25 -0.12 0.00 -0.40 0.00 0.00 41.96 39.26 3bxx s TYR 274 CO 0.26 -0.05 1.93 0.27 -1.57 0.00 0.00 175.55 176.39 3bxx n ASN 275 N 4.45 2.78 -4.73 2.29 0.23 -1.26 -4.94 115.26 114.08 3bxx n ASN 275 Ca -0.15 -2.68 -0.41 0.00 -0.53 0.00 0.00 54.58 50.81 3bxx n ASN 275 Cb 0.52 -1.55 -0.04 0.00 -2.08 0.00 0.00 39.78 36.62 3bxx n ASN 275 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3bxx s ILE 276 N 9.89 4.66 0.67 1.53 1.01 -1.26 -5.02 121.20 132.69 3bxx s ILE 276 Ca 0.67 1.94 -0.15 0.00 0.00 0.00 0.00 60.65 63.11 3bxx s ILE 276 Cb 0.03 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3bxx s ILE 276 CO 0.14 0.29 1.12 -2.16 0.00 0.00 0.00 174.94 174.33 3bxx s PRO 277 N 0.26 2.70 0.00 2.79 0.04 -1.26 -4.94 135.00 134.59 3bxx s PRO 277 Ca 0.46 1.42 0.19 0.00 0.04 0.00 0.00 61.00 63.11 3bxx s PRO 277 Cb -0.22 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3bxx s PRO 277 CO 0.27 -1.33 0.97 0.25 0.04 0.00 0.00 177.00 177.20 3bxx n THR 278 N -2.50 0.00 -4.56 1.26 -2.24 -1.26 -4.80 114.28 100.18 3bxx n THR 278 Ca 0.11 -0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 3bxx n THR 278 Cb 0.52 1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 69.83 3bxx n THR 278 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bxx s GLU 279 N -2.23 1.32 0.01 -0.78 -6.30 -1.26 -5.03 118.70 104.43 3bxx s GLU 279 Ca 0.16 -0.98 0.00 0.00 -2.50 0.00 0.00 54.97 51.65 3bxx s GLU 279 Cb 0.16 -1.46 -0.01 0.00 0.00 0.00 0.00 34.13 32.82 3bxx s GLU 279 CO 0.51 0.37 -0.02 -0.06 0.02 0.00 0.00 175.26 176.07 3bxx s PHE 280 N -0.87 0.19 -0.59 5.30 0.08 -1.26 -5.12 117.98 115.70 3bxx s PHE 280 Ca 0.07 -0.27 -0.27 0.00 0.12 0.00 0.00 56.93 56.57 3bxx s PHE 280 Cb -0.09 -0.13 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 3bxx s PHE 280 CO 0.02 -0.09 1.17 0.21 -0.10 0.00 0.00 175.22 176.43 3bxx s LYS 281 N -0.76 3.45 0.00 0.44 2.20 -1.26 -3.07 119.74 120.75 3bxx s LYS 281 Ca -0.08 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 3bxx s LYS 281 Cb -0.05 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3bxx s LYS 281 CO -0.00 -1.71 0.00 0.41 -0.36 0.00 0.00 175.35 173.69 3bxx n GLY 282 N 5.10 0.61 3.47 5.54 0.00 -1.26 -4.99 105.19 113.66 3bxx n GLY 282 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 4.25 0.54 1.61 1.01 -1.17 -5.01 120.40 119.43 3bxx s VAL 283 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 3bxx s VAL 283 Cb 0.00 -4.72 0.13 0.00 0.00 0.00 0.00 36.38 31.79 3bxx s VAL 283 CO 0.00 -1.52 0.54 -0.67 0.00 0.00 0.00 175.10 173.45 3bxx n ASP 284 N 7.90 -1.09 -0.01 3.32 2.03 -1.26 -4.60 116.55 122.84 3bxx n ASP 284 Ca -0.02 -0.92 0.08 0.00 0.52 0.00 0.00 54.79 54.45 3bxx n ASP 284 Cb 0.46 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.28 3bxx n ASP 284 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3bxx n GLU 285 N -2.86 0.92 -0.14 -0.67 2.13 -1.26 -4.19 120.64 114.58 3bxx n GLU 285 Ca 0.07 -0.10 0.04 0.00 0.66 0.00 0.00 57.16 57.83 3bxx n GLU 285 Cb 0.27 -1.33 0.11 0.00 0.27 0.00 0.00 31.44 30.76 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 -1.84 1.44 -4.62 4.31 3.02 -1.26 -4.82 115.26 111.49 3bxx n ASN 286 Ca -0.01 -2.03 -0.43 0.00 -0.03 0.00 0.00 54.58 52.08 3bxx n ASN 286 Cb 0.36 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.99 3.83 0.12 3.41 2.96 -1.26 -4.99 118.68 121.75 3bxx s LEU 287 Ca 0.17 1.71 -0.31 0.00 -0.22 0.00 0.00 54.13 55.48 3bxx s LEU 287 Cb 0.09 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 3bxx s LEU 287 CO 0.11 -1.40 1.43 -0.75 -1.32 0.00 0.00 176.35 174.42 3bxx s LYS 288 N 5.02 4.29 0.57 1.98 2.36 -1.26 -4.91 119.74 127.80 3bxx s LYS 288 Ca 0.78 2.14 -0.20 0.00 -2.55 0.00 0.00 55.97 56.13 3bxx s LYS 288 Cb -0.27 -3.25 -0.04 0.00 -1.05 0.00 0.00 37.83 33.22 3bxx s LYS 288 CO 0.32 -0.49 1.29 0.45 1.55 0.00 0.00 175.35 178.47 3bxx s SER 289 N 1.18 5.19 0.01 1.43 0.15 -1.26 -4.93 113.70 115.47 3bxx s SER 289 Ca 0.66 2.60 -0.02 0.00 0.70 0.00 0.00 55.95 59.89 3bxx s SER 289 Cb -0.38 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.27 3bxx s SER 289 CO 0.30 -1.61 0.18 -0.69 1.20 0.00 0.00 173.24 172.62 3bxx s VAL 290 N -1.42 5.35 0.09 4.45 1.01 -1.26 -4.89 120.40 123.72 3bxx s VAL 290 Ca 0.75 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3bxx s VAL 290 Cb -0.36 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3bxx s VAL 290 CO 0.41 0.27 -0.20 0.00 0.00 0.00 0.00 175.10 175.58 3bxx s PHE 292 N -1.08 2.84 -0.30 0.00 0.40 -1.26 -0.49 117.98 118.09 3bxx s PHE 292 Ca 0.06 -1.90 -0.24 0.00 -0.60 0.00 0.00 56.93 54.26 3bxx s PHE 292 Cb -0.10 -1.82 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 3bxx s PHE 292 CO 0.04 -0.81 0.80 0.45 0.70 0.00 0.00 175.22 176.39 3bxx s SER 293 N 1.25 6.69 -0.53 1.36 0.15 0.43 -4.59 113.70 118.46 3bxx s SER 293 Ca -0.03 0.73 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 3bxx s SER 293 Cb -0.17 -2.41 0.34 0.00 -1.71 0.00 0.00 66.02 62.07 3bxx s SER 293 CO -0.08 -0.60 2.06 -1.20 1.20 0.00 0.00 173.24 174.62 3bxx n SER 294 N 6.17 7.18 0.13 5.45 7.64 -1.26 -4.62 113.62 134.31 3bxx n SER 294 Ca 0.04 -3.48 -0.11 0.00 1.01 0.00 0.00 58.87 56.32 3bxx n SER 294 Cb 0.48 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.87 -0.38 -0.80 1.43 3.11 -1.89 -2.38 116.57 117.52 3bxx h LYS 295 Ca 0.47 0.03 0.28 0.00 -2.81 0.00 0.00 60.65 58.62 3bxx h LYS 295 Cb 0.81 0.09 -0.15 0.00 -1.00 0.00 0.00 32.23 31.98 3bxx h LYS 295 CO 1.24 -0.05 0.23 1.17 -2.81 0.00 0.00 179.45 179.22 3bxx n LYS 296 N -5.06 -0.06 0.23 1.90 4.81 -1.26 0.15 118.16 118.87 3bxx n LYS 296 Ca -0.08 1.16 -0.11 0.00 -0.87 0.00 0.00 58.31 58.40 3bxx n LYS 296 Cb 0.26 -1.96 -0.05 0.00 0.02 0.00 0.00 35.03 33.30 3bxx n LYS 296 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3bxx h LEU 297 N 0.00 -0.55 -1.49 3.14 5.85 -1.77 -2.83 115.31 117.66 3bxx h LEU 297 Ca 0.59 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.40 3bxx h LEU 297 Cb 1.41 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 3bxx h LEU 297 CO -0.69 -0.13 0.49 0.71 -0.34 0.00 0.00 178.44 178.48 3bxx h THR 298 N -1.14 0.88 -0.98 1.05 1.35 -0.65 0.43 112.91 113.85 3bxx h THR 298 Ca -0.07 -0.19 0.23 0.00 -0.55 0.00 0.00 66.41 65.83 3bxx h THR 298 Cb 0.53 0.28 -0.08 0.00 -1.73 0.00 0.00 68.15 67.15 3bxx h THR 298 CO 0.11 0.10 0.63 0.44 -0.25 0.00 0.00 175.52 176.55 3bxx h ASP 299 N 0.55 0.49 1.36 5.36 3.32 -0.19 0.15 116.42 127.44 3bxx h ASP 299 Ca 0.35 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3bxx h ASP 299 Cb 0.61 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3bxx h ASP 299 CO -0.12 0.15 0.00 -0.07 -1.72 0.00 0.00 179.24 177.48 3bxx h LEU 300 N 0.46 0.00 0.00 1.55 3.38 -0.65 -3.47 115.31 116.57 3bxx h LEU 300 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3bxx h LEU 300 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3bxx h LEU 300 CO -0.26 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.88 3bxx n GLY 301 N 0.42 1.05 3.77 0.83 0.00 0.52 -5.12 105.19 106.66 3bxx n GLY 301 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3bxx n GLY 301 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bxx s PHE 302 N -2.00 2.92 -0.08 1.61 5.36 -1.25 -5.04 117.98 119.50 3bxx s PHE 302 Ca 0.00 1.48 0.02 0.00 -0.96 0.00 0.00 56.93 57.46 3bxx s PHE 302 Cb 0.00 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 3bxx s PHE 302 CO 0.00 -1.75 -0.12 -1.21 -1.46 0.00 0.00 175.22 170.68 3bxx s GLU 303 N -2.28 1.76 -0.87 10.12 2.02 -1.26 -4.41 118.70 123.79 3bxx s GLU 303 Ca 0.57 -0.41 -0.25 0.00 0.02 0.00 0.00 54.97 54.90 3bxx s GLU 303 Cb -0.35 -1.53 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 3bxx s GLU 303 CO 0.44 -0.04 2.08 -0.06 0.02 0.00 0.00 175.26 177.69 3bxx s PHE 304 N 0.92 1.61 -2.00 1.61 0.08 -1.26 -4.85 117.98 114.09 3bxx s PHE 304 Ca -0.09 1.02 0.06 0.00 0.12 0.00 0.00 56.93 58.04 3bxx s PHE 304 Cb -0.15 -3.87 0.38 0.00 -0.57 0.00 0.00 43.02 38.81 3bxx s PHE 304 CO 0.01 -1.71 0.80 1.63 -0.10 0.00 0.00 175.22 175.85 3bxx n LYS 305 N 8.85 0.43 -3.97 0.44 4.76 -1.26 -4.85 118.16 122.55 3bxx n LYS 305 Ca 0.42 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.77 3bxx n LYS 305 Cb 0.46 -1.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.31 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 -2.00 0.24 0.51 2.13 1.51 -1.26 -5.08 117.35 113.40 3bxx s TYR 306 Ca 0.10 -0.49 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 3bxx s TYR 306 Cb 0.04 -0.18 0.05 0.00 -0.11 0.00 0.00 41.96 41.77 3bxx s TYR 306 CO 0.07 -0.19 0.71 -1.54 -1.11 0.00 0.00 175.55 173.49 3bxx s SER 307 N -1.43 5.31 0.35 2.29 1.04 -1.26 -4.98 113.70 115.02 3bxx s SER 307 Ca -0.16 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 55.85 3bxx s SER 307 Cb -0.10 -0.33 0.66 0.00 0.10 0.00 0.00 66.02 66.35 3bxx s SER 307 CO -0.01 -1.10 1.87 0.25 0.98 0.00 0.00 173.24 175.23 3bxx h LEU 308 N 0.31 0.35 -0.70 2.42 6.46 -2.00 -2.61 115.31 119.53 3bxx h LEU 308 Ca -0.37 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.18 3bxx h LEU 308 Cb 1.28 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 3bxx h LEU 308 CO 0.44 0.50 -0.40 -0.33 -0.62 0.00 0.00 178.44 178.03 3bxx h GLU 309 N 0.35 0.53 0.68 1.25 3.07 -2.01 -3.29 114.58 115.16 3bxx h GLU 309 Ca 0.07 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 3bxx h GLU 309 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3bxx h GLU 309 CO 0.02 0.85 -0.41 -0.44 -1.40 0.00 0.00 179.01 177.63 3bxx h ASP 310 N 0.44 -1.02 -0.31 1.42 3.32 -1.85 -3.05 116.42 115.37 3bxx h ASP 310 Ca 0.04 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.20 3bxx h ASP 310 Cb 0.90 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 3bxx h ASP 310 CO 0.08 -0.64 -0.50 0.00 -1.72 0.00 0.00 179.24 176.46 3bxx h MET 311 N -1.02 -0.42 0.00 3.56 -0.00 -1.65 -2.51 114.93 112.89 3bxx h MET 311 Ca -0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 3bxx h MET 311 Cb 0.82 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.51 3bxx h MET 311 CO 0.09 -0.28 -0.10 0.74 -0.00 0.00 0.00 176.91 177.36 3bxx h PHE 312 N -0.43 0.00 0.09 -0.10 0.04 -1.62 -2.01 116.94 112.90 3bxx h PHE 312 Ca 0.09 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.59 3bxx h PHE 312 Cb 0.62 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.78 3bxx h PHE 312 CO -0.63 0.10 -1.15 1.79 -0.60 0.00 0.00 178.31 177.82 3bxx h THR 313 N 0.00 1.40 -0.03 -1.55 1.35 -1.34 -2.26 112.91 110.47 3bxx h THR 313 Ca -0.00 -2.67 -0.14 0.00 -0.55 0.00 0.00 66.41 63.05 3bxx h THR 313 Cb 0.24 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 3bxx h THR 313 CO 0.01 0.79 -0.63 1.23 -0.25 0.00 0.00 175.52 176.68 3bxx h GLY 314 N 1.06 0.14 0.39 5.82 0.00 -1.21 0.38 103.07 109.65 3bxx h GLY 314 Ca -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3bxx h GLY 314 CO 0.20 0.17 -0.19 0.00 0.00 0.00 0.00 176.54 176.72 3bxx h ALA 315 N 1.26 -0.82 -0.36 3.60 0.00 -1.45 0.18 119.26 121.67 3bxx h ALA 315 Ca -0.01 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3bxx h ALA 315 Cb 1.13 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3bxx h ALA 315 CO 0.09 -0.79 -0.38 0.28 0.00 0.00 0.00 179.25 178.45 3bxx h VAL 316 N -0.70 0.17 -0.39 0.00 2.07 -1.47 0.18 116.25 116.11 3bxx h VAL 316 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3bxx h VAL 316 Cb 0.40 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3bxx h VAL 316 CO 0.09 0.00 0.03 0.44 0.02 0.00 0.00 177.57 178.15 3bxx h ASP 317 N -0.32 -0.09 0.75 0.57 3.32 -0.26 -0.56 116.42 119.84 3bxx h ASP 317 Ca 0.14 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3bxx h ASP 317 Cb 0.57 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3bxx h ASP 317 CO -0.53 -0.01 -0.25 0.74 -1.72 0.00 0.00 179.24 177.47 3bxx h THR 318 N 0.14 0.67 -0.09 0.35 2.02 0.47 -0.53 112.91 115.95 3bxx h THR 318 Ca 0.19 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 3bxx h THR 318 Cb 0.25 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3bxx h THR 318 CO -0.29 0.24 -0.13 0.00 0.37 0.00 0.00 175.52 175.71 3bxx h ARG 320 N -0.19 -0.77 -0.72 0.00 3.08 -0.69 0.42 114.38 115.52 3bxx h ARG 320 Ca 0.01 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.26 3bxx h ARG 320 Cb 0.68 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.77 3bxx h ARG 320 CO 0.03 -0.51 -0.15 0.00 -1.07 0.00 0.00 179.97 178.26 3bxx h ALA 321 N -0.83 0.51 -0.36 0.04 0.00 -1.23 0.23 119.26 117.63 3bxx h ALA 321 Ca -0.03 0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3bxx h ALA 321 Cb 0.74 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3bxx h ALA 321 CO -0.15 -0.42 0.21 1.63 0.00 0.00 0.00 179.25 180.52 3bxx n LYS 322 N -5.46 1.69 -4.31 0.00 5.02 -1.02 -4.88 118.16 109.20 3bxx n LYS 322 Ca 0.10 -1.18 -0.34 0.00 -2.02 0.00 0.00 58.31 54.87 3bxx n LYS 322 Cb 0.38 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.07 -0.26 0.04 0.72 0.00 0.81 -4.83 105.19 101.61 3bxx n GLY 323 Ca 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.39 0.00 -4.54 0.99 4.77 0.14 -4.91 117.00 109.06 3bxx n LEU 324 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 3bxx n LEU 324 Cb 0.60 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.76 3bxx n LEU 324 CO 0.87 0.18 -0.35 -0.76 -1.33 0.00 0.00 177.39 176.00 3bxx s LEU 325 N -4.52 3.29 0.14 2.23 1.43 -1.21 -4.95 118.68 115.08 3bxx s LEU 325 Ca -0.06 -0.07 -0.35 0.00 -1.03 0.00 0.00 54.13 52.62 3bxx s LEU 325 Cb 0.06 -1.78 -0.15 0.00 0.03 0.00 0.00 46.19 44.35 3bxx s LEU 325 CO 0.53 0.23 1.44 -2.65 0.23 0.00 0.00 176.35 176.12 3bxx n PRO 326 N 3.15 1.66 -0.35 1.29 -0.02 -1.26 -4.45 135.00 135.01 3bxx n PRO 326 Ca -0.18 0.60 0.28 0.00 -2.02 0.00 0.00 63.50 62.18 3bxx n PRO 326 Cb 0.53 -2.29 0.58 0.00 -0.02 0.00 0.00 33.50 32.30 3bxx n PRO 326 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3bxx h PRO 327 N 5.05 0.25 -3.22 0.52 0.11 -1.98 -3.44 132.00 129.30 3bxx h PRO 327 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3bxx h PRO 327 Cb 1.30 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3bxx h PRO 327 CO 0.82 0.16 0.16 -1.54 -0.21 0.00 0.00 178.00 177.39 3bxx s SER 328 N -5.08 0.03 0.00 -2.05 1.04 -1.26 -4.91 113.70 101.46 3bxx s SER 328 Ca -0.08 -1.00 0.25 0.00 0.48 0.00 0.00 55.95 55.60 3bxx s SER 328 Cb 0.26 0.76 0.45 0.00 0.10 0.00 0.00 66.02 67.58 3bxx s SER 328 CO 0.80 -1.48 1.40 1.41 0.98 0.00 0.00 173.24 176.36