#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjg s TYR 6 N 0.00 2.45 0.64 1.08 1.51 -1.26 -4.96 117.35 116.81 3bjg s TYR 6 Ca 0.00 1.37 -0.18 0.00 -1.01 0.00 0.00 57.07 57.25 3bjg s TYR 6 Cb 0.00 -3.76 -0.02 0.00 -0.11 0.00 0.00 41.96 38.07 3bjg s TYR 6 CO 0.00 -2.65 1.27 -2.14 -1.11 0.00 0.00 175.55 170.92 3bjg s PRO 7 N -2.71 2.64 -0.07 -1.71 0.02 -1.26 -4.72 135.00 127.20 3bjg s PRO 7 Ca 0.67 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.72 3bjg s PRO 7 Cb -0.39 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 3bjg s PRO 7 CO 0.48 -1.51 -0.21 0.42 -0.33 0.00 0.00 177.00 175.85 3bjg s ILE 8 N -1.48 1.81 -0.05 2.83 1.01 -1.26 -0.07 121.20 123.99 3bjg s ILE 8 Ca 0.81 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3bjg s ILE 8 Cb -0.35 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3bjg s ILE 8 CO 0.38 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.97 3bjg s ILE 9 N 0.15 2.25 -0.12 2.92 1.09 0.11 -4.97 121.20 122.64 3bjg s ILE 9 Ca -0.10 -1.00 -0.02 0.00 -1.10 0.00 0.00 60.65 58.42 3bjg s ILE 9 Cb -0.15 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.39 3bjg s ILE 9 CO 0.05 0.57 -0.03 0.20 -0.10 0.00 0.00 174.94 175.63 3bjg s ASN 10 N -0.28 4.88 -0.01 3.58 -0.87 -1.26 -0.06 114.94 120.93 3bjg s ASN 10 Ca 0.00 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 3bjg s ASN 10 Cb -0.13 -1.55 0.01 0.00 -0.02 0.00 0.00 41.25 39.56 3bjg s ASN 10 CO 0.03 0.27 -0.00 0.12 -2.57 0.00 0.00 177.10 174.94 3bjg s PHE 11 N -0.24 0.08 -0.11 2.20 5.36 -0.25 -4.88 117.98 120.14 3bjg s PHE 11 Ca 0.04 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 3bjg s PHE 11 Cb -0.13 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 3bjg s PHE 11 CO 0.02 -0.02 -0.12 -0.08 -1.46 0.00 0.00 175.22 173.56 3bjg s THR 12 N 0.22 3.18 -0.29 0.12 -1.32 -1.26 -0.54 115.64 115.76 3bjg s THR 12 Ca -0.02 -0.63 0.26 0.00 -1.21 0.00 0.00 61.69 60.08 3bjg s THR 12 Cb -0.03 -2.32 0.34 0.00 -1.51 0.00 0.00 72.50 68.98 3bjg s THR 12 CO -0.01 0.54 1.70 0.71 -2.21 0.00 0.00 174.62 175.36 3bjg h THR 13 N 5.08 0.03 -2.78 5.08 1.35 -1.52 -3.38 112.91 116.78 3bjg h THR 13 Ca -0.32 -0.91 -0.54 0.00 -0.55 0.00 0.00 66.41 64.08 3bjg h THR 13 Cb 1.20 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3bjg h THR 13 CO 0.55 0.02 0.94 0.00 -0.25 0.00 0.00 175.52 176.78 3bjg s ALA 14 N -3.33 3.62 -2.02 6.62 0.00 -1.26 -1.96 121.76 123.43 3bjg s ALA 14 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3bjg s ALA 14 Cb 0.06 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3bjg s ALA 14 CO 0.64 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3bjg n GLY 15 N 3.85 1.46 3.70 0.00 0.00 -1.26 -4.93 105.19 108.00 3bjg n GLY 15 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3bjg n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjg n ALA 16 N 0.66 1.24 -2.48 4.61 0.00 -0.83 -5.02 120.51 118.70 3bjg n ALA 16 Ca -0.20 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 3bjg n ALA 16 Cb 0.65 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.74 3bjg n ALA 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bjg s THR 17 N -1.20 1.22 0.24 0.00 -4.23 -1.26 -4.99 115.64 105.41 3bjg s THR 17 Ca 0.61 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 3bjg s THR 17 Cb -0.51 -2.76 0.20 0.00 1.34 0.00 0.00 72.50 70.77 3bjg s THR 17 CO 0.58 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.97 3bjg h VAL 18 N 2.02 0.67 -0.13 2.29 2.07 -1.87 0.11 116.25 121.41 3bjg h VAL 18 Ca -0.41 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3bjg h VAL 18 Cb 1.25 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3bjg h VAL 18 CO 0.70 0.08 -0.08 -0.61 0.02 0.00 0.00 177.57 177.68 3bjg h GLN 19 N 0.42 0.28 -0.03 1.57 5.75 -1.96 0.23 115.11 121.38 3bjg h GLN 19 Ca 0.39 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.66 3bjg h GLN 19 Cb 0.57 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3bjg h GLN 19 CO -0.39 0.63 -0.44 0.66 -2.65 0.00 0.00 178.83 176.65 3bjg h SER 20 N -0.07 0.07 -0.11 -0.69 4.64 -1.80 0.11 113.55 115.69 3bjg h SER 20 Ca 0.03 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3bjg h SER 20 Cb 0.56 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3bjg h SER 20 CO 0.02 0.50 -0.40 0.22 -0.87 0.00 0.00 176.83 176.30 3bjg h TYR 21 N 0.05 0.62 -0.21 4.77 3.20 -0.52 -1.39 116.97 123.50 3bjg h TYR 21 Ca 0.00 -0.26 0.03 0.00 3.14 0.00 0.00 58.73 61.65 3bjg h TYR 21 Cb 0.80 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3bjg h TYR 21 CO 0.00 1.01 0.01 1.15 -1.64 0.00 0.00 178.16 178.69 3bjg h THR 22 N 0.06 0.86 -0.78 1.81 2.02 -0.25 0.23 112.91 116.86 3bjg h THR 22 Ca -0.02 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.24 3bjg h THR 22 Cb 1.03 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 68.14 3bjg h THR 22 CO 0.08 0.01 0.41 0.78 0.37 0.00 0.00 175.52 177.18 3bjg h ASN 23 N 0.08 0.55 0.20 4.18 2.35 -0.74 -1.41 115.58 120.78 3bjg h ASN 23 Ca 0.10 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3bjg h ASN 23 Cb 0.12 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3bjg h ASN 23 CO -0.16 0.29 -0.10 0.15 -1.65 0.00 0.00 177.43 175.96 3bjg h PHE 24 N 0.67 -0.25 -0.80 1.19 3.57 -0.48 -1.11 116.94 119.73 3bjg h PHE 24 Ca 0.39 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3bjg h PHE 24 Cb 0.44 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3bjg h PHE 24 CO -0.09 0.01 0.46 0.82 -2.23 0.00 0.00 178.31 177.29 3bjg h ILE 25 N -0.50 1.23 -0.79 1.41 1.08 -0.32 -0.43 117.51 119.19 3bjg h ILE 25 Ca -0.03 -0.53 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3bjg h ILE 25 Cb 0.38 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 3bjg h ILE 25 CO 0.05 0.25 0.34 0.03 -0.69 0.00 0.00 178.15 178.12 3bjg h ARG 26 N 1.10 1.16 -0.45 2.37 3.08 -1.28 0.19 114.38 120.54 3bjg h ARG 26 Ca 0.28 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3bjg h ARG 26 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3bjg h ARG 26 CO -0.05 0.92 0.21 0.00 -1.07 0.00 0.00 179.97 179.99 3bjg h ALA 27 N 1.23 0.59 -0.01 0.04 0.00 -0.39 0.30 119.26 121.01 3bjg h ALA 27 Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bjg h ALA 27 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bjg h ALA 27 CO -0.03 0.15 0.01 0.28 0.00 0.00 0.00 179.25 179.66 3bjg h VAL 28 N 0.59 1.05 -0.65 0.00 2.07 -0.71 -0.09 116.25 118.52 3bjg h VAL 28 Ca 0.16 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3bjg h VAL 28 Cb 0.13 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3bjg h VAL 28 CO -0.02 0.04 0.37 -0.09 0.02 0.00 0.00 177.57 177.89 3bjg h ARG 29 N -0.04 0.90 -0.63 1.57 2.43 -0.60 0.32 114.38 118.34 3bjg h ARG 29 Ca 0.00 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3bjg h ARG 29 Cb 0.06 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 3bjg h ARG 29 CO -0.00 0.66 0.32 0.78 -1.51 0.00 0.00 179.97 180.22 3bjg h GLY 30 N 0.88 0.91 2.00 2.80 0.00 -0.06 -0.63 103.07 108.98 3bjg h GLY 30 Ca 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3bjg h GLY 30 CO -0.04 0.10 -0.41 3.21 0.00 0.00 0.00 176.54 179.40 3bjg h ARG 31 N 0.58 0.00 -0.00 4.80 2.47 -0.17 -2.58 114.38 119.48 3bjg h ARG 31 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3bjg h ARG 31 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3bjg h ARG 31 CO -0.21 0.41 -0.01 1.28 0.56 0.00 0.00 179.97 182.00 3bjg n LEU 32 N -3.65 0.01 -4.32 3.04 4.77 0.02 -4.65 117.00 112.22 3bjg n LEU 32 Ca -0.01 0.41 -0.46 0.00 -0.03 0.00 0.00 56.01 55.92 3bjg n LEU 32 Cb 0.50 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3bjg n LEU 32 CO 0.38 0.00 0.12 -0.89 -1.33 0.00 0.00 177.39 175.67 3bjg s THR 33 N -2.83 5.20 0.28 -5.08 2.01 -0.36 -4.72 115.64 110.14 3bjg s THR 33 Ca 0.20 -1.42 0.20 0.00 0.31 0.00 0.00 61.69 60.97 3bjg s THR 33 Cb 0.19 -4.29 0.17 0.00 0.01 0.00 0.00 72.50 68.58 3bjg s THR 33 CO 0.51 -0.82 1.84 0.71 -0.69 0.00 0.00 174.62 176.17 3bjg h THR 34 N 5.87 0.88 0.00 -0.82 1.35 -1.83 -3.47 112.91 114.89 3bjg h THR 34 Ca -0.30 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3bjg h THR 34 Cb 1.10 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3bjg h THR 34 CO 1.01 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 177.18 3bjg n GLY 35 N -0.17 0.84 0.12 5.82 0.00 -1.26 -4.90 105.19 105.65 3bjg n GLY 35 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3bjg n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjg h ALA 36 N 0.00 0.62 -2.10 4.61 0.00 -1.90 -3.45 119.26 117.03 3bjg h ALA 36 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 3bjg h ALA 36 Cb 0.01 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 17.39 3bjg h ALA 36 CO 0.00 0.77 -0.55 0.34 0.00 0.00 0.00 179.25 179.81 3bjg s ASP 37 N -6.52 0.83 -0.05 0.00 -1.08 -1.26 -5.09 116.67 103.50 3bjg s ASP 37 Ca 0.03 -0.13 -0.00 0.00 -0.52 0.00 0.00 52.55 51.93 3bjg s ASP 37 Cb 0.08 0.80 0.03 0.00 -1.46 0.00 0.00 42.92 42.37 3bjg s ASP 37 CO 0.76 -0.33 -0.01 -0.69 0.52 0.00 0.00 175.17 175.42 3bjg s VAL 38 N 2.45 0.36 -0.14 1.11 1.01 -1.26 0.43 120.40 124.36 3bjg s VAL 38 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3bjg s VAL 38 Cb -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3bjg s VAL 38 CO -0.19 0.21 -0.13 -0.13 0.00 0.00 0.00 175.10 174.87 3bjg s ARG 39 N 1.34 2.12 -1.42 2.72 0.52 -0.30 -4.71 118.95 119.22 3bjg s ARG 39 Ca -0.05 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 54.59 3bjg s ARG 39 Cb -0.13 -1.99 0.04 0.00 0.52 0.00 0.00 34.95 33.39 3bjg s ARG 39 CO -0.02 -0.24 0.93 0.72 0.02 0.00 0.00 175.30 176.71 3bjg n HIS 40 N 4.80 -2.27 -0.88 -0.53 8.25 -1.26 -1.79 115.22 121.54 3bjg n HIS 40 Ca -0.16 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 3bjg n HIS 40 Cb 0.50 -4.34 0.00 0.00 1.12 0.00 0.00 29.99 27.27 3bjg n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3bjg n GLU 41 N -4.58 0.00 -3.87 -0.41 1.02 -1.26 -4.95 120.64 106.59 3bjg n GLU 41 Ca -0.09 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.70 3bjg n GLU 41 Cb 0.59 -2.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.21 3bjg n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3bjg s ILE 42 N -3.61 3.53 0.61 -3.67 1.01 -0.74 -5.07 121.20 113.26 3bjg s ILE 42 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 3bjg s ILE 42 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3bjg s ILE 42 CO 0.00 0.35 1.29 -2.84 0.00 0.00 0.00 174.94 173.74 3bjg s PRO 43 N 1.49 2.79 -0.03 2.79 0.02 -1.25 -1.15 135.00 139.66 3bjg s PRO 43 Ca 0.05 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.15 3bjg s PRO 43 Cb -0.15 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3bjg s PRO 43 CO -0.02 -1.41 -0.09 0.08 -0.33 0.00 0.00 177.00 175.23 3bjg s VAL 44 N -1.41 3.51 0.66 3.83 1.01 0.17 -1.05 120.40 127.12 3bjg s VAL 44 Ca 0.79 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 3bjg s VAL 44 Cb -0.37 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3bjg s VAL 44 CO 0.40 0.51 1.09 -0.76 0.00 0.00 0.00 175.10 176.34 3bjg s LEU 45 N -1.05 3.34 0.47 3.92 1.43 0.28 -4.60 118.68 122.48 3bjg s LEU 45 Ca 0.14 1.91 -0.24 0.00 -1.03 0.00 0.00 54.13 54.91 3bjg s LEU 45 Cb -0.11 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 3bjg s LEU 45 CO 0.04 -1.58 1.35 -2.16 0.23 0.00 0.00 176.35 174.23 3bjg s PRO 46 N -4.28 3.60 0.18 1.29 0.04 -1.26 -3.86 135.00 130.71 3bjg s PRO 46 Ca 0.65 2.24 -0.32 0.00 0.04 0.00 0.00 61.00 63.61 3bjg s PRO 46 Cb -0.19 -2.54 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 3bjg s PRO 46 CO 0.44 -0.82 1.74 1.21 0.04 0.00 0.00 177.00 179.60 3bjg s ASN 47 N -0.78 6.41 0.45 6.66 2.47 -1.26 -4.48 114.94 124.41 3bjg s ASN 47 Ca 0.63 2.82 0.20 0.00 0.42 0.00 0.00 52.86 56.94 3bjg s ASN 47 Cb -0.40 -2.59 1.17 0.00 -1.45 0.00 0.00 41.25 37.98 3bjg s ASN 47 CO 0.50 -0.97 1.88 0.08 -3.72 0.00 0.00 177.10 174.87 3bjg h ARG 48 N 7.29 0.30 -6.20 0.43 0.11 -1.91 -3.36 114.38 111.04 3bjg h ARG 48 Ca -0.44 -0.02 -0.56 0.00 0.10 0.00 0.00 59.98 59.06 3bjg h ARG 48 Cb 1.21 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.18 3bjg h ARG 48 CO 0.95 0.20 0.96 0.08 0.10 0.00 0.00 179.97 182.26 3bjg s VAL 49 N -5.32 4.08 0.00 0.08 1.01 -1.26 -1.90 120.40 117.10 3bjg s VAL 49 Ca -0.07 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3bjg s VAL 49 Cb 0.22 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3bjg s VAL 49 CO 0.78 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3bjg n GLY 50 N 3.84 0.87 3.64 4.51 0.00 -1.26 -4.98 105.19 111.81 3bjg n GLY 50 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3bjg n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bjg s LEU 51 N 0.00 3.99 0.37 0.99 2.96 -0.80 -4.96 118.68 121.24 3bjg s LEU 51 Ca 0.00 1.32 -0.28 0.00 -0.22 0.00 0.00 54.13 54.95 3bjg s LEU 51 Cb 0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 3bjg s LEU 51 CO 0.00 -0.92 1.51 -2.65 -1.32 0.00 0.00 176.35 172.97 3bjg n PRO 52 N 6.96 2.71 -0.26 0.98 -0.02 -1.26 -4.84 135.00 139.26 3bjg n PRO 52 Ca 0.14 0.95 0.21 0.00 -2.02 0.00 0.00 63.50 62.78 3bjg n PRO 52 Cb 0.46 -2.70 0.54 0.00 -0.02 0.00 0.00 33.50 31.78 3bjg n PRO 52 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3bjg h ILE 53 N 3.02 0.62 -0.89 4.25 6.09 -1.99 0.02 117.51 128.63 3bjg h ILE 53 Ca -0.50 -0.12 0.18 0.00 -1.37 0.00 0.00 64.86 63.05 3bjg h ILE 53 Cb 1.24 0.24 -0.07 0.00 0.47 0.00 0.00 36.82 38.69 3bjg h ILE 53 CO 0.66 0.06 0.58 0.78 -3.07 0.00 0.00 178.15 177.17 3bjg h ASN 54 N 0.35 0.51 -0.33 2.19 4.21 -2.00 -2.49 115.58 118.02 3bjg h ASN 54 Ca 0.50 0.05 0.00 0.00 1.21 0.00 0.00 56.30 58.06 3bjg h ASN 54 Cb 1.35 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 3bjg h ASN 54 CO -0.18 0.22 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 3bjg n GLN 55 N -4.55 3.33 -0.04 0.81 6.02 -0.02 -4.69 117.38 118.24 3bjg n GLN 55 Ca 0.19 -2.88 -0.10 0.00 -0.01 0.00 0.00 57.00 54.20 3bjg n GLN 55 Cb 0.61 -1.91 -0.15 0.00 1.02 0.00 0.00 30.24 29.81 3bjg n GLN 55 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3bjg n ARG 56 N -0.22 0.65 -4.22 -1.09 3.00 -0.94 -4.80 116.66 109.05 3bjg n ARG 56 Ca 0.22 0.21 -0.16 0.00 -0.00 0.00 0.00 57.85 58.12 3bjg n ARG 56 Cb 0.94 -1.71 -0.11 0.00 0.00 0.00 0.00 32.46 31.58 3bjg n ARG 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3bjg s PHE 57 N -2.56 1.25 0.17 -0.14 0.08 -1.26 -0.83 117.98 114.69 3bjg s PHE 57 Ca -0.07 -0.63 0.07 0.00 0.12 0.00 0.00 56.93 56.41 3bjg s PHE 57 Cb 0.07 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 3bjg s PHE 57 CO 0.82 0.08 -0.15 0.96 -0.10 0.00 0.00 175.22 176.83 3bjg s ILE 58 N -2.51 1.63 -0.08 0.64 -4.36 -0.47 -4.25 121.20 111.80 3bjg s ILE 58 Ca 0.09 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 3bjg s ILE 58 Cb -0.03 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.80 3bjg s ILE 58 CO 0.01 -0.50 -0.23 -0.76 0.24 0.00 0.00 174.94 173.70 3bjg s LEU 59 N -2.98 2.19 -0.28 0.37 1.43 0.90 -0.00 118.68 120.31 3bjg s LEU 59 Ca 0.18 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3bjg s LEU 59 Cb -0.03 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.84 3bjg s LEU 59 CO 0.06 0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 176.09 3bjg s VAL 60 N -0.01 2.25 -0.21 -1.59 1.01 0.57 0.05 120.40 122.47 3bjg s VAL 60 Ca -0.08 -1.74 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 3bjg s VAL 60 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3bjg s VAL 60 CO 0.05 -0.13 0.67 -0.70 0.00 0.00 0.00 175.10 174.99 3bjg s GLU 61 N 1.08 4.19 -0.14 2.72 2.12 0.92 0.20 118.70 129.79 3bjg s GLU 61 Ca -0.06 0.67 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 3bjg s GLU 61 Cb -0.20 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 3bjg s GLU 61 CO -0.05 -0.31 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.77 3bjg s LEU 62 N 2.16 3.06 0.26 2.70 1.43 0.15 -1.09 118.68 127.35 3bjg s LEU 62 Ca 0.30 -0.19 0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3bjg s LEU 62 Cb -0.16 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3bjg s LEU 62 CO 0.10 0.18 -0.20 -0.44 0.23 0.00 0.00 176.35 176.22 3bjg s SER 63 N 0.28 3.42 0.27 2.29 0.01 0.30 -0.89 113.70 119.39 3bjg s SER 63 Ca -0.06 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.26 3bjg s SER 63 Cb -0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 3bjg s SER 63 CO 0.04 0.02 0.23 -0.46 0.41 0.00 0.00 173.24 173.48 3bjg n ASN 64 N -0.45 -0.54 0.20 2.44 6.94 -0.57 -1.23 115.26 122.04 3bjg n ASN 64 Ca -0.07 -2.79 0.06 0.00 -0.02 0.00 0.00 54.58 51.77 3bjg n ASN 64 Cb 0.59 1.36 0.44 0.00 -2.36 0.00 0.00 39.78 39.81 3bjg n ASN 64 CO 0.00 0.00 0.00 -0.74 -1.03 0.00 0.00 177.26 175.49 3bjg h HIS 65 N 1.87 0.00 0.00 -2.53 -0.00 -1.89 -0.33 115.15 112.27 3bjg h HIS 65 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 3bjg h HIS 65 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 3bjg h HIS 65 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 177.93 178.25 3bjg n ALA 66 N -2.36 2.15 -1.62 5.26 0.00 -1.26 -4.84 120.51 117.84 3bjg n ALA 66 Ca -0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 3bjg n ALA 66 Cb 0.41 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3bjg n ALA 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bjg n GLU 67 N -0.81 -1.03 -3.80 0.00 -0.58 -0.13 -5.01 120.64 109.28 3bjg n GLU 67 Ca 0.09 0.94 -0.32 0.00 -0.42 0.00 0.00 57.16 57.45 3bjg n GLU 67 Cb 0.04 -5.09 -0.04 0.00 -0.57 0.00 0.00 31.44 25.78 3bjg n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3bjg s LEU 68 N -3.47 4.32 -0.01 -4.62 1.43 -1.26 -4.88 118.68 110.19 3bjg s LEU 68 Ca 0.00 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3bjg s LEU 68 Cb 0.00 -3.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 3bjg s LEU 68 CO 0.00 0.13 -0.07 -0.55 0.23 0.00 0.00 176.35 176.09 3bjg s SER 69 N -2.40 0.84 0.10 2.29 0.15 -1.26 -1.52 113.70 111.90 3bjg s SER 69 Ca 0.37 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.95 3bjg s SER 69 Cb -0.13 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3bjg s SER 69 CO 0.25 0.07 -0.15 0.68 1.20 0.00 0.00 173.24 175.30 3bjg s VAL 70 N -0.06 1.28 -0.25 4.45 -7.23 -0.06 -4.52 120.40 114.01 3bjg s VAL 70 Ca 0.01 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3bjg s VAL 70 Cb -0.04 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.56 3bjg s VAL 70 CO -0.00 -0.32 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.51 3bjg s THR 71 N -1.76 2.73 0.17 5.32 2.01 0.14 0.30 115.64 124.54 3bjg s THR 71 Ca 0.05 -1.14 -0.24 0.00 0.31 0.00 0.00 61.69 60.66 3bjg s THR 71 Cb -0.07 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.94 3bjg s THR 71 CO 0.03 0.16 0.76 -0.76 -0.69 0.00 0.00 174.62 174.11 3bjg s LEU 72 N 1.28 4.56 -0.20 4.42 1.43 0.13 0.81 118.68 131.11 3bjg s LEU 72 Ca -0.01 1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 3bjg s LEU 72 Cb -0.17 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 3bjg s LEU 72 CO -0.05 0.19 0.04 0.00 0.23 0.00 0.00 176.35 176.77 3bjg s ALA 73 N -1.19 3.22 -0.00 4.21 0.00 0.17 -0.32 121.76 127.85 3bjg s ALA 73 Ca 0.36 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3bjg s ALA 73 Cb -0.22 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 3bjg s ALA 73 CO 0.25 -0.05 0.01 -0.51 0.00 0.00 0.00 175.76 175.46 3bjg s LEU 74 N 0.82 3.54 -0.19 0.00 1.02 1.00 -0.61 118.68 124.26 3bjg s LEU 74 Ca 0.02 0.00 -0.26 0.00 0.02 0.00 0.00 54.13 53.92 3bjg s LEU 74 Cb -0.14 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 3bjg s LEU 74 CO 0.02 0.28 0.89 -0.62 0.02 0.00 0.00 176.35 176.94 3bjg s ASP 75 N -1.57 6.99 0.56 2.29 -1.08 0.51 -1.37 116.67 123.01 3bjg s ASP 75 Ca 0.20 1.22 0.33 0.00 -0.52 0.00 0.00 52.55 53.78 3bjg s ASP 75 Cb -0.12 -2.48 1.46 0.00 -1.46 0.00 0.00 42.92 40.32 3bjg s ASP 75 CO 0.10 -0.48 1.79 0.24 0.52 0.00 0.00 175.17 177.35 3bjg h MET 76 N 7.40 0.00 0.00 4.34 2.86 -1.29 0.28 114.93 128.52 3bjg h MET 76 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3bjg h MET 76 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3bjg h MET 76 CO 0.87 0.00 -0.29 1.79 1.06 0.00 0.00 176.91 180.34 3bjg h THR 77 N 0.00 0.00 0.00 2.22 1.35 -1.80 -3.37 112.91 111.32 3bjg h THR 77 Ca 0.43 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3bjg h THR 77 Cb 1.92 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3bjg h THR 77 CO -0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 3bjg n ASN 78 N -2.65 0.00 -0.66 5.36 0.23 -1.06 -4.44 115.26 112.03 3bjg n ASN 78 Ca 0.04 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.00 3bjg n ASN 78 Cb 0.49 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.16 3bjg n ASN 78 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bjg n ALA 79 N 0.00 -0.13 -1.78 -2.53 0.00 0.97 -4.96 120.51 112.09 3bjg n ALA 79 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 3bjg n ALA 79 Cb 0.38 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 3bjg n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bjg s ALA 80 N -1.66 3.08 -0.10 0.00 0.00 -1.24 -4.46 121.76 117.38 3bjg s ALA 80 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3bjg s ALA 80 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3bjg s ALA 80 CO 0.00 -0.36 1.25 0.08 0.00 0.00 0.00 175.76 176.74 3bjg s VAL 81 N -1.58 4.22 -1.57 0.00 1.01 -1.26 -0.36 120.40 120.86 3bjg s VAL 81 Ca 0.58 1.51 0.18 0.00 0.00 0.00 0.00 61.98 64.26 3bjg s VAL 81 Cb -0.25 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3bjg s VAL 81 CO 0.31 -0.07 0.91 1.33 0.00 0.00 0.00 175.10 177.59 3bjg n VAL 82 N 5.00 0.00 -2.03 2.92 0.24 0.22 -4.89 118.33 119.80 3bjg n VAL 82 Ca 0.13 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3bjg n VAL 82 Cb 0.45 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 3bjg n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bjg n GLY 83 N 1.27 -0.83 3.45 7.63 0.00 -1.25 -0.70 105.19 114.76 3bjg n GLY 83 Ca 0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3bjg n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bjg s TYR 84 N -2.43 -0.47 -0.08 1.61 1.13 0.41 -0.66 117.35 116.86 3bjg s TYR 84 Ca 0.00 0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.96 3bjg s TYR 84 Cb 0.00 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 3bjg s TYR 84 CO 0.00 -0.73 -0.08 0.50 -2.51 0.00 0.00 175.55 172.73 3bjg s ARG 85 N -3.48 2.91 -0.15 -3.49 3.52 0.24 -0.78 118.95 117.72 3bjg s ARG 85 Ca 0.02 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3bjg s ARG 85 Cb -0.01 -2.61 0.04 0.00 -1.56 0.00 0.00 34.95 30.82 3bjg s ARG 85 CO -0.11 0.55 -0.03 0.00 -0.81 0.00 0.00 175.30 174.91 3bjg s ALA 86 N -0.51 1.25 0.00 6.12 0.00 0.77 0.25 121.76 129.64 3bjg s ALA 86 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3bjg s ALA 86 Cb -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3bjg s ALA 86 CO 0.02 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3bjg n GLY 87 N 4.96 3.77 1.92 0.00 0.00 -1.26 -1.58 105.19 113.00 3bjg n GLY 87 Ca -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3bjg n GLY 87 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bjg n ASN 88 N 6.49 4.78 -4.19 1.61 5.15 -1.26 -4.89 115.26 122.96 3bjg n ASN 88 Ca 0.00 -3.09 -0.22 0.00 -0.60 0.00 0.00 54.58 50.66 3bjg n ASN 88 Cb 0.00 -0.73 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 3bjg n ASN 88 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3bjg s SER 89 N -0.87 2.00 0.00 1.20 0.01 -0.62 -1.61 113.70 113.81 3bjg s SER 89 Ca 0.51 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.35 3bjg s SER 89 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 3bjg s SER 89 CO 0.13 0.09 -0.17 0.00 0.41 0.00 0.00 173.24 173.70 3bjg s ALA 90 N -0.82 1.43 -0.09 1.44 0.00 0.42 -0.16 121.76 123.98 3bjg s ALA 90 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3bjg s ALA 90 Cb -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3bjg s ALA 90 CO 0.01 0.34 -0.16 0.71 0.00 0.00 0.00 175.76 176.66 3bjg s TYR 91 N -0.51 1.91 0.00 0.00 1.51 0.04 -0.66 117.35 119.64 3bjg s TYR 91 Ca 0.06 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.39 3bjg s TYR 91 Cb -0.07 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 3bjg s TYR 91 CO -0.00 -0.39 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.74 3bjg s PHE 92 N 0.73 2.38 0.64 2.71 0.08 0.11 -0.44 117.98 124.19 3bjg s PHE 92 Ca -0.12 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 3bjg s PHE 92 Cb -0.16 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3bjg s PHE 92 CO 0.03 0.06 1.26 -0.06 -0.10 0.00 0.00 175.22 176.41 3bjg s PHE 93 N -0.71 2.16 -0.11 0.36 0.08 0.12 0.04 117.98 119.91 3bjg s PHE 93 Ca 0.11 1.50 -0.35 0.00 0.12 0.00 0.00 56.93 58.31 3bjg s PHE 93 Cb -0.10 -3.62 -0.13 0.00 -0.57 0.00 0.00 43.02 38.60 3bjg s PHE 93 CO 0.01 -2.71 1.83 1.58 -0.10 0.00 0.00 175.22 175.83 3bjg n HIS 94 N -1.89 2.25 -1.85 0.36 -0.00 0.11 -4.67 115.22 109.53 3bjg n HIS 94 Ca 0.15 0.14 -0.41 0.00 -0.00 0.00 0.00 57.72 57.60 3bjg n HIS 94 Cb 0.49 -2.61 -0.01 0.00 -0.00 0.00 0.00 29.99 27.86 3bjg n HIS 94 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3bjg s PRO 95 N 3.73 4.15 0.28 1.57 0.02 -1.26 -4.52 135.00 138.97 3bjg s PRO 95 Ca 0.93 2.51 0.25 0.00 0.02 0.00 0.00 61.00 64.71 3bjg s PRO 95 Cb -0.78 -3.00 0.91 0.00 0.02 0.00 0.00 34.50 31.65 3bjg s PRO 95 CO 0.54 -0.50 1.76 -0.44 -0.33 0.00 0.00 177.00 178.02 3bjg h ASP 96 N 3.58 0.00 -5.14 2.53 3.32 -1.95 -3.47 116.42 115.29 3bjg h ASP 96 Ca -0.49 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.64 3bjg h ASP 96 Cb 1.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 3bjg h ASP 96 CO 0.68 0.00 0.35 0.54 -1.72 0.00 0.00 179.24 179.10 3bjg s ASN 97 N -4.61 -0.14 0.22 6.45 2.20 -1.26 -5.03 114.94 112.77 3bjg s ASN 97 Ca 0.07 -0.71 0.01 0.00 -0.94 0.00 0.00 52.86 51.28 3bjg s ASN 97 Cb 0.10 0.67 0.20 0.00 -2.00 0.00 0.00 41.25 40.23 3bjg s ASN 97 CO 0.50 -1.28 1.55 -0.61 -2.94 0.00 0.00 177.10 174.32 3bjg h GLN 98 N 2.00 0.40 -0.42 3.55 5.75 -1.99 -2.04 115.11 122.37 3bjg h GLN 98 Ca -0.25 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 57.88 3bjg h GLN 98 Cb 1.24 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 3bjg h GLN 98 CO 0.30 0.85 -0.22 1.05 -2.65 0.00 0.00 178.83 178.16 3bjg h GLU 99 N 0.31 0.84 -0.48 1.69 9.09 -1.99 -0.16 114.58 123.89 3bjg h GLU 99 Ca 0.00 -0.35 -0.05 0.00 0.05 0.00 0.00 59.36 59.02 3bjg h GLU 99 Cb 1.06 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 3bjg h GLU 99 CO 0.09 0.98 0.11 -0.44 0.05 0.00 0.00 179.01 179.80 3bjg h ASP 100 N 0.73 0.67 -0.69 3.06 3.32 -1.90 0.14 116.42 121.75 3bjg h ASP 100 Ca 0.10 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3bjg h ASP 100 Cb 0.76 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3bjg h ASP 100 CO 0.06 0.67 0.44 0.00 -1.72 0.00 0.00 179.24 178.69 3bjg h ALA 101 N 1.42 0.90 -0.20 3.45 0.00 -0.81 -1.32 119.26 122.69 3bjg h ALA 101 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3bjg h ALA 101 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bjg h ALA 101 CO -0.00 0.22 -0.21 1.49 0.00 0.00 0.00 179.25 180.75 3bjg h GLU 102 N 0.86 0.50 -0.70 0.00 4.22 -0.58 -3.23 114.58 115.65 3bjg h GLU 102 Ca 0.27 -0.27 0.10 0.00 0.08 0.00 0.00 59.36 59.54 3bjg h GLU 102 Cb -0.01 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 3bjg h GLU 102 CO -0.10 0.85 0.33 0.00 -2.18 0.00 0.00 179.01 177.91 3bjg h ALA 103 N 0.65 0.97 0.00 2.92 0.00 -0.26 -1.70 119.26 121.83 3bjg h ALA 103 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bjg h ALA 103 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3bjg h ALA 103 CO 0.05 -0.10 0.00 -0.84 0.00 0.00 0.00 179.25 178.37 3bjg h ILE 104 N 0.55 0.00 0.00 0.00 3.07 -1.28 -1.12 117.51 118.73 3bjg h ILE 104 Ca 0.36 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3bjg h ILE 104 Cb 0.42 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 3bjg h ILE 104 CO -0.30 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.15 3bjg n THR 105 N -2.80 1.04 1.25 0.16 -2.24 -0.64 -1.19 114.28 109.85 3bjg n THR 105 Ca 0.01 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 3bjg n THR 105 Cb 0.25 -1.42 0.40 0.00 -2.10 0.00 0.00 70.33 67.45 3bjg n THR 105 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bjg n HIS 106 N -2.13 0.11 -3.87 4.78 8.25 -0.42 -4.79 115.22 117.15 3bjg n HIS 106 Ca 0.01 -0.06 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 3bjg n HIS 106 Cb 0.12 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 3bjg n HIS 106 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bjg s LEU 107 N -1.81 4.25 -1.24 2.41 1.43 -0.34 -4.65 118.68 118.74 3bjg s LEU 107 Ca 0.35 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3bjg s LEU 107 Cb 0.20 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3bjg s LEU 107 CO 0.30 0.32 0.77 0.49 0.23 0.00 0.00 176.35 178.47 3bjg n PHE 108 N 2.55 -2.01 1.64 0.29 3.72 -1.26 -4.81 117.46 117.59 3bjg n PHE 108 Ca -0.18 0.79 0.15 0.00 -0.05 0.00 0.00 57.45 58.16 3bjg n PHE 108 Cb 0.54 -4.28 0.68 0.00 -0.94 0.00 0.00 39.48 35.48 3bjg n PHE 108 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3bjg n THR 109 N -4.11 0.00 0.46 4.37 -2.24 -1.26 -2.30 114.28 109.20 3bjg n THR 109 Ca -0.24 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3bjg n THR 109 Cb 0.66 0.05 0.13 0.00 -2.10 0.00 0.00 70.33 69.06 3bjg n THR 109 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3bjg n ASP 110 N -0.46 2.81 -4.79 3.42 5.75 -1.26 -4.98 116.55 117.05 3bjg n ASP 110 Ca 0.20 -1.83 -0.35 0.00 -0.01 0.00 0.00 54.79 52.79 3bjg n ASP 110 Cb 0.26 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3bjg n ASP 110 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3bjg s VAL 111 N -1.37 3.69 0.10 2.12 -7.23 -0.97 -4.95 120.40 111.79 3bjg s VAL 111 Ca 0.26 1.17 0.04 0.00 -1.81 0.00 0.00 61.98 61.64 3bjg s VAL 111 Cb 0.17 -3.54 -0.23 0.00 0.56 0.00 0.00 36.38 33.33 3bjg s VAL 111 CO 0.24 -0.12 1.21 -0.61 -0.31 0.00 0.00 175.10 175.51 3bjg h GLN 112 N 1.98 0.09 -5.24 4.82 5.75 -1.77 -3.45 115.11 117.28 3bjg h GLN 112 Ca -0.49 -0.15 -0.67 0.00 -0.15 0.00 0.00 58.65 57.19 3bjg h GLN 112 Cb 1.22 0.05 -0.31 0.00 1.07 0.00 0.00 27.48 29.51 3bjg h GLN 112 CO 0.60 1.05 -0.83 -0.80 -2.65 0.00 0.00 178.83 176.21 3bjg s ASN 113 N -6.82 3.47 -0.08 -0.69 0.01 -0.64 -5.04 114.94 105.15 3bjg s ASN 113 Ca -0.01 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.66 3bjg s ASN 113 Cb 0.09 -1.51 0.01 0.00 0.41 0.00 0.00 41.25 40.25 3bjg s ASN 113 CO 0.84 0.11 -0.13 -0.13 -1.51 0.00 0.00 177.10 176.28 3bjg s ARG 114 N 0.66 1.86 0.01 -0.60 0.52 -1.26 -0.43 118.95 119.70 3bjg s ARG 114 Ca -0.09 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 3bjg s ARG 114 Cb -0.16 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 3bjg s ARG 114 CO 0.02 -0.02 -0.10 0.71 0.02 0.00 0.00 175.30 175.93 3bjg s TYR 115 N 0.84 0.88 -0.17 -0.53 2.02 0.16 -4.99 117.35 115.57 3bjg s TYR 115 Ca -0.11 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3bjg s TYR 115 Cb -0.15 -0.54 -0.00 0.00 -0.40 0.00 0.00 41.96 40.86 3bjg s TYR 115 CO 0.02 -0.01 -0.12 0.99 -1.57 0.00 0.00 175.55 174.85 3bjg s THR 116 N -0.57 2.88 0.67 -0.71 2.01 -1.26 0.05 115.64 118.70 3bjg s THR 116 Ca 0.01 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 3bjg s THR 116 Cb -0.06 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3bjg s THR 116 CO 0.00 0.50 1.18 -0.36 -0.69 0.00 0.00 174.62 175.25 3bjg s PHE 117 N 0.90 2.30 -1.77 4.92 0.08 0.11 -4.91 117.98 119.62 3bjg s PHE 117 Ca -0.03 1.56 0.29 0.00 0.12 0.00 0.00 56.93 58.87 3bjg s PHE 117 Cb -0.15 -3.40 1.29 0.00 -0.57 0.00 0.00 43.02 40.19 3bjg s PHE 117 CO -0.01 -2.24 1.89 0.00 -0.10 0.00 0.00 175.22 174.76 3bjg n ALA 118 N -2.26 2.73 -2.62 5.36 0.00 -1.26 -2.76 120.51 119.70 3bjg n ALA 118 Ca 0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 3bjg n ALA 118 Cb 0.50 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3bjg n ALA 118 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3bjg s PHE 119 N -2.37 2.65 0.73 0.00 -0.71 -1.26 -4.84 117.98 112.18 3bjg s PHE 119 Ca 0.32 -0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 55.92 3bjg s PHE 119 Cb 0.20 -1.19 0.10 0.00 -1.21 0.00 0.00 43.02 40.92 3bjg s PHE 119 CO 0.45 0.62 1.03 0.20 -1.34 0.00 0.00 175.22 176.18 3bjg s GLY 120 N -3.54 1.74 -0.44 1.99 0.00 -1.26 0.05 107.32 105.85 3bjg s GLY 120 Ca 0.30 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.82 3bjg s GLY 120 CO 0.19 -0.75 1.85 0.61 0.00 0.00 0.00 173.10 175.00 3bjg n GLY 121 N -2.97 4.73 3.89 0.20 0.00 -1.26 -4.57 105.19 105.21 3bjg n GLY 121 Ca 0.11 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3bjg n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjg s ASN 122 N -1.59 6.52 0.26 1.61 2.20 -1.26 -4.95 114.94 117.72 3bjg s ASN 122 Ca 0.56 0.95 -0.02 0.00 -0.94 0.00 0.00 52.86 53.41 3bjg s ASN 122 Cb 0.47 -2.24 0.45 0.00 -2.00 0.00 0.00 41.25 37.93 3bjg s ASN 122 CO 0.08 -0.27 1.82 1.88 -2.94 0.00 0.00 177.10 177.67 3bjg h TYR 123 N 1.62 0.97 0.50 1.54 0.05 -1.97 -1.47 116.97 118.21 3bjg h TYR 123 Ca -0.47 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.31 3bjg h TYR 123 Cb 1.19 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3bjg h TYR 123 CO 0.60 0.40 -0.24 0.22 -1.05 0.00 0.00 178.16 178.08 3bjg h ASP 124 N 0.88 -0.57 -0.71 3.88 -0.00 -1.97 0.70 116.42 118.64 3bjg h ASP 124 Ca 0.43 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.46 3bjg h ASP 124 Cb 0.40 0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.84 3bjg h ASP 124 CO -0.25 -0.38 0.44 -0.09 -0.00 0.00 0.00 179.24 178.97 3bjg h ARG 125 N -0.71 0.95 -0.27 0.28 2.43 -1.85 -1.92 114.38 113.29 3bjg h ARG 125 Ca -0.07 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.86 3bjg h ARG 125 Cb 0.53 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3bjg h ARG 125 CO 0.11 0.66 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.66 3bjg h LEU 126 N 0.98 0.91 -0.78 3.80 4.07 -0.82 -0.46 115.31 123.01 3bjg h LEU 126 Ca 0.26 -0.53 -0.05 0.00 0.08 0.00 0.00 57.88 57.63 3bjg h LEU 126 Cb -0.07 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 3bjg h LEU 126 CO -0.05 1.27 0.27 -0.33 -1.08 0.00 0.00 178.44 178.52 3bjg h GLU 127 N 0.58 1.18 -0.22 1.13 5.08 0.57 0.24 114.58 123.14 3bjg h GLU 127 Ca 0.02 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3bjg h GLU 127 Cb 1.10 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3bjg h GLU 127 CO 0.11 0.98 -0.30 1.96 -1.00 0.00 0.00 179.01 180.76 3bjg h GLN 128 N 1.14 0.60 -0.75 2.33 4.20 -1.12 0.17 115.11 121.69 3bjg h GLN 128 Ca 0.25 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3bjg h GLN 128 Cb 0.27 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3bjg h GLN 128 CO -0.01 0.95 0.42 1.25 -0.67 0.00 0.00 178.83 180.77 3bjg h LEU 129 N 0.29 0.93 -1.50 1.46 5.85 -0.97 -1.88 115.31 119.49 3bjg h LEU 129 Ca 0.03 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3bjg h LEU 129 Cb 0.88 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3bjg h LEU 129 CO 0.07 0.75 -0.16 0.00 -0.34 0.00 0.00 178.44 178.76 3bjg h ALA 130 N 1.22 1.11 -0.24 1.25 0.00 -0.27 -3.34 119.26 118.99 3bjg h ALA 130 Ca 0.27 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3bjg h ALA 130 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3bjg h ALA 130 CO -0.04 0.20 -0.09 0.41 0.00 0.00 0.00 179.25 179.72 3bjg n GLY 131 N -0.21 0.75 3.32 0.00 0.00 0.50 -4.85 105.19 104.70 3bjg n GLY 131 Ca -0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3bjg n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bjg s ASN 132 N -2.60 -0.42 0.59 1.61 0.02 -0.66 -5.03 114.94 108.44 3bjg s ASN 132 Ca 0.00 0.75 -0.16 0.00 -1.02 0.00 0.00 52.86 52.43 3bjg s ASN 132 Cb 0.00 0.79 -0.04 0.00 0.02 0.00 0.00 41.25 42.02 3bjg s ASN 132 CO 0.00 -0.21 1.06 -0.76 0.02 0.00 0.00 177.10 177.21 3bjg s LEU 133 N -0.05 3.53 0.30 0.60 1.43 -1.26 -4.35 118.68 118.88 3bjg s LEU 133 Ca -0.02 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3bjg s LEU 133 Cb -0.03 -4.54 0.82 0.00 0.03 0.00 0.00 46.19 42.46 3bjg s LEU 133 CO 0.02 -1.18 1.67 0.03 0.23 0.00 0.00 176.35 177.12 3bjg h ARG 134 N 0.53 0.31 0.00 1.70 3.08 -1.93 -0.19 114.38 117.87 3bjg h ARG 134 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3bjg h ARG 134 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3bjg h ARG 134 CO 0.57 0.20 0.00 -0.85 -1.07 0.00 0.00 179.97 178.82 3bjg n GLU 135 N -5.11 0.15 -0.14 0.04 0.00 -1.26 -1.01 120.64 113.31 3bjg n GLU 135 Ca 0.24 0.60 0.10 0.00 0.00 0.00 0.00 57.16 58.10 3bjg n GLU 135 Cb 0.75 -1.95 0.15 0.00 0.00 0.00 0.00 31.44 30.39 3bjg n GLU 135 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3bjg n ASN 136 N -2.27 2.43 -4.15 -1.84 4.13 -0.10 -4.63 115.26 108.82 3bjg n ASN 136 Ca -0.01 -3.14 -0.34 0.00 1.68 0.00 0.00 54.58 52.77 3bjg n ASN 136 Cb 0.07 -0.45 -0.15 0.00 -1.54 0.00 0.00 39.78 37.72 3bjg n ASN 136 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bjg s ILE 137 N -2.90 2.63 0.43 2.41 1.01 -0.18 -4.89 121.20 119.70 3bjg s ILE 137 Ca 0.33 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.49 3bjg s ILE 137 Cb 0.29 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 3bjg s ILE 137 CO 0.03 0.12 1.24 -1.61 0.00 0.00 0.00 174.94 174.71 3bjg s GLU 138 N 1.25 3.86 0.23 2.79 2.02 -1.26 -4.00 118.70 123.59 3bjg s GLU 138 Ca -0.03 1.98 0.12 0.00 0.02 0.00 0.00 54.97 57.06 3bjg s GLU 138 Cb -0.18 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 3bjg s GLU 138 CO -0.05 -0.53 -0.22 -0.51 0.02 0.00 0.00 175.26 173.97 3bjg s LEU 139 N -2.70 2.51 0.00 1.80 1.43 0.47 -4.77 118.68 117.43 3bjg s LEU 139 Ca 0.60 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3bjg s LEU 139 Cb -0.34 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3bjg s LEU 139 CO 0.42 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.69 3bjg n GLY 140 N -0.17 -0.24 0.26 -3.19 0.00 -1.26 -1.32 105.19 99.28 3bjg n GLY 140 Ca -0.09 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 3bjg n GLY 140 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3bjg h ASN 141 N 0.00 0.65 0.67 1.61 -1.24 -1.88 -1.89 115.58 113.51 3bjg h ASN 141 Ca 0.00 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.78 3bjg h ASN 141 Cb 0.00 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 3bjg h ASN 141 CO 0.00 0.83 -0.42 1.23 -1.29 0.00 0.00 177.43 177.78 3bjg h GLY 142 N 0.98 -1.13 -0.18 1.57 0.00 -1.92 0.26 103.07 102.64 3bjg h GLY 142 Ca 0.10 0.47 0.21 0.00 0.00 0.00 0.00 47.33 48.10 3bjg h GLY 142 CO 0.04 -0.39 0.35 -2.55 0.00 0.00 0.00 176.54 173.99 3bjg h PRO 143 N -1.03 0.37 -0.25 4.80 0.11 -1.83 -1.79 132.00 132.37 3bjg h PRO 143 Ca -0.09 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.81 3bjg h PRO 143 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3bjg h PRO 143 CO 0.08 0.24 -0.61 1.25 -0.21 0.00 0.00 178.00 178.76 3bjg h LEU 144 N 0.38 0.97 -0.41 2.35 5.85 -0.98 0.18 115.31 123.64 3bjg h LEU 144 Ca 0.53 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3bjg h LEU 144 Cb 0.99 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3bjg h LEU 144 CO -0.53 1.35 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.71 3bjg h GLU 145 N 0.64 -0.04 -0.37 1.25 4.57 -0.04 -0.46 114.58 120.14 3bjg h GLU 145 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3bjg h GLU 145 Cb 1.22 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3bjg h GLU 145 CO 0.13 -0.03 -0.40 0.93 -1.18 0.00 0.00 179.01 178.46 3bjg h GLU 146 N -0.04 0.90 -0.86 1.92 5.08 -1.16 -2.58 114.58 117.85 3bjg h GLU 146 Ca 0.20 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3bjg h GLU 146 Cb 0.35 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3bjg h GLU 146 CO -0.45 1.13 0.55 0.00 -1.00 0.00 0.00 179.01 179.25 3bjg h ALA 147 N 0.80 1.36 -0.27 3.43 0.00 -0.21 -0.07 119.26 124.30 3bjg h ALA 147 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3bjg h ALA 147 Cb 0.99 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3bjg h ALA 147 CO 0.10 0.58 -0.14 0.82 0.00 0.00 0.00 179.25 180.60 3bjg h ILE 148 N 1.17 1.30 -0.63 0.00 2.04 -0.90 0.86 117.51 121.35 3bjg h ILE 148 Ca 0.31 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3bjg h ILE 148 Cb -0.11 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3bjg h ILE 148 CO -0.07 0.39 0.32 0.28 0.00 0.00 0.00 178.15 179.08 3bjg h SER 149 N 0.31 0.81 -0.29 1.72 0.02 -1.06 -0.97 113.55 114.09 3bjg h SER 149 Ca 0.06 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3bjg h SER 149 Cb 0.66 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3bjg h SER 149 CO 0.04 0.69 0.11 0.00 -1.14 0.00 0.00 176.83 176.54 3bjg h ALA 150 N 1.15 0.37 -0.92 3.77 0.00 -0.71 -0.31 119.26 122.62 3bjg h ALA 150 Ca 0.22 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3bjg h ALA 150 Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3bjg h ALA 150 CO -0.03 -0.02 0.58 -0.07 0.00 0.00 0.00 179.25 179.71 3bjg h LEU 151 N 0.31 0.92 -0.28 0.00 4.07 -0.74 -2.05 115.31 117.55 3bjg h LEU 151 Ca 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 3bjg h LEU 151 Cb 0.19 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3bjg h LEU 151 CO -0.01 0.59 -0.02 0.22 -1.08 0.00 0.00 178.44 178.14 3bjg h TYR 152 N 1.06 0.55 -0.00 1.13 3.20 -0.45 -3.00 116.97 119.46 3bjg h TYR 152 Ca 0.40 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3bjg h TYR 152 Cb 0.17 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3bjg h TYR 152 CO -0.02 0.66 -0.03 0.66 -1.64 0.00 0.00 178.16 177.79 3bjg n TYR 153 N -4.58 0.00 -0.09 -3.82 4.01 -0.19 -2.51 117.16 109.98 3bjg n TYR 153 Ca -0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.63 3bjg n TYR 153 Cb 0.27 -0.32 0.09 0.00 -0.31 0.00 0.00 39.34 39.07 3bjg n TYR 153 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3bjg h TYR 154 N 0.07 0.88 0.00 -0.72 3.20 -1.22 0.58 116.97 119.76 3bjg h TYR 154 Ca 0.00 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 3bjg h TYR 154 Cb 0.35 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3bjg h TYR 154 CO 0.00 0.91 -0.04 0.66 -1.64 0.00 0.00 178.16 178.05 3bjg h SER 155 N 0.69 0.00 -0.40 -2.11 4.64 -1.59 -2.07 113.55 112.71 3bjg h SER 155 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3bjg h SER 155 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3bjg h SER 155 CO 0.05 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.41 3bjg n THR 156 N -3.18 0.66 -1.01 2.95 -2.24 -0.99 -5.00 114.28 105.47 3bjg n THR 156 Ca -0.00 -0.83 -0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3bjg n THR 156 Cb 0.29 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3bjg n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bjg n GLY 157 N 1.17 0.44 1.13 3.38 0.00 -0.26 -4.94 105.19 106.12 3bjg n GLY 157 Ca 0.17 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3bjg n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjg n GLY 158 N -2.94 1.80 3.08 -0.02 0.00 0.19 -4.89 105.19 102.41 3bjg n GLY 158 Ca -0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3bjg n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bjg s THR 159 N -1.39 1.57 0.42 2.61 2.01 -1.20 -4.88 115.64 114.78 3bjg s THR 159 Ca 0.38 -0.70 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 3bjg s THR 159 Cb 0.22 -1.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.23 3bjg s THR 159 CO 0.31 0.45 1.07 -1.10 -0.69 0.00 0.00 174.62 174.66 3bjg s GLN 160 N 0.86 4.05 0.21 4.92 -1.52 -1.26 -4.74 119.66 122.18 3bjg s GLN 160 Ca -0.09 1.53 -0.17 0.00 -1.95 0.00 0.00 55.36 54.68 3bjg s GLN 160 Cb -0.15 -2.46 0.20 0.00 -0.22 0.00 0.00 33.01 30.39 3bjg s GLN 160 CO 0.00 -0.25 1.59 -0.07 -0.25 0.00 0.00 175.29 176.31 3bjg h LEU 161 N 2.29 -1.00 -1.29 2.90 3.38 -1.98 -0.16 115.31 119.45 3bjg h LEU 161 Ca -0.49 0.23 0.14 0.00 0.09 0.00 0.00 57.88 57.86 3bjg h LEU 161 Cb 1.22 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 42.45 3bjg h LEU 161 CO 0.61 -0.28 0.57 -0.65 0.09 0.00 0.00 178.44 178.79 3bjg h PRO 162 N -0.09 0.67 -0.11 1.13 0.11 -1.91 0.56 132.00 132.37 3bjg h PRO 162 Ca 0.29 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.16 3bjg h PRO 162 Cb 0.55 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3bjg h PRO 162 CO -0.74 0.44 -0.77 1.15 -0.21 0.00 0.00 178.00 177.87 3bjg h THR 163 N 0.69 1.33 -0.09 -1.15 2.02 -1.55 -1.50 112.91 112.66 3bjg h THR 163 Ca 0.45 -2.08 0.02 0.00 0.77 0.00 0.00 66.41 65.57 3bjg h THR 163 Cb 0.73 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 3bjg h THR 163 CO -0.21 0.64 -0.05 0.25 0.37 0.00 0.00 175.52 176.52 3bjg h LEU 164 N 0.40 -0.17 -0.19 2.58 6.46 -0.34 0.03 115.31 124.07 3bjg h LEU 164 Ca -0.05 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3bjg h LEU 164 Cb 1.37 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.39 3bjg h LEU 164 CO 0.15 -0.08 0.10 0.00 -0.62 0.00 0.00 178.44 177.99 3bjg h ALA 165 N 1.03 0.23 -0.72 1.25 0.00 -0.82 -0.09 119.26 120.13 3bjg h ALA 165 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3bjg h ALA 165 Cb 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3bjg h ALA 165 CO -0.13 -0.32 0.37 -0.09 0.00 0.00 0.00 179.25 179.08 3bjg h ARG 166 N 0.21 0.61 -0.56 0.00 2.43 -1.07 0.25 114.38 116.25 3bjg h ARG 166 Ca 0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3bjg h ARG 166 Cb 0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3bjg h ARG 166 CO -0.05 0.40 0.20 0.77 -1.51 0.00 0.00 179.97 179.78 3bjg h SER 167 N 0.63 0.80 -0.35 -3.80 0.02 -0.52 -0.94 113.55 109.39 3bjg h SER 167 Ca 0.35 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3bjg h SER 167 Cb 0.35 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3bjg h SER 167 CO -0.26 0.78 0.20 -0.26 -1.14 0.00 0.00 176.83 176.15 3bjg h PHE 168 N 0.78 0.37 -0.87 3.45 0.04 -0.63 -0.28 116.94 119.80 3bjg h PHE 168 Ca 0.18 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.03 3bjg h PHE 168 Cb 0.25 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 3bjg h PHE 168 CO 0.01 0.22 0.54 0.82 -0.60 0.00 0.00 178.31 179.30 3bjg h ILE 169 N 0.41 1.05 0.08 -0.55 2.04 -0.51 0.23 117.51 120.25 3bjg h ILE 169 Ca 0.14 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3bjg h ILE 169 Cb 0.01 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3bjg h ILE 169 CO -0.07 0.18 -0.04 0.40 0.00 0.00 0.00 178.15 178.62 3bjg h ILE 170 N 0.98 1.08 -0.30 -0.67 2.04 -0.90 -2.28 117.51 117.46 3bjg h ILE 170 Ca 0.38 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3bjg h ILE 170 Cb 0.17 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3bjg h ILE 170 CO -0.17 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.15 3bjg h ILE 172 N 0.13 1.13 -0.47 0.00 2.04 -0.59 -0.65 117.51 119.10 3bjg h ILE 172 Ca 0.14 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3bjg h ILE 172 Cb 0.17 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3bjg h ILE 172 CO -0.21 0.13 -0.12 1.56 0.00 0.00 0.00 178.15 179.50 3bjg h GLN 173 N 0.61 0.87 -0.00 2.37 4.20 -1.09 0.14 115.11 122.20 3bjg h GLN 173 Ca 0.16 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3bjg h GLN 173 Cb -0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3bjg h GLN 173 CO -0.03 0.94 -0.25 -1.33 -0.67 0.00 0.00 178.83 177.49 3bjg n MET 174 N -4.15 0.40 0.00 1.46 2.81 -0.32 -2.48 117.12 114.83 3bjg n MET 174 Ca 0.01 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 3bjg n MET 174 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3bjg n MET 174 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3bjg n ILE 175 N -1.14 0.00 -0.01 2.02 5.41 -0.28 -4.52 119.36 120.84 3bjg n ILE 175 Ca 0.10 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.76 3bjg n ILE 175 Cb 0.32 -0.82 -0.03 0.00 -0.71 0.00 0.00 39.64 38.39 3bjg n ILE 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3bjg h SER 176 N 0.00 -0.27 -0.12 4.38 0.02 -0.92 0.67 113.55 117.32 3bjg h SER 176 Ca 0.00 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3bjg h SER 176 Cb 0.00 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3bjg h SER 176 CO 0.00 -0.11 -0.38 -0.33 -1.14 0.00 0.00 176.83 174.87 3bjg h GLU 177 N -0.08 0.64 -0.44 3.45 4.39 -1.13 -1.08 114.58 120.33 3bjg h GLU 177 Ca 0.08 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 3bjg h GLU 177 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3bjg h GLU 177 CO -0.19 0.91 -0.26 0.00 -1.16 0.00 0.00 179.01 178.31 3bjg h ALA 178 N 1.05 0.70 -0.53 3.43 0.00 -1.26 -0.44 119.26 122.21 3bjg h ALA 178 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3bjg h ALA 178 Cb 0.89 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3bjg h ALA 178 CO 0.08 0.67 0.29 0.00 0.00 0.00 0.00 179.25 180.28 3bjg h ALA 179 N 0.89 0.68 -0.19 0.00 0.00 -0.79 -3.02 119.26 116.83 3bjg h ALA 179 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3bjg h ALA 179 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3bjg h ALA 179 CO 0.07 0.21 -0.09 0.00 0.00 0.00 0.00 179.25 179.44 3bjg h ARG 180 N 0.71 0.29 -3.56 0.00 3.08 -0.90 -3.40 114.38 110.60 3bjg h ARG 180 Ca 0.19 -0.06 -0.46 0.00 0.07 0.00 0.00 59.98 59.72 3bjg h ARG 180 Cb 0.06 -0.04 -0.39 0.00 0.08 0.00 0.00 29.97 29.68 3bjg h ARG 180 CO -0.03 0.40 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.45 3bjg s PHE 181 N -4.80 0.67 0.38 3.04 0.40 -0.20 0.12 117.98 117.59 3bjg s PHE 181 Ca -0.06 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 3bjg s PHE 181 Cb 0.15 -0.83 0.80 0.00 0.51 0.00 0.00 43.02 43.66 3bjg s PHE 181 CO 0.74 -0.41 1.97 1.96 0.70 0.00 0.00 175.22 180.18 3bjg h GLN 182 N 8.32 0.66 -0.55 0.44 7.50 -1.54 -0.49 115.11 129.46 3bjg h GLN 182 Ca -0.18 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 58.93 3bjg h GLN 182 Cb 1.13 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.48 3bjg h GLN 182 CO 0.28 0.44 0.34 -0.92 -1.50 0.00 0.00 178.83 177.46 3bjg h TYR 183 N 0.68 0.71 -0.16 2.96 3.20 -1.64 0.22 116.97 122.94 3bjg h TYR 183 Ca 0.29 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.94 3bjg h TYR 183 Cb 0.27 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.31 3bjg h TYR 183 CO -0.00 0.48 -0.76 0.82 -1.64 0.00 0.00 178.16 177.06 3bjg h ILE 184 N 0.74 1.28 -0.52 1.81 2.04 -1.61 -0.88 117.51 120.36 3bjg h ILE 184 Ca 0.20 -1.95 0.10 0.00 1.00 0.00 0.00 64.86 64.21 3bjg h ILE 184 Cb -0.04 1.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 3bjg h ILE 184 CO -0.04 0.62 0.05 -0.08 0.00 0.00 0.00 178.15 178.71 3bjg h GLU 185 N 0.55 0.17 -0.53 2.37 4.81 -1.05 -0.43 114.58 120.47 3bjg h GLU 185 Ca -0.05 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3bjg h GLU 185 Cb 1.39 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 3bjg h GLU 185 CO 0.16 0.11 0.20 0.78 -0.73 0.00 0.00 179.01 179.53 3bjg h GLY 186 N 0.18 0.72 0.69 1.92 0.00 -0.27 0.37 103.07 106.67 3bjg h GLY 186 Ca 0.26 -0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.57 3bjg h GLY 186 CO -0.39 0.02 0.61 0.83 0.00 0.00 0.00 176.54 177.61 3bjg h GLU 187 N 0.39 0.99 -0.36 4.80 4.39 -0.53 -0.71 114.58 123.55 3bjg h GLU 187 Ca 0.26 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 3bjg h GLU 187 Cb 0.27 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3bjg h GLU 187 CO -0.25 0.65 -0.29 0.52 -1.16 0.00 0.00 179.01 178.49 3bjg h MET 188 N 1.02 0.82 -0.75 2.33 2.86 -0.37 -2.54 114.93 118.31 3bjg h MET 188 Ca 0.43 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3bjg h MET 188 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3bjg h MET 188 CO -0.19 1.04 0.33 0.00 1.06 0.00 0.00 176.91 179.16 3bjg h ARG 189 N 0.61 1.09 -0.34 1.72 3.08 0.50 -1.09 114.38 119.96 3bjg h ARG 189 Ca 0.07 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3bjg h ARG 189 Cb 0.86 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3bjg h ARG 189 CO 0.07 0.87 0.10 1.15 -1.07 0.00 0.00 179.97 181.10 3bjg h THR 190 N 1.06 1.21 -0.66 2.04 2.02 -1.20 0.19 112.91 117.56 3bjg h THR 190 Ca 0.25 -0.68 0.09 0.00 0.77 0.00 0.00 66.41 66.84 3bjg h THR 190 Cb 0.16 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 3bjg h THR 190 CO -0.03 0.23 0.30 0.03 0.37 0.00 0.00 175.52 176.42 3bjg h ARG 191 N 0.39 0.50 -0.32 6.66 3.08 -1.00 -1.95 114.38 121.74 3bjg h ARG 191 Ca 0.11 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3bjg h ARG 191 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3bjg h ARG 191 CO -0.00 0.33 -0.15 0.82 -1.07 0.00 0.00 179.97 179.89 3bjg h ILE 192 N 0.51 1.29 -0.95 2.04 2.04 -0.83 0.56 117.51 122.17 3bjg h ILE 192 Ca 0.33 -1.26 0.12 0.00 1.00 0.00 0.00 64.86 65.06 3bjg h ILE 192 Cb 0.37 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 3bjg h ILE 192 CO -0.28 0.41 0.57 -0.09 0.00 0.00 0.00 178.15 178.75 3bjg h ARG 193 N 0.42 0.87 -0.29 2.37 2.43 -0.18 -2.27 114.38 117.73 3bjg h ARG 193 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3bjg h ARG 193 Cb 0.68 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3bjg h ARG 193 CO 0.05 0.57 0.00 0.66 -1.51 0.00 0.00 179.97 179.74 3bjg n TYR 194 N -4.69 0.90 -4.24 2.20 4.01 -0.78 -4.97 117.16 109.61 3bjg n TYR 194 Ca 0.18 -0.81 -0.30 0.00 -0.16 0.00 0.00 57.90 56.81 3bjg n TYR 194 Cb 0.36 -0.27 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3bjg n TYR 194 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3bjg n ASN 195 N -0.29 0.56 -4.90 7.72 5.15 -0.28 -4.94 115.26 118.28 3bjg n ASN 195 Ca 0.20 -1.21 -0.32 0.00 -0.60 0.00 0.00 54.58 52.65 3bjg n ASN 195 Cb 0.82 -1.94 -0.05 0.00 -0.53 0.00 0.00 39.78 38.09 3bjg n ASN 195 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3bjg s ARG 196 N -7.19 3.60 -0.09 1.20 1.81 0.18 -5.00 118.95 113.47 3bjg s ARG 196 Ca 0.03 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 53.94 3bjg s ARG 196 Cb -0.02 -2.92 0.01 0.00 -0.45 0.00 0.00 34.95 31.58 3bjg s ARG 196 CO 0.97 0.52 -0.14 -0.98 -0.68 0.00 0.00 175.30 175.00 3bjg s ARG 197 N -2.46 1.96 -0.21 3.54 1.70 -1.26 -4.36 118.95 117.88 3bjg s ARG 197 Ca 0.38 -0.48 -0.27 0.00 -0.47 0.00 0.00 55.73 54.89 3bjg s ARG 197 Cb -0.13 -1.67 0.07 0.00 -0.57 0.00 0.00 34.95 32.66 3bjg s ARG 197 CO 0.23 -0.03 0.71 -1.54 -1.08 0.00 0.00 175.30 173.59 3bjg s SER 198 N 0.89 -0.72 0.66 -2.89 1.04 -0.43 -4.84 113.70 107.41 3bjg s SER 198 Ca -0.09 1.24 -0.17 0.00 0.48 0.00 0.00 55.95 57.40 3bjg s SER 198 Cb -0.15 1.20 -0.01 0.00 0.10 0.00 0.00 66.02 67.16 3bjg s SER 198 CO 0.01 -0.35 1.19 0.00 0.98 0.00 0.00 173.24 175.06 3bjg n ALA 199 N 2.18 0.74 -1.93 5.32 0.00 -1.26 -0.39 120.51 125.16 3bjg n ALA 199 Ca -0.15 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3bjg n ALA 199 Cb 0.56 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 3bjg n ALA 199 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bjg s PRO 200 N -3.31 4.24 1.06 0.00 0.04 -1.26 -4.82 135.00 130.97 3bjg s PRO 200 Ca 0.80 2.31 -0.13 0.00 0.04 0.00 0.00 61.00 64.02 3bjg s PRO 200 Cb -0.38 -3.14 0.22 0.00 0.04 0.00 0.00 34.50 31.24 3bjg s PRO 200 CO 0.43 -0.52 1.08 0.16 0.04 0.00 0.00 177.00 178.19 3bjg s ASP 201 N 0.83 2.06 0.57 6.66 1.47 -1.26 -4.64 116.67 122.36 3bjg s ASP 201 Ca 0.65 1.15 0.26 0.00 1.18 0.00 0.00 52.55 55.79 3bjg s ASP 201 Cb -0.42 -1.80 1.64 0.00 -0.34 0.00 0.00 42.92 42.00 3bjg s ASP 201 CO 0.36 -3.48 2.21 -0.65 0.68 0.00 0.00 175.17 174.29 3bjg h PRO 202 N -2.13 0.00 -0.62 2.11 0.11 -1.75 -1.40 132.00 128.32 3bjg h PRO 202 Ca -0.55 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3bjg h PRO 202 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3bjg h PRO 202 CO 0.54 0.00 0.11 0.66 -0.21 0.00 0.00 178.00 179.10 3bjg h SER 203 N 0.00 0.97 -0.12 -2.05 4.64 -1.46 -1.23 113.55 114.30 3bjg h SER 203 Ca 0.01 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3bjg h SER 203 Cb 0.07 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3bjg h SER 203 CO -0.00 0.98 0.01 0.58 -0.87 0.00 0.00 176.83 177.53 3bjg h VAL 204 N 0.92 1.24 -0.17 0.95 2.07 -1.59 -2.29 116.25 117.39 3bjg h VAL 204 Ca 0.19 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3bjg h VAL 204 Cb 0.42 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3bjg h VAL 204 CO 0.01 0.22 0.06 0.40 0.02 0.00 0.00 177.57 178.29 3bjg h ILE 205 N -0.05 0.97 -0.17 4.57 1.08 -1.27 -1.11 117.51 121.53 3bjg h ILE 205 Ca 0.03 -0.05 -0.15 0.00 -0.39 0.00 0.00 64.86 64.30 3bjg h ILE 205 Cb 0.34 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 3bjg h ILE 205 CO 0.01 0.03 -0.54 0.71 -0.69 0.00 0.00 178.15 177.66 3bjg h THR 206 N 0.15 1.33 0.22 -0.27 1.35 -1.25 -0.06 112.91 114.39 3bjg h THR 206 Ca 0.07 -1.80 -0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3bjg h THR 206 Cb 0.04 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3bjg h THR 206 CO -0.07 0.55 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.50 3bjg h LEU 207 N 0.39 -0.47 -0.41 3.87 3.38 -1.25 0.10 115.31 120.91 3bjg h LEU 207 Ca 0.01 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3bjg h LEU 207 Cb 1.07 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3bjg h LEU 207 CO 0.10 -0.28 -0.13 -0.33 0.09 0.00 0.00 178.44 177.89 3bjg h GLU 208 N -0.42 -0.03 0.00 1.13 5.08 -0.89 -1.10 114.58 118.34 3bjg h GLU 208 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3bjg h GLU 208 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3bjg h GLU 208 CO -0.02 -0.02 -0.32 -0.91 -1.00 0.00 0.00 179.01 176.74 3bjg h ASN 209 N -0.04 0.00 -0.49 1.42 2.35 -0.84 -3.04 115.58 114.95 3bjg h ASN 209 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3bjg h ASN 209 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3bjg h ASN 209 CO -0.44 0.32 0.00 -1.20 -1.65 0.00 0.00 177.43 174.46 3bjg n SER 210 N -4.13 3.57 0.17 5.81 7.64 0.34 -4.67 113.62 122.36 3bjg n SER 210 Ca -0.02 -1.98 -0.14 0.00 1.01 0.00 0.00 58.87 57.74 3bjg n SER 210 Cb 0.37 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 3bjg n SER 210 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3bjg h TRP 211 N 4.27 -0.65 -0.47 1.43 7.01 -1.09 0.22 115.95 126.67 3bjg h TRP 211 Ca 0.00 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.08 3bjg h TRP 211 Cb 0.97 0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 28.22 3bjg h TRP 211 CO 0.32 -0.36 0.11 0.78 -2.79 0.00 0.00 178.44 176.50 3bjg h GLY 212 N -0.52 0.58 1.00 2.65 0.00 -1.84 -0.33 103.07 104.61 3bjg h GLY 212 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3bjg h GLY 212 CO -0.06 -0.04 0.10 3.21 0.00 0.00 0.00 176.54 179.75 3bjg h ARG 213 N 0.25 0.89 -0.63 4.80 -0.00 -1.78 -0.09 114.38 117.83 3bjg h ARG 213 Ca 0.23 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3bjg h ARG 213 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.12 3bjg h ARG 213 CO -0.29 0.86 0.39 -0.07 0.00 0.00 0.00 179.97 180.86 3bjg h LEU 214 N 0.78 0.74 -0.79 3.04 3.38 -0.52 0.41 115.31 122.35 3bjg h LEU 214 Ca 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3bjg h LEU 214 Cb 0.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3bjg h LEU 214 CO 0.01 0.57 0.49 0.28 0.09 0.00 0.00 178.44 179.88 3bjg h SER 215 N 0.85 0.94 -0.22 -0.43 0.02 -0.70 -1.81 113.55 112.19 3bjg h SER 215 Ca 0.23 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3bjg h SER 215 Cb -0.04 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 3bjg h SER 215 CO -0.04 0.72 -0.33 0.74 -1.14 0.00 0.00 176.83 176.78 3bjg h THR 216 N 1.08 1.32 -0.82 -2.27 2.02 -0.57 -1.46 112.91 112.21 3bjg h THR 216 Ca 0.29 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 3bjg h THR 216 Cb -0.06 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3bjg h THR 216 CO -0.06 0.48 0.36 0.00 0.37 0.00 0.00 175.52 176.67 3bjg h ALA 217 N 0.64 1.06 -0.15 6.16 0.00 0.06 -0.43 119.26 126.60 3bjg h ALA 217 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3bjg h ALA 217 Cb 0.91 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3bjg h ALA 217 CO 0.08 0.66 -0.04 0.82 0.00 0.00 0.00 179.25 180.77 3bjg h ILE 218 N 1.18 1.29 0.00 0.00 2.04 -1.33 -0.63 117.51 120.05 3bjg h ILE 218 Ca 0.28 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3bjg h ILE 218 Cb 0.17 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3bjg h ILE 218 CO -0.03 0.29 -0.07 1.56 0.00 0.00 0.00 178.15 179.90 3bjg h GLN 219 N -0.02 0.00 -0.29 2.37 4.20 -0.86 -2.01 115.11 118.50 3bjg h GLN 219 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3bjg h GLN 219 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3bjg h GLN 219 CO 0.01 0.07 0.00 0.39 -0.67 0.00 0.00 178.83 178.64 3bjg n GLU 220 N -3.20 2.16 -1.23 1.46 -0.58 -0.21 -4.83 120.64 114.22 3bjg n GLU 220 Ca 0.01 -1.88 -0.31 0.00 -0.42 0.00 0.00 57.16 54.55 3bjg n GLU 220 Cb 0.35 -1.31 0.10 0.00 -0.57 0.00 0.00 31.44 30.01 3bjg n GLU 220 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3bjg s SER 221 N -1.06 4.29 -0.60 1.62 1.04 -0.25 -4.81 113.70 113.94 3bjg s SER 221 Ca 0.25 1.79 -0.17 0.00 0.48 0.00 0.00 55.95 58.29 3bjg s SER 221 Cb 0.14 -2.47 0.12 0.00 0.10 0.00 0.00 66.02 63.91 3bjg s SER 221 CO 0.19 -2.16 0.64 0.21 0.98 0.00 0.00 173.24 173.10 3bjg s ASN 222 N -3.37 6.24 -1.53 7.02 3.04 -0.10 -4.38 114.94 121.86 3bjg s ASN 222 Ca 0.62 -1.67 -0.02 0.00 0.04 0.00 0.00 52.86 51.83 3bjg s ASN 222 Cb -0.17 -2.26 0.01 0.00 -1.54 0.00 0.00 41.25 37.28 3bjg s ASN 222 CO 0.56 -0.98 0.17 0.00 -3.04 0.00 0.00 177.10 173.82 3bjg n GLN 223 N 5.76 -2.67 0.00 0.43 6.02 -1.26 -1.35 117.38 124.32 3bjg n GLN 223 Ca -0.09 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 3bjg n GLN 223 Cb 0.42 -5.56 0.00 0.00 1.02 0.00 0.00 30.24 26.12 3bjg n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bjg n GLY 224 N -1.09 3.11 3.67 1.08 0.00 -1.26 -5.01 105.19 105.68 3bjg n GLY 224 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3bjg n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjg s ALA 225 N -2.73 3.58 0.29 4.61 0.00 -0.46 -0.85 121.76 126.20 3bjg s ALA 225 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3bjg s ALA 225 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3bjg s ALA 225 CO 0.00 -0.94 1.42 -0.06 0.00 0.00 0.00 175.76 176.18 3bjg s PHE 226 N 2.85 2.96 0.32 0.00 0.40 0.51 -0.92 117.98 124.09 3bjg s PHE 226 Ca 0.51 1.13 0.20 0.00 -0.60 0.00 0.00 56.93 58.17 3bjg s PHE 226 Cb -0.20 -3.82 0.99 0.00 0.51 0.00 0.00 43.02 40.50 3bjg s PHE 226 CO 0.14 -2.55 1.89 0.00 0.70 0.00 0.00 175.22 175.41 3bjg h ALA 227 N 4.34 1.24 -2.61 5.36 0.00 -1.87 -3.43 119.26 122.28 3bjg h ALA 227 Ca -0.47 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 3bjg h ALA 227 Cb 1.22 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 3bjg h ALA 227 CO 0.73 0.33 -0.19 -1.54 0.00 0.00 0.00 179.25 178.58 3bjg s SER 228 N -6.49 -0.43 0.61 0.00 1.04 -1.26 -5.14 113.70 102.04 3bjg s SER 228 Ca -0.02 0.75 -0.17 0.00 0.48 0.00 0.00 55.95 56.99 3bjg s SER 228 Cb 0.13 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 67.01 3bjg s SER 228 CO 0.66 -0.22 1.13 -2.16 0.98 0.00 0.00 173.24 173.63 3bjg s PRO 229 N -0.09 2.99 -0.16 4.02 0.04 -1.26 -4.93 135.00 135.61 3bjg s PRO 229 Ca -0.03 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 3bjg s PRO 229 Cb -0.03 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3bjg s PRO 229 CO 0.02 -1.13 0.06 0.42 0.04 0.00 0.00 177.00 176.41 3bjg s ILE 230 N -2.02 4.75 -0.28 0.56 1.01 -0.34 -4.90 121.20 119.98 3bjg s ILE 230 Ca 0.71 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 61.16 3bjg s ILE 230 Cb -0.23 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3bjg s ILE 230 CO 0.35 0.50 0.34 -1.10 0.00 0.00 0.00 174.94 175.04 3bjg s GLN 231 N 0.01 3.97 0.50 2.79 -1.52 -1.26 0.11 119.66 124.27 3bjg s GLN 231 Ca 0.06 -0.05 0.04 0.00 -1.95 0.00 0.00 55.36 53.45 3bjg s GLN 231 Cb -0.12 -3.67 -0.00 0.00 -0.22 0.00 0.00 33.01 29.00 3bjg s GLN 231 CO 0.01 -0.28 0.19 -0.51 -0.25 0.00 0.00 175.29 174.44 3bjg s LEU 232 N 2.02 2.63 0.06 2.90 1.43 0.23 -4.94 118.68 123.00 3bjg s LEU 232 Ca 0.13 -1.38 0.09 0.00 -1.03 0.00 0.00 54.13 51.95 3bjg s LEU 232 Cb -0.16 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3bjg s LEU 232 CO 0.10 -0.87 -0.26 -1.10 0.23 0.00 0.00 176.35 174.45 3bjg s GLN 233 N -4.03 1.74 1.02 1.70 -0.21 -1.26 0.52 119.66 119.14 3bjg s GLN 233 Ca 0.24 -1.15 -0.15 0.00 0.02 0.00 0.00 55.36 54.32 3bjg s GLN 233 Cb 0.01 -1.98 0.20 0.00 1.00 0.00 0.00 33.01 32.24 3bjg s GLN 233 CO 0.14 0.50 1.14 1.03 -2.12 0.00 0.00 175.29 175.99 3bjg s ARG 234 N -1.44 0.22 0.28 2.91 0.52 0.13 -3.11 118.95 118.46 3bjg s ARG 234 Ca 0.13 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.49 3bjg s ARG 234 Cb -0.10 -1.75 0.63 0.00 0.52 0.00 0.00 34.95 34.26 3bjg s ARG 234 CO 0.03 -2.79 1.75 0.00 0.02 0.00 0.00 175.30 174.31 3bjg h ARG 235 N -1.92 0.57 0.00 3.54 3.08 -1.90 0.19 114.38 117.93 3bjg h ARG 235 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3bjg h ARG 235 Cb 1.31 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3bjg h ARG 235 CO 0.50 0.38 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 3bjg n ASN 236 N -4.90 0.00 0.00 7.04 0.23 -1.26 -4.20 115.26 112.17 3bjg n ASN 236 Ca 0.20 -1.45 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 3bjg n ASN 236 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 3bjg n ASN 236 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bjg n GLY 237 N 0.60 1.91 3.80 4.83 0.00 0.64 -5.04 105.19 111.93 3bjg n GLY 237 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3bjg n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjg s SER 238 N -3.31 6.57 0.12 1.61 1.04 -1.26 -4.62 113.70 113.84 3bjg s SER 238 Ca 0.00 1.88 -0.31 0.00 0.48 0.00 0.00 55.95 58.00 3bjg s SER 238 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 3bjg s SER 238 CO 0.00 -0.62 1.57 -0.75 0.98 0.00 0.00 173.24 174.42 3bjg s LYS 239 N -3.11 4.22 -0.17 4.02 2.20 -1.26 0.22 119.74 125.87 3bjg s LYS 239 Ca 0.64 2.30 -0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3bjg s LYS 239 Cb -0.15 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3bjg s LYS 239 CO 0.19 -0.63 -0.05 0.12 -0.36 0.00 0.00 175.35 174.62 3bjg s PHE 240 N 1.72 1.73 -0.10 4.03 5.36 0.18 -4.85 117.98 126.05 3bjg s PHE 240 Ca 0.70 -1.11 -0.22 0.00 -0.96 0.00 0.00 56.93 55.35 3bjg s PHE 240 Cb -0.41 -1.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 3bjg s PHE 240 CO 0.31 -0.62 0.64 -1.12 -1.46 0.00 0.00 175.22 172.97 3bjg s SER 241 N 1.62 6.86 -0.26 6.13 0.01 -1.26 0.76 113.70 127.57 3bjg s SER 241 Ca 0.01 1.04 -0.10 0.00 1.31 0.00 0.00 55.95 58.20 3bjg s SER 241 Cb -0.15 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3bjg s SER 241 CO -0.08 -0.12 0.16 -0.69 0.41 0.00 0.00 173.24 172.92 3bjg s VAL 242 N 0.96 5.09 -0.60 3.43 1.01 0.31 -4.94 120.40 125.66 3bjg s VAL 242 Ca 0.33 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.51 3bjg s VAL 242 Cb -0.17 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3bjg s VAL 242 CO 0.15 0.29 0.49 -1.22 0.00 0.00 0.00 175.10 174.81 3bjg n TYR 243 N 4.87 0.00 -3.62 5.22 4.01 -1.26 -1.20 117.16 125.17 3bjg n TYR 243 Ca -0.15 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.44 3bjg n TYR 243 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 3bjg n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3bjg s ASP 244 N -1.87 -0.51 0.47 7.72 2.15 -1.26 -0.36 116.67 123.01 3bjg s ASP 244 Ca 0.05 0.61 0.12 0.00 0.43 0.00 0.00 52.55 53.76 3bjg s ASP 244 Cb 0.08 0.59 1.10 0.00 -0.30 0.00 0.00 42.92 44.39 3bjg s ASP 244 CO 0.40 -0.49 2.11 1.62 -0.17 0.00 0.00 175.17 178.64 3bjg h VAL 245 N 3.48 1.05 -0.75 1.11 3.04 -1.38 -3.30 116.25 119.49 3bjg h VAL 245 Ca -0.28 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.39 3bjg h VAL 245 Cb 1.16 0.82 -0.07 0.00 -2.01 0.00 0.00 31.29 31.19 3bjg h VAL 245 CO 0.35 0.05 0.42 0.77 -1.01 0.00 0.00 177.57 178.14 3bjg h SER 246 N 0.21 0.60 0.87 3.17 4.64 -1.95 0.22 113.55 121.32 3bjg h SER 246 Ca 0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3bjg h SER 246 Cb -0.01 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3bjg h SER 246 CO -0.01 0.36 0.00 2.30 -0.87 0.00 0.00 176.83 178.61 3bjg n ILE 247 N -4.77 0.73 0.96 0.95 -5.35 -1.24 -2.53 119.36 108.11 3bjg n ILE 247 Ca 0.11 0.10 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 3bjg n ILE 247 Cb 0.23 -0.94 0.28 0.00 -1.74 0.00 0.00 39.64 37.48 3bjg n ILE 247 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3bjg n LEU 248 N -2.02 0.46 -0.29 7.28 4.77 0.74 -4.29 117.00 123.65 3bjg n LEU 248 Ca 0.04 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3bjg n LEU 248 Cb 0.27 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3bjg n LEU 248 CO 0.21 0.10 1.19 0.40 -1.33 0.00 0.00 177.39 177.96 3bjg h ILE 249 N 0.00 1.24 -0.06 -0.08 2.04 -1.17 0.12 117.51 119.60 3bjg h ILE 249 Ca 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3bjg h ILE 249 Cb 0.52 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3bjg h ILE 249 CO 0.00 0.26 0.00 -0.81 0.00 0.00 0.00 178.15 177.60 3bjg n PRO 250 N -4.35 1.29 -0.04 2.37 -0.05 -1.26 -4.41 135.00 128.55 3bjg n PRO 250 Ca 0.09 -0.44 -0.06 0.00 -0.05 0.00 0.00 63.50 63.04 3bjg n PRO 250 Cb 0.08 -1.34 -0.03 0.00 -0.05 0.00 0.00 33.50 32.16 3bjg n PRO 250 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3bjg n ILE 251 N -0.35 0.41 -4.29 0.52 2.08 -0.02 -4.11 119.36 113.60 3bjg n ILE 251 Ca 0.15 -0.14 -0.34 0.00 0.56 0.00 0.00 62.75 62.99 3bjg n ILE 251 Cb 0.17 -1.12 -0.13 0.00 -0.75 0.00 0.00 39.64 37.81 3bjg n ILE 251 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3bjg s ILE 252 N -2.14 3.59 -0.11 1.39 2.07 0.21 -1.96 121.20 124.25 3bjg s ILE 252 Ca -0.10 -0.45 0.20 0.00 -1.41 0.00 0.00 60.65 58.89 3bjg s ILE 252 Cb 0.03 -2.59 -0.29 0.00 0.13 0.00 0.00 42.46 39.75 3bjg s ILE 252 CO 0.15 0.47 0.32 0.00 -1.91 0.00 0.00 174.94 173.97 3bjg n ALA 253 N 3.99 2.18 -3.40 1.50 0.00 0.32 -4.73 120.51 120.37 3bjg n ALA 253 Ca -0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 53.44 52.26 3bjg n ALA 253 Cb 0.52 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 3bjg n ALA 253 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bjg s LEU 254 N -5.03 0.73 0.04 0.00 1.43 -0.63 -3.86 118.68 111.36 3bjg s LEU 254 Ca -0.09 0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 3bjg s LEU 254 Cb 0.10 0.84 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 3bjg s LEU 254 CO 0.87 -0.12 -0.15 -0.04 0.23 0.00 0.00 176.35 177.13 3bjg s MET 255 N 0.65 2.17 0.18 1.70 -1.94 -0.22 -4.84 119.30 117.01 3bjg s MET 255 Ca -0.04 -0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 52.70 3bjg s MET 255 Cb -0.06 -2.26 -0.08 0.00 2.01 0.00 0.00 34.83 34.44 3bjg s MET 255 CO -0.04 0.55 1.32 0.54 -0.01 0.00 0.00 175.02 177.38 3bjg s VAL 256 N -0.95 3.25 -0.05 -6.03 0.11 -1.26 0.10 120.40 115.57 3bjg s VAL 256 Ca 0.15 1.01 -0.35 0.00 -2.93 0.00 0.00 61.98 59.86 3bjg s VAL 256 Cb -0.11 -3.64 -0.13 0.00 -1.53 0.00 0.00 36.38 30.97 3bjg s VAL 256 CO 0.06 0.14 1.76 0.00 -3.33 0.00 0.00 175.10 173.73 3bjg n TYR 257 N 2.85 2.22 0.00 1.54 4.19 -1.25 -4.75 117.16 121.97 3bjg n TYR 257 Ca 0.07 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.45 3bjg n TYR 257 Cb 0.43 -2.59 0.00 0.00 0.49 0.00 0.00 39.34 37.67 3bjg n TYR 257 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3bjg n ARG 258 N 5.47 1.21 -3.80 2.98 5.12 -1.26 -4.99 116.66 121.39 3bjg n ARG 258 Ca 0.22 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.04 3bjg n ARG 258 Cb 0.26 -0.89 -0.05 0.00 -1.16 0.00 0.00 32.46 30.62 3bjg n ARG 258 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bjg s ALA 260 N -3.90 2.91 0.15 0.00 0.00 -1.26 -4.96 121.76 114.70 3bjg s ALA 260 Ca 0.11 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 3bjg s ALA 260 Cb 0.01 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3bjg s ALA 260 CO -0.03 -0.58 1.24 -1.25 0.00 0.00 0.00 175.76 175.14 3bjg s PRO 261 N -2.86 4.44 0.81 0.00 0.04 -1.26 -4.95 135.00 131.22 3bjg s PRO 261 Ca 0.65 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 3bjg s PRO 261 Cb -0.25 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.11 3bjg s PRO 261 CO 0.30 -0.20 1.14 -1.25 0.04 0.00 0.00 177.00 177.03 3bjg s PRO 262 N 0.27 1.75 0.38 0.56 0.04 -1.26 -4.90 135.00 131.84 3bjg s PRO 262 Ca 0.56 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 3bjg s PRO 262 Cb -0.33 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3bjg s PRO 262 CO 0.34 -2.07 1.27 -2.30 0.04 0.00 0.00 177.00 174.28 3bjg n PRO 263 N -3.56 2.03 -0.86 0.56 -0.02 -1.26 -4.90 135.00 126.99 3bjg n PRO 263 Ca 0.11 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 3bjg n PRO 263 Cb 0.52 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3bjg n PRO 263 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3bjg s SER 264 N -0.41 3.24 0.00 2.55 0.01 -1.26 -5.24 113.70 112.59 3bjg s SER 264 Ca 0.58 2.19 0.00 0.00 1.31 0.00 0.00 55.95 60.03 3bjg s SER 264 Cb -0.54 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.12 3bjg s SER 264 CO 0.60 -2.89 0.00 -1.54 0.41 0.00 0.00 173.24 169.82