#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjx s ASN 3 N 0.00 6.63 0.48 1.09 2.20 -1.26 -5.01 114.94 119.07 3bjx s ASN 3 Ca 0.00 0.78 0.32 0.00 -0.94 0.00 0.00 52.86 53.02 3bjx s ASN 3 Cb 0.00 -2.17 1.41 0.00 -2.00 0.00 0.00 41.25 38.48 3bjx s ASN 3 CO 0.00 0.17 1.95 1.55 -2.94 0.00 0.00 177.10 177.83 3bjx h PRO 4 N 3.70 0.00 0.00 3.55 0.13 -1.98 -0.57 132.00 136.82 3bjx h PRO 4 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3bjx h PRO 4 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3bjx h PRO 4 CO 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 3bjx n ALA 5 N -1.99 2.29 -2.48 -0.56 0.00 -1.26 -4.83 120.51 111.68 3bjx n ALA 5 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 3bjx n ALA 5 Cb 0.24 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 3bjx n ALA 5 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3bjx s TYR 6 N -3.06 3.73 -0.03 0.00 5.04 -0.22 -4.47 117.35 118.33 3bjx s TYR 6 Ca 0.12 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.77 3bjx s TYR 6 Cb 0.15 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 40.18 3bjx s TYR 6 CO 0.57 0.63 -0.03 0.12 -1.34 0.00 0.00 175.55 175.50 3bjx s PHE 7 N -1.11 0.53 -0.18 4.97 5.36 -1.26 -4.81 117.98 121.47 3bjx s PHE 7 Ca 0.25 -0.11 -0.41 0.00 -0.96 0.00 0.00 56.93 55.71 3bjx s PHE 7 Cb -0.17 -0.51 -0.17 0.00 -0.34 0.00 0.00 43.02 41.83 3bjx s PHE 7 CO 0.14 -0.14 1.50 -0.35 -1.46 0.00 0.00 175.22 174.92 3bjx n PRO 8 N 3.93 0.74 -3.82 10.12 -0.04 -1.26 -4.91 135.00 139.77 3bjx n PRO 8 Ca -0.25 0.27 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 3bjx n PRO 8 Cb 0.51 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3bjx n PRO 8 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3bjx s GLN 9 N 2.07 1.22 -0.25 0.54 -2.07 -1.26 -4.65 119.66 115.26 3bjx s GLN 9 Ca 0.95 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 53.77 3bjx s GLN 9 Cb -1.16 0.37 0.06 0.00 -1.09 0.00 0.00 33.01 31.19 3bjx s GLN 9 CO 0.63 -0.56 -0.07 -1.17 -1.32 0.00 0.00 175.29 172.80 3bjx s LEU 10 N -3.20 2.95 0.86 2.60 2.96 -0.55 -4.97 118.68 119.33 3bjx s LEU 10 Ca 0.18 -1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 3bjx s LEU 10 Cb -0.02 -1.32 0.10 0.00 0.50 0.00 0.00 46.19 45.46 3bjx s LEU 10 CO 0.04 -0.23 1.09 -0.94 -1.32 0.00 0.00 176.35 174.99 3bjx s SER 11 N 1.28 3.86 0.41 3.68 1.04 -1.26 -4.78 113.70 117.93 3bjx s SER 11 Ca -0.06 1.46 0.17 0.00 0.48 0.00 0.00 55.95 58.00 3bjx s SER 11 Cb -0.19 -2.16 0.89 0.00 0.10 0.00 0.00 66.02 64.67 3bjx s SER 11 CO -0.06 -2.39 1.87 1.56 0.98 0.00 0.00 173.24 175.20 3bjx h GLN 12 N -1.38 0.00 0.22 4.02 4.20 -1.96 -2.08 115.11 118.13 3bjx h GLN 12 Ca -0.48 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 57.90 3bjx h GLN 12 Cb 1.27 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.09 3bjx h GLN 12 CO 0.56 0.30 -1.41 1.25 -0.67 0.00 0.00 178.83 178.86 3bjx h LEU 13 N 0.00 0.85 -0.20 1.46 5.85 -2.04 -3.36 115.31 117.88 3bjx h LEU 13 Ca -0.00 -0.88 -0.12 0.00 0.84 0.00 0.00 57.88 57.72 3bjx h LEU 13 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3bjx h LEU 13 CO 0.04 1.68 -0.59 0.44 -0.34 0.00 0.00 178.44 179.67 3bjx h ASP 14 N 0.19 0.00 -2.75 1.25 3.32 -1.88 -3.46 116.42 113.08 3bjx h ASP 14 Ca -0.24 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.23 3bjx h ASP 14 Cb 2.10 0.00 0.09 0.00 0.22 0.00 0.00 39.33 41.74 3bjx h ASP 14 CO 0.27 0.59 0.52 0.55 -1.72 0.00 0.00 179.24 179.44 3bjx n VAL 15 N -3.33 1.29 -4.04 -1.35 3.14 -0.80 -4.99 118.33 108.25 3bjx n VAL 15 Ca 0.01 -0.32 -0.10 0.00 -2.96 0.00 0.00 64.34 60.97 3bjx n VAL 15 Cb 0.73 -1.40 -0.08 0.00 -1.06 0.00 0.00 33.84 32.03 3bjx n VAL 15 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3bjx s SER 16 N 0.05 0.13 0.00 6.55 1.04 -1.26 -4.67 113.70 115.54 3bjx s SER 16 Ca 0.65 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3bjx s SER 16 Cb -0.65 0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3bjx s SER 16 CO 0.54 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3bjx n GLY 17 N -0.19 0.09 1.15 7.32 0.00 -1.26 -3.16 105.19 109.14 3bjx n GLY 17 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3bjx n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bjx n GLU 18 N 6.98 0.06 0.00 1.61 2.13 -1.26 -2.62 120.64 127.54 3bjx n GLU 18 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3bjx n GLU 18 Cb 0.00 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3bjx n GLU 18 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3bjx n GLU 20 N 1.12 0.00 -0.21 5.31 2.13 -1.19 -0.37 120.64 127.44 3bjx n GLU 20 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3bjx n GLU 20 Cb 0.03 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.77 3bjx n GLU 20 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3bjx h SER 21 N 0.00 0.85 -0.28 4.31 0.02 -1.84 -2.08 113.55 114.54 3bjx h SER 21 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3bjx h SER 21 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3bjx h SER 21 CO 0.00 0.83 0.18 0.74 -1.14 0.00 0.00 176.83 177.44 3bjx h THR 22 N 0.83 1.06 -0.49 -2.27 2.02 -1.00 -0.94 112.91 112.12 3bjx h THR 22 Ca 0.19 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.33 3bjx h THR 22 Cb 0.28 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 3bjx h THR 22 CO -0.01 0.07 0.10 1.88 0.37 0.00 0.00 175.52 177.93 3bjx h TYR 23 N 0.37 0.15 0.59 3.16 0.99 -1.79 -1.10 116.97 119.34 3bjx h TYR 23 Ca 0.10 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3bjx h TYR 23 Cb -0.04 0.01 0.01 0.00 1.00 0.00 0.00 36.73 37.70 3bjx h TYR 23 CO -0.06 -0.01 -0.28 1.49 -0.00 0.00 0.00 178.16 179.30 3bjx h GLU 24 N 0.23 -0.76 -0.71 4.88 4.57 -1.19 -2.28 114.58 119.32 3bjx h GLU 24 Ca 0.25 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.62 3bjx h GLU 24 Cb 0.33 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.99 3bjx h GLU 24 CO -0.32 -0.48 0.21 0.22 -1.18 0.00 0.00 179.01 177.45 3bjx h ASP 25 N -0.87 0.10 -0.26 1.04 3.58 -1.05 0.00 116.42 118.95 3bjx h ASP 25 Ca -0.08 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.55 3bjx h ASP 25 Cb 0.63 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.79 3bjx h ASP 25 CO 0.13 0.02 -0.07 0.40 -2.88 0.00 0.00 179.24 176.84 3bjx h ILE 26 N 0.32 0.74 -0.66 2.25 2.04 -1.14 0.17 117.51 121.23 3bjx h ILE 26 Ca 0.40 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.21 3bjx h ILE 26 Cb 0.64 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3bjx h ILE 26 CO -0.45 0.00 0.24 0.03 0.00 0.00 0.00 178.15 177.97 3bjx h ARG 27 N 0.00 0.99 -0.25 2.37 3.08 -0.56 -1.11 114.38 118.90 3bjx h ARG 27 Ca 0.13 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 3bjx h ARG 27 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3bjx h ARG 27 CO -0.27 0.82 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.02 3bjx h LEU 28 N 0.97 0.75 0.10 3.04 3.38 -0.76 -0.41 115.31 122.37 3bjx h LEU 28 Ca 0.22 -0.51 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 3bjx h LEU 28 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bjx h LEU 28 CO -0.02 1.11 -1.29 0.74 0.09 0.00 0.00 178.44 179.08 3bjx h THR 29 N 0.40 1.43 0.00 0.22 2.02 -0.56 -0.16 112.91 116.27 3bjx h THR 29 Ca 0.02 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.15 3bjx h THR 29 Cb 0.95 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 3bjx h THR 29 CO 0.08 0.88 -0.51 -0.07 0.37 0.00 0.00 175.52 176.27 3bjx h LEU 30 N 0.06 0.00 -2.14 2.58 3.38 -1.33 -3.44 115.31 114.42 3bjx h LEU 30 Ca -0.14 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 3bjx h LEU 30 Cb 1.95 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.81 3bjx h LEU 30 CO 0.18 0.03 -0.46 0.54 0.09 0.00 0.00 178.44 178.82 3bjx n ARG 31 N -2.57 -2.85 -4.09 1.13 1.74 -0.85 -4.96 116.66 104.21 3bjx n ARG 31 Ca 0.03 0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 57.46 3bjx n ARG 31 Cb 0.50 -4.27 -0.14 0.00 -1.02 0.00 0.00 32.46 27.53 3bjx n ARG 31 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3bjx s VAL 32 N -3.21 0.36 -0.86 1.55 -7.23 -0.22 -4.83 120.40 105.95 3bjx s VAL 32 Ca 0.10 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 3bjx s VAL 32 Cb -0.01 -0.34 0.21 0.00 0.56 0.00 0.00 36.38 36.79 3bjx s VAL 32 CO 0.42 -0.02 0.83 -0.81 -0.31 0.00 0.00 175.10 175.21 3bjx n PRO 33 N 2.64 1.96 -3.65 4.82 -0.04 -1.26 -4.55 135.00 134.92 3bjx n PRO 33 Ca -0.15 -0.79 -0.14 0.00 -0.04 0.00 0.00 63.50 62.38 3bjx n PRO 33 Cb 0.58 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 3bjx n PRO 33 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3bjx s TRP 34 N -1.46 -0.36 -0.24 0.54 -2.14 -1.26 -0.60 118.94 113.42 3bjx s TRP 34 Ca 0.14 0.50 -0.16 0.00 2.66 0.00 0.00 56.10 59.24 3bjx s TRP 34 Cb 0.10 0.25 -0.04 0.00 -3.10 0.00 0.00 33.47 30.68 3bjx s TRP 34 CO 0.04 -0.53 0.42 0.08 -2.66 0.00 0.00 176.95 174.30 3bjx s VAL 35 N -1.77 5.16 0.42 -0.66 1.01 -1.26 -4.75 120.40 118.55 3bjx s VAL 35 Ca -0.09 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 3bjx s VAL 35 Cb -0.02 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 3bjx s VAL 35 CO 0.03 0.18 0.95 0.00 0.00 0.00 0.00 175.10 176.26 3bjx n ALA 36 N 5.01 -0.04 -0.25 5.51 0.00 -1.26 -4.68 120.51 124.80 3bjx n ALA 36 Ca -0.07 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3bjx n ALA 36 Cb 0.51 -2.04 0.08 0.00 0.00 0.00 0.00 19.45 18.00 3bjx n ALA 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3bjx h PHE 37 N 1.41 -0.40 -0.85 0.00 3.57 -1.97 0.17 116.94 118.86 3bjx h PHE 37 Ca -0.44 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.21 3bjx h PHE 37 Cb 1.35 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 40.32 3bjx h PHE 37 CO 0.42 -0.32 0.55 0.78 -2.23 0.00 0.00 178.31 177.52 3bjx h GLY 38 N -0.00 1.20 1.22 2.40 0.00 -1.98 0.19 103.07 106.11 3bjx h GLY 38 Ca 0.35 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3bjx h GLY 38 CO -0.76 0.23 -0.35 0.00 0.00 0.00 0.00 176.54 175.66 3bjx h ARG 40 N 0.71 0.00 -0.04 0.00 3.08 0.46 -1.83 114.38 116.77 3bjx h ARG 40 Ca 0.07 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3bjx h ARG 40 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.97 3bjx h ARG 40 CO 0.08 0.39 -0.49 0.28 -1.07 0.00 0.00 179.97 179.16 3bjx h VAL 41 N 0.00 1.43 -0.05 2.04 2.07 -0.63 -1.47 116.25 119.63 3bjx h VAL 41 Ca -0.00 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.59 3bjx h VAL 41 Cb 0.74 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3bjx h VAL 41 CO 0.05 0.56 0.12 -0.07 0.02 0.00 0.00 177.57 178.25 3bjx h LEU 42 N -0.11 0.00 0.00 2.57 3.38 -0.65 -0.81 115.31 119.70 3bjx h LEU 42 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3bjx h LEU 42 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3bjx h LEU 42 CO 0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3bjx n ALA 43 N -2.14 2.12 0.68 1.53 0.00 -0.73 -2.56 120.51 119.41 3bjx n ALA 43 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3bjx n ALA 43 Cb 0.20 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 18.54 3bjx n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bjx n THR 44 N -1.38 0.32 -3.11 0.00 -2.24 -0.31 -4.80 114.28 102.76 3bjx n THR 44 Ca 0.08 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 3bjx n THR 44 Cb 0.22 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 3bjx n THR 44 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3bjx s PHE 45 N -3.12 3.54 0.13 4.78 0.08 -1.06 -4.99 117.98 117.35 3bjx s PHE 45 Ca 0.08 1.14 -0.31 0.00 0.12 0.00 0.00 56.93 57.96 3bjx s PHE 45 Cb 0.14 -2.76 -0.10 0.00 -0.57 0.00 0.00 43.02 39.73 3bjx s PHE 45 CO 0.68 0.07 1.78 -2.14 -0.10 0.00 0.00 175.22 175.50 3bjx s PRO 46 N 0.92 4.15 0.00 0.24 0.02 -1.26 -2.87 135.00 136.19 3bjx s PRO 46 Ca 0.34 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3bjx s PRO 46 Cb -0.17 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 30.87 3bjx s PRO 46 CO 0.15 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3bjx n GLY 47 N 4.13 2.62 0.24 0.52 0.00 -1.26 -4.83 105.19 106.61 3bjx n GLY 47 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3bjx n GLY 47 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bjx h TYR 48 N 0.00 -0.48 -0.30 1.61 3.20 -1.83 -3.26 116.97 115.90 3bjx h TYR 48 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3bjx h TYR 48 Cb 0.00 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3bjx h TYR 48 CO 0.00 -0.15 0.15 1.25 -1.64 0.00 0.00 178.16 177.77 3bjx h LEU 49 N -0.89 0.23 -0.89 2.82 5.85 -1.79 0.14 115.31 120.78 3bjx h LEU 49 Ca -0.05 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3bjx h LEU 49 Cb 0.55 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 3bjx h LEU 49 CO 0.09 0.17 0.49 -0.65 -0.34 0.00 0.00 178.44 178.20 3bjx h PRO 50 N 0.32 0.67 0.10 5.25 0.11 -1.94 0.17 132.00 136.67 3bjx h PRO 50 Ca 0.13 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.91 3bjx h PRO 50 Cb 0.04 -0.15 0.03 0.00 0.11 0.00 0.00 31.00 31.02 3bjx h PRO 50 CO -0.08 0.44 -1.19 1.25 -0.21 0.00 0.00 178.00 178.21 3bjx h LEU 51 N 0.69 0.87 -0.74 2.35 7.12 -1.50 -2.53 115.31 121.58 3bjx h LEU 51 Ca 0.48 -0.81 -0.08 0.00 0.13 0.00 0.00 57.88 57.60 3bjx h LEU 51 Cb 0.66 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 3bjx h LEU 51 CO -0.35 1.59 0.05 0.00 -0.13 0.00 0.00 178.44 179.60 3bjx h ALA 52 N 0.30 0.95 0.23 1.25 0.00 -0.50 -2.41 119.26 119.08 3bjx h ALA 52 Ca -0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3bjx h ALA 52 Cb 1.86 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3bjx h ALA 52 CO 0.23 0.65 -0.11 2.35 0.00 0.00 0.00 179.25 182.36 3bjx h TRP 53 N 0.95 -0.29 -0.88 0.00 2.91 -1.03 -3.00 115.95 114.61 3bjx h TRP 53 Ca 0.18 -0.01 0.21 0.00 1.13 0.00 0.00 58.89 60.40 3bjx h TRP 53 Cb 0.48 0.09 -0.17 0.00 -0.51 0.00 0.00 29.16 29.06 3bjx h TRP 53 CO 0.03 0.09 -0.11 0.54 -1.03 0.00 0.00 178.44 177.96 3bjx n ARG 54 N -5.04 -0.07 0.00 2.65 1.74 -0.95 -0.31 116.66 114.67 3bjx n ARG 54 Ca -0.09 1.34 0.15 0.00 -0.77 0.00 0.00 57.85 58.48 3bjx n ARG 54 Cb 0.26 -2.06 0.78 0.00 -1.02 0.00 0.00 32.46 30.42 3bjx n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bjx n ARG 55 N -5.36 0.55 -0.00 5.56 1.74 -0.91 -3.80 116.66 114.45 3bjx n ARG 55 Ca 0.17 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3bjx n ARG 55 Cb 0.55 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3bjx n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3bjx n SER 56 N -1.21 2.99 -0.30 0.55 7.64 0.57 -3.72 113.62 120.14 3bjx n SER 56 Ca 0.16 -0.20 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 3bjx n SER 56 Cb 0.20 1.01 0.07 0.00 -1.01 0.00 0.00 64.21 64.48 3bjx n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjx h ALA 57 N 0.03 1.06 -0.56 -0.43 0.00 -1.03 -2.73 119.26 115.60 3bjx h ALA 57 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3bjx h ALA 57 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3bjx h ALA 57 CO 0.00 0.62 -0.05 0.93 0.00 0.00 0.00 179.25 180.75 3bjx h GLU 58 N 1.17 1.02 -0.11 0.00 5.08 -1.86 -2.80 114.58 117.07 3bjx h GLU 58 Ca 0.28 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3bjx h GLU 58 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3bjx h GLU 58 CO -0.04 1.04 -0.21 0.00 -1.00 0.00 0.00 179.01 178.81 3bjx h ALA 59 N 0.95 1.45 -0.29 3.43 0.00 -1.76 -3.25 119.26 119.80 3bjx h ALA 59 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bjx h ALA 59 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3bjx h ALA 59 CO 0.04 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.96 3bjx n LEU 60 N -4.22 2.57 -0.69 0.00 4.77 -1.05 -3.46 117.00 114.92 3bjx n LEU 60 Ca -0.01 -1.11 0.08 0.00 -0.03 0.00 0.00 56.01 54.94 3bjx n LEU 60 Cb 0.31 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 3bjx n LEU 60 CO 0.38 0.55 0.55 2.30 -1.33 0.00 0.00 177.39 179.85 3bjx n ILE 61 N 0.92 0.33 -2.19 -0.08 -5.35 -1.17 -4.69 119.36 107.13 3bjx n ILE 61 Ca 0.18 -0.67 -0.32 0.00 -0.27 0.00 0.00 62.75 61.67 3bjx n ILE 61 Cb 0.46 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.39 3bjx n ILE 61 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3bjx s THR 62 N -1.17 4.53 0.36 7.28 -4.23 -1.22 0.31 115.64 121.49 3bjx s THR 62 Ca 0.22 1.08 0.06 0.00 -1.18 0.00 0.00 61.69 61.87 3bjx s THR 62 Cb 0.14 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.54 3bjx s THR 62 CO 0.20 -0.82 1.96 0.03 -0.54 0.00 0.00 174.62 175.44 3bjx h ARG 63 N 0.47 0.72 -0.23 3.99 3.08 -0.08 -2.25 114.38 120.07 3bjx h ARG 63 Ca -0.46 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.60 3bjx h ARG 63 Cb 1.19 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 31.00 3bjx h ARG 63 CO 0.61 0.47 -0.36 -0.92 -1.07 0.00 0.00 179.97 178.71 3bjx h TYR 64 N 0.74 -1.02 -0.58 3.04 3.20 -0.99 0.15 116.97 121.51 3bjx h TYR 64 Ca 0.32 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 3bjx h TYR 64 Cb 0.29 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 3bjx h TYR 64 CO -0.00 -0.42 0.01 0.00 -1.64 0.00 0.00 178.16 176.10 3bjx h ALA 65 N 0.42 0.78 -0.28 1.82 0.00 -1.64 0.24 119.26 120.60 3bjx h ALA 65 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3bjx h ALA 65 Cb 0.57 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3bjx h ALA 65 CO -0.44 0.61 0.06 1.49 0.00 0.00 0.00 179.25 180.98 3bjx h GLU 66 N 0.91 0.16 -0.50 0.00 4.57 -1.27 -1.32 114.58 117.12 3bjx h GLU 66 Ca 0.16 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3bjx h GLU 66 Cb 0.54 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3bjx h GLU 66 CO 0.03 0.11 0.01 1.96 -1.18 0.00 0.00 179.01 179.93 3bjx h GLN 67 N 0.17 0.84 -0.87 1.92 4.20 -0.51 -0.78 115.11 120.08 3bjx h GLN 67 Ca 0.13 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3bjx h GLN 67 Cb 0.13 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3bjx h GLN 67 CO -0.17 0.84 0.48 0.00 -0.67 0.00 0.00 178.83 179.31 3bjx h ALA 68 N 1.22 1.12 -0.34 3.87 0.00 -0.79 0.84 119.26 125.19 3bjx h ALA 68 Ca 0.15 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3bjx h ALA 68 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3bjx h ALA 68 CO 0.02 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.70 3bjx h ALA 69 N 1.26 1.02 -0.70 0.00 0.00 -0.87 -2.56 119.26 117.41 3bjx h ALA 69 Ca 0.31 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3bjx h ALA 69 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3bjx h ALA 69 CO -0.05 0.58 0.17 -0.44 0.00 0.00 0.00 179.25 179.52 3bjx h ASP 70 N 0.56 1.05 0.13 0.00 3.32 -0.60 -1.51 116.42 119.37 3bjx h ASP 70 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3bjx h ASP 70 Cb 0.65 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3bjx h ASP 70 CO 0.05 1.00 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.43 3bjx h GLU 71 N 1.05 -0.17 -0.75 3.56 4.81 -0.68 -2.54 114.58 119.86 3bjx h GLU 71 Ca 0.22 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3bjx h GLU 71 Cb 0.36 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3bjx h GLU 71 CO 0.00 -0.07 0.46 -0.07 -0.73 0.00 0.00 179.01 178.61 3bjx h LEU 72 N -0.23 0.88 -0.56 1.64 3.38 -1.28 -0.77 115.31 118.36 3bjx h LEU 72 Ca -0.02 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3bjx h LEU 72 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bjx h LEU 72 CO 0.03 0.67 -0.46 -0.09 0.09 0.00 0.00 178.44 178.68 3bjx h ARG 73 N 1.02 0.63 -0.24 1.13 2.43 -1.24 -2.40 114.38 115.70 3bjx h ARG 73 Ca 0.27 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3bjx h ARG 73 Cb -0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3bjx h ARG 73 CO -0.05 0.96 -0.13 0.93 -1.51 0.00 0.00 179.97 180.16 3bjx h GLU 74 N 0.50 0.52 0.00 0.20 5.08 -0.95 -2.99 114.58 116.94 3bjx h GLU 74 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3bjx h GLU 74 Cb 0.99 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3bjx h GLU 74 CO 0.09 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.43 3bjx n ARG 75 N -4.48 0.02 0.17 2.33 1.74 -0.36 -3.98 116.66 112.10 3bjx n ARG 75 Ca -0.04 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.44 3bjx n ARG 75 Cb 0.36 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.86 3bjx n ARG 75 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3bjx h SER 76 N 0.00 0.00 -3.97 0.55 0.02 -1.27 -3.46 113.55 105.41 3bjx h SER 76 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3bjx h SER 76 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3bjx h SER 76 CO 0.00 0.00 0.37 -0.76 -1.14 0.00 0.00 176.83 175.30 3bjx s LEU 77 N -4.86 4.14 -0.06 5.07 1.02 -1.26 -4.65 118.68 118.07 3bjx s LEU 77 Ca 0.03 1.86 -0.02 0.00 0.02 0.00 0.00 54.13 56.02 3bjx s LEU 77 Cb 0.09 -4.25 -0.04 0.00 0.02 0.00 0.00 46.19 42.02 3bjx s LEU 77 CO 0.40 -0.32 0.04 -0.76 0.02 0.00 0.00 176.35 175.73 3bjx s LEU 78 N -2.64 3.77 -0.85 1.79 1.43 -1.26 -5.05 118.68 115.87 3bjx s LEU 78 Ca 0.57 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.67 3bjx s LEU 78 Cb -0.17 -1.98 0.16 0.00 0.03 0.00 0.00 46.19 44.23 3bjx s LEU 78 CO 0.22 0.35 0.95 0.54 0.23 0.00 0.00 176.35 178.63 3bjx s ASN 79 N -1.17 6.62 0.00 2.29 2.20 -1.26 -4.65 114.94 118.96 3bjx s ASN 79 Ca 0.16 -2.18 0.00 0.00 -0.94 0.00 0.00 52.86 49.90 3bjx s ASN 79 Cb -0.12 -2.32 0.00 0.00 -2.00 0.00 0.00 41.25 36.81 3bjx s ASN 79 CO 0.06 -0.91 0.00 -0.38 -2.94 0.00 0.00 177.10 172.93 3bjx n ILE 80 N 4.98 0.00 -0.54 0.54 5.41 -1.26 -5.11 119.36 123.37 3bjx n ILE 80 Ca 0.16 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.65 3bjx n ILE 80 Cb 0.48 -0.40 0.18 0.00 -0.71 0.00 0.00 39.64 39.19 3bjx n ILE 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bjx n GLY 81 N 2.65 -2.68 3.77 7.39 0.00 -1.26 -4.93 105.19 110.13 3bjx n GLY 81 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3bjx n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bjx s PRO 82 N -3.70 4.20 -0.00 1.61 0.04 -1.26 -5.18 135.00 130.70 3bjx s PRO 82 Ca 0.49 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 3bjx s PRO 82 Cb -0.10 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3bjx s PRO 82 CO 0.51 -0.25 0.10 -0.51 0.04 0.00 0.00 177.00 176.88 3bjx s LEU 83 N -2.14 3.98 0.26 -3.56 1.43 -1.26 -5.08 118.68 112.31 3bjx s LEU 83 Ca 0.53 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 3bjx s LEU 83 Cb -0.35 -2.34 -0.14 0.00 0.03 0.00 0.00 46.19 43.39 3bjx s LEU 83 CO 0.46 0.27 1.21 -0.81 0.23 0.00 0.00 176.35 177.70 3bjx n PRO 84 N 1.12 1.64 -2.48 1.29 -0.04 -1.26 -4.91 135.00 130.36 3bjx n PRO 84 Ca -0.12 0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 3bjx n PRO 84 Cb 0.53 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3bjx n PRO 84 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3bjx s ASN 85 N -0.14 6.05 0.39 3.54 3.84 -1.26 -4.75 114.94 122.61 3bjx s ASN 85 Ca 0.64 -0.32 0.14 0.00 0.21 0.00 0.00 52.86 53.54 3bjx s ASN 85 Cb -0.70 -2.56 0.80 0.00 -0.55 0.00 0.00 41.25 38.25 3bjx s ASN 85 CO 0.55 -1.90 1.86 0.25 -2.79 0.00 0.00 177.10 175.08 3bjx h LEU 86 N 13.43 0.00 -0.41 3.21 5.85 -1.75 -1.96 115.31 133.69 3bjx h LEU 86 Ca -0.28 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3bjx h LEU 86 Cb 1.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3bjx h LEU 86 CO 1.27 0.33 0.14 0.50 -0.34 0.00 0.00 178.44 180.35 3bjx h LYS 87 N 0.00 0.63 -0.20 1.25 3.64 -1.79 -1.20 116.57 118.89 3bjx h LYS 87 Ca -0.00 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 3bjx h LYS 87 Cb 0.61 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3bjx h LYS 87 CO 0.04 0.61 -0.24 0.93 -2.27 0.00 0.00 179.45 178.52 3bjx h GLU 88 N 0.52 0.38 -0.71 1.90 4.39 -1.91 -2.39 114.58 116.76 3bjx h GLU 88 Ca 0.13 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3bjx h GLU 88 Cb 0.23 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3bjx h GLU 88 CO -0.01 0.60 0.27 -0.09 -1.16 0.00 0.00 179.01 178.62 3bjx h ARG 89 N 0.34 1.07 -0.03 2.33 9.65 -1.02 -2.09 114.38 124.62 3bjx h ARG 89 Ca 0.05 -0.20 -0.18 0.00 -1.10 0.00 0.00 59.98 58.55 3bjx h ARG 89 Cb 0.61 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3bjx h ARG 89 CO 0.04 0.89 -0.68 -0.07 2.80 0.00 0.00 179.97 182.95 3bjx h LEU 90 N 1.02 0.66 -0.68 3.80 3.38 -1.13 -2.62 115.31 119.73 3bjx h LEU 90 Ca 0.23 -0.72 0.14 0.00 0.09 0.00 0.00 57.88 57.62 3bjx h LEU 90 Cb 0.23 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.65 3bjx h LEU 90 CO -0.02 1.28 -0.13 1.88 0.09 0.00 0.00 178.44 181.54 3bjx h TYR 91 N 0.09 -0.29 0.00 1.13 0.05 -1.44 0.62 116.97 117.13 3bjx h TYR 91 Ca -0.08 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3bjx h TYR 91 Cb 1.36 0.23 0.00 0.00 1.01 0.00 0.00 36.73 39.33 3bjx h TYR 91 CO 0.13 -0.27 0.00 0.00 -1.05 0.00 0.00 178.16 176.96 3bjx h ALA 92 N 1.67 1.00 -0.00 3.88 0.00 -1.28 -3.16 119.26 121.36 3bjx h ALA 92 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3bjx h ALA 92 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3bjx h ALA 92 CO -0.67 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 177.92 3bjx n ALA 93 N -2.01 3.89 0.00 0.00 0.00 0.14 -4.97 120.51 117.56 3bjx n ALA 93 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3bjx n ALA 93 Cb 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3bjx n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bjx n GLY 94 N 1.33 -1.78 3.10 0.00 0.00 -0.79 -5.08 105.19 101.98 3bjx n GLY 94 Ca 0.04 0.73 -0.19 0.00 0.00 0.00 0.00 46.02 46.60 3bjx n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bjx s PHE 95 N 0.00 1.07 0.49 1.61 0.08 -0.84 -4.84 117.98 115.54 3bjx s PHE 95 Ca 0.00 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.82 3bjx s PHE 95 Cb 0.00 -0.65 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 3bjx s PHE 95 CO 0.00 0.01 0.57 0.16 -0.10 0.00 0.00 175.22 175.85 3bjx s ASP 96 N -0.89 5.15 0.28 1.36 1.47 -1.26 -4.06 116.67 118.71 3bjx s ASP 96 Ca 0.01 -0.78 0.01 0.00 1.18 0.00 0.00 52.55 52.97 3bjx s ASP 96 Cb -0.07 -0.14 0.61 0.00 -0.34 0.00 0.00 42.92 42.98 3bjx s ASP 96 CO 0.01 -0.98 1.76 0.44 0.68 0.00 0.00 175.17 177.07 3bjx h ASP 97 N 0.60 0.58 -0.53 2.11 3.32 -1.99 -0.10 116.42 120.40 3bjx h ASP 97 Ca -0.36 0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.82 3bjx h ASP 97 Cb 1.28 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 3bjx h ASP 97 CO 0.49 0.22 0.29 1.23 -1.72 0.00 0.00 179.24 179.75 3bjx h GLY 98 N 0.64 0.76 1.51 2.75 0.00 -1.99 -1.19 103.07 105.54 3bjx h GLY 98 Ca 0.50 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.42 3bjx h GLY 98 CO -0.38 0.15 -0.81 0.83 0.00 0.00 0.00 176.54 176.33 3bjx h GLU 99 N 0.57 0.47 0.00 4.80 5.08 -1.60 -2.27 114.58 121.63 3bjx h GLU 99 Ca 0.23 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3bjx h GLU 99 Cb 0.09 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3bjx h GLU 99 CO -0.13 1.06 -0.31 0.82 -1.00 0.00 0.00 179.01 179.45 3bjx h ILE 100 N 0.31 1.20 -0.19 3.13 2.04 -0.90 -1.44 117.51 121.65 3bjx h ILE 100 Ca -0.05 -1.05 -0.18 0.00 1.00 0.00 0.00 64.86 64.57 3bjx h ILE 100 Cb 1.41 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3bjx h ILE 100 CO 0.14 0.30 -0.59 -0.08 0.00 0.00 0.00 178.15 177.92 3bjx h GLU 101 N 0.00 0.74 -0.37 2.37 4.57 -1.00 -0.20 114.58 120.69 3bjx h GLU 101 Ca -0.00 -0.54 0.07 0.00 -1.18 0.00 0.00 59.36 57.71 3bjx h GLU 101 Cb 0.55 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 3bjx h GLU 101 CO 0.04 1.16 -0.08 0.87 -1.18 0.00 0.00 179.01 179.82 3bjx h LYS 102 N 0.46 0.01 -0.39 1.92 1.57 -1.04 0.05 116.57 119.17 3bjx h LYS 102 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3bjx h LYS 102 Cb 1.22 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3bjx h LYS 102 CO 0.13 0.01 0.25 0.28 -0.57 0.00 0.00 179.45 179.55 3bjx h VAL 103 N 0.01 1.10 -0.39 0.50 2.07 -1.23 -3.00 116.25 115.31 3bjx h VAL 103 Ca 0.18 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3bjx h VAL 103 Cb 0.27 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3bjx h VAL 103 CO -0.37 0.10 0.24 -0.09 0.02 0.00 0.00 177.57 177.47 3bjx h ARG 104 N 0.52 0.47 -0.93 1.57 2.43 -0.70 -0.59 114.38 117.15 3bjx h ARG 104 Ca 0.14 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.43 3bjx h ARG 104 Cb -0.05 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.30 3bjx h ARG 104 CO -0.03 0.31 0.55 0.00 -1.51 0.00 0.00 179.97 179.29 3bjx h ARG 105 N 0.48 0.77 -0.25 0.20 3.08 -0.95 0.12 114.38 117.84 3bjx h ARG 105 Ca 0.15 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 3bjx h ARG 105 Cb -0.02 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3bjx h ARG 105 CO -0.06 0.51 -0.47 0.28 -1.07 0.00 0.00 179.97 179.17 3bjx h VAL 106 N 0.80 1.30 -0.38 2.04 2.07 -1.34 -2.73 116.25 118.02 3bjx h VAL 106 Ca 0.49 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3bjx h VAL 106 Cb 0.62 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3bjx h VAL 106 CO -0.32 0.53 0.24 -0.07 0.02 0.00 0.00 177.57 177.97 3bjx h LEU 107 N 0.49 0.41 -0.11 2.57 3.38 -0.14 -2.90 115.31 119.01 3bjx h LEU 107 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3bjx h LEU 107 Cb 1.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3bjx h LEU 107 CO 0.10 0.30 0.04 1.88 0.09 0.00 0.00 178.44 180.85 3bjx h TYR 108 N 0.49 0.17 -0.48 1.13 -1.99 -0.81 0.62 116.97 116.10 3bjx h TYR 108 Ca 0.14 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.95 3bjx h TYR 108 Cb -0.04 -0.05 -0.09 0.00 2.00 0.00 0.00 36.73 38.55 3bjx h TYR 108 CO -0.06 0.27 -0.14 0.00 -0.00 0.00 0.00 178.16 178.24 3bjx h ALA 109 N 0.88 0.28 -0.29 3.88 0.00 -1.51 0.23 119.26 122.73 3bjx h ALA 109 Ca 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3bjx h ALA 109 Cb 0.18 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3bjx h ALA 109 CO -0.00 -0.46 0.08 0.74 0.00 0.00 0.00 179.25 179.61 3bjx h PHE 110 N -0.02 0.48 -0.87 0.00 0.04 -1.33 0.26 116.94 115.50 3bjx h PHE 110 Ca 0.23 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 61.06 3bjx h PHE 110 Cb 0.38 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 3bjx h PHE 110 CO -0.43 0.51 0.56 -0.91 -0.60 0.00 0.00 178.31 177.44 3bjx h ASN 111 N 0.31 0.73 0.07 2.17 2.35 -0.39 -1.08 115.58 119.74 3bjx h ASN 111 Ca 0.09 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3bjx h ASN 111 Cb 0.26 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3bjx h ASN 111 CO -0.00 0.41 -0.03 0.22 -1.65 0.00 0.00 177.43 176.38 3bjx h TYR 112 N 0.79 -0.08 0.00 1.19 3.20 0.10 -3.38 116.97 118.79 3bjx h TYR 112 Ca 0.41 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.14 3bjx h TYR 112 Cb 0.51 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3bjx h TYR 112 CO -0.00 0.29 -0.92 0.78 -1.64 0.00 0.00 178.16 176.67 3bjx h GLY 113 N -0.47 0.00 0.78 1.82 0.00 -0.80 -3.39 103.07 101.01 3bjx h GLY 113 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3bjx h GLY 113 CO 0.02 0.00 -0.01 3.43 0.00 0.00 0.00 176.54 179.98 3bjx h ASN 114 N 0.00 -0.07 0.13 0.19 2.35 -1.37 0.17 115.58 116.98 3bjx h ASN 114 Ca -0.07 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3bjx h ASN 114 Cb 1.51 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.93 3bjx h ASN 114 CO 0.06 -0.01 -0.11 1.55 -1.65 0.00 0.00 177.43 177.27 3bjx h PRO 115 N 0.04 0.00 -0.14 0.81 0.13 -1.77 -0.64 132.00 130.42 3bjx h PRO 115 Ca 0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 3bjx h PRO 115 Cb 0.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 3bjx h PRO 115 CO -0.12 0.11 -0.13 0.87 -0.23 0.00 0.00 178.00 178.51 3bjx h LYS 116 N 0.00 0.33 -0.98 0.86 1.57 -1.47 -2.65 116.57 114.23 3bjx h LYS 116 Ca -0.00 -0.17 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3bjx h LYS 116 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 3bjx h LYS 116 CO 0.01 0.71 0.63 1.88 -0.57 0.00 0.00 179.45 182.11 3bjx h TYR 117 N -0.05 1.11 -0.37 -1.35 0.05 -0.56 -2.16 116.97 113.65 3bjx h TYR 117 Ca 0.02 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.90 3bjx h TYR 117 Cb 0.64 -0.36 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 3bjx h TYR 117 CO 0.08 0.49 0.03 1.25 -1.05 0.00 0.00 178.16 178.97 3bjx h LEU 118 N 1.01 -0.08 -0.99 3.88 5.85 -0.96 -0.74 115.31 123.29 3bjx h LEU 118 Ca 0.46 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.18 3bjx h LEU 118 Cb 0.39 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3bjx h LEU 118 CO -0.22 -0.00 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.70 3bjx h LEU 119 N 0.14 0.59 -0.11 2.25 3.38 -1.22 -1.31 115.31 119.03 3bjx h LEU 119 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3bjx h LEU 119 Cb 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bjx h LEU 119 CO -0.27 0.74 -0.03 0.25 0.09 0.00 0.00 178.44 179.21 3bjx h LEU 120 N 0.56 0.23 -1.00 1.67 5.85 -1.04 -1.26 115.31 120.31 3bjx h LEU 120 Ca 0.10 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 3bjx h LEU 120 Cb 0.52 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3bjx h LEU 120 CO 0.03 0.55 -0.27 0.40 -0.34 0.00 0.00 178.44 178.81 3bjx h ILE 121 N -0.10 1.26 -0.29 4.05 1.08 -1.06 -0.29 117.51 122.17 3bjx h ILE 121 Ca 0.03 -1.26 -0.11 0.00 -0.39 0.00 0.00 64.86 63.13 3bjx h ILE 121 Cb 0.45 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 3bjx h ILE 121 CO 0.01 0.39 -0.26 0.74 -0.69 0.00 0.00 178.15 178.35 3bjx h THR 122 N 0.35 1.30 -0.09 -0.27 2.02 -1.28 0.12 112.91 115.07 3bjx h THR 122 Ca 0.05 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.83 3bjx h THR 122 Cb 0.66 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3bjx h THR 122 CO 0.05 0.45 -0.02 0.00 0.37 0.00 0.00 175.52 176.37 3bjx h ALA 123 N 0.71 0.06 -0.57 6.16 0.00 -0.97 -0.72 119.26 123.93 3bjx h ALA 123 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3bjx h ALA 123 Cb 0.82 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3bjx h ALA 123 CO 0.07 -0.49 0.35 -0.07 0.00 0.00 0.00 179.25 179.11 3bjx h LEU 124 N 0.00 0.58 -0.25 0.00 3.38 -0.90 -2.40 115.31 115.72 3bjx h LEU 124 Ca 0.04 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3bjx h LEU 124 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3bjx h LEU 124 CO -0.09 0.41 -0.25 -1.28 0.09 0.00 0.00 178.44 177.31 3bjx h SER 125 N 0.70 0.66 -0.09 -0.43 0.87 -0.56 -3.20 113.55 111.49 3bjx h SER 125 Ca 0.23 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3bjx h SER 125 Cb 0.00 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3bjx h SER 125 CO -0.09 1.00 0.06 -0.33 -0.53 0.00 0.00 176.83 176.94 3bjx h GLU 126 N 0.32 0.13 -1.96 2.24 4.39 -1.09 -1.56 114.58 117.05 3bjx h GLU 126 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3bjx h GLU 126 Cb 0.81 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3bjx h GLU 126 CO 0.06 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 176.89 3bjx n SER 127 N -5.01 0.19 0.00 1.42 3.41 -0.91 -1.58 113.62 111.14 3bjx n SER 127 Ca -0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 3bjx n SER 127 Cb 0.04 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3bjx n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bjx n GLN 129 N 1.24 0.00 0.00 4.33 6.02 -0.59 -2.92 117.38 125.46 3bjx n GLN 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bjx n GLN 129 Cb 0.03 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.29 3bjx n GLN 129 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3bjx n ARG 131 N 0.00 0.00 -2.27 -1.09 1.74 -0.61 -5.05 116.66 109.37 3bjx n ARG 131 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3bjx n ARG 131 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3bjx n ARG 131 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3bjx s PRO 132 N -2.63 4.46 -0.04 5.56 0.02 -1.26 -4.93 135.00 136.17 3bjx s PRO 132 Ca 0.00 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.08 3bjx s PRO 132 Cb 0.00 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3bjx s PRO 132 CO 0.00 -0.09 -0.18 0.08 -0.33 0.00 0.00 177.00 176.47 3bjx s VAL 133 N -0.60 1.50 0.00 3.83 1.01 -1.26 -4.58 120.40 120.29 3bjx s VAL 133 Ca 0.51 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3bjx s VAL 133 Cb -0.36 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3bjx s VAL 133 CO 0.43 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3bjx n GLY 134 N 3.02 0.95 2.18 4.51 0.00 0.12 -4.46 105.19 111.51 3bjx n GLY 134 Ca -0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 3bjx n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjx n GLY 135 N 0.00 0.83 3.93 -0.02 0.00 0.71 -4.76 105.19 105.88 3bjx n GLY 135 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3bjx n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjx s ALA 136 N -2.21 3.60 -0.31 4.61 0.00 -0.85 -4.85 121.76 121.75 3bjx s ALA 136 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 3bjx s ALA 136 Cb 0.00 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.83 3bjx s ALA 136 CO 0.00 -0.32 0.92 -1.21 0.00 0.00 0.00 175.76 175.15 3bjx s GLU 137 N -4.58 4.02 0.05 0.00 2.02 -1.26 -4.50 118.70 114.45 3bjx s GLU 137 Ca 0.46 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.29 3bjx s GLU 137 Cb -0.10 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 3bjx s GLU 137 CO 0.40 -0.76 -0.04 0.14 0.02 0.00 0.00 175.26 175.01 3bjx s VAL 138 N 3.25 0.33 0.94 2.63 -7.23 -1.26 -5.05 120.40 114.01 3bjx s VAL 138 Ca 0.38 -1.51 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 3bjx s VAL 138 Cb -0.13 -1.11 0.16 0.00 0.56 0.00 0.00 36.38 35.85 3bjx s VAL 138 CO 0.13 -0.76 1.10 -0.94 -0.31 0.00 0.00 175.10 174.31 3bjx s SER 139 N -2.39 2.90 0.22 4.85 1.04 -1.26 -4.84 113.70 114.23 3bjx s SER 139 Ca -0.00 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 3bjx s SER 139 Cb 0.00 -2.40 0.18 0.00 0.10 0.00 0.00 66.02 63.91 3bjx s SER 139 CO -0.05 -3.05 1.82 0.28 0.98 0.00 0.00 173.24 173.22 3bjx h SER 140 N -1.83 1.10 -0.01 7.02 0.02 -2.01 -1.62 113.55 116.23 3bjx h SER 140 Ca -0.49 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.34 3bjx h SER 140 Cb 1.28 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3bjx h SER 140 CO 0.48 0.93 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.72 3bjx h GLU 141 N 1.20 -0.08 0.00 3.45 3.07 -1.97 -2.52 114.58 117.73 3bjx h GLU 141 Ca 0.29 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 3bjx h GLU 141 Cb 0.11 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3bjx h GLU 141 CO -0.04 -0.05 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.37 3bjx h LEU 142 N -0.08 0.00 0.00 1.33 3.38 -1.92 -2.90 115.31 115.12 3bjx h LEU 142 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bjx h LEU 142 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3bjx h LEU 142 CO -0.05 0.08 -0.21 -0.09 0.09 0.00 0.00 178.44 178.26 3bjx h ARG 143 N 0.00 0.00 -7.14 1.13 2.43 -1.16 0.16 114.38 109.79 3bjx h ARG 143 Ca -0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3bjx h ARG 143 Cb 0.84 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.52 3bjx h ARG 143 CO 0.01 0.00 0.43 0.00 -1.51 0.00 0.00 179.97 178.90 3bjx s ALA 144 N -3.13 2.38 0.46 2.80 0.00 -0.96 -4.70 121.76 118.61 3bjx s ALA 144 Ca 0.09 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 3bjx s ALA 144 Cb 0.12 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3bjx s ALA 144 CO 0.64 -1.43 0.81 -1.12 0.00 0.00 0.00 175.76 174.67 3bjx s SER 145 N -1.93 6.40 0.27 0.00 0.01 -1.26 -0.55 113.70 116.63 3bjx s SER 145 Ca 0.74 1.11 0.01 0.00 1.31 0.00 0.00 55.95 59.12 3bjx s SER 145 Cb -0.28 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3bjx s SER 145 CO 0.39 -0.52 0.44 0.27 0.41 0.00 0.00 173.24 174.22 3bjx s ILE 146 N -2.61 5.18 0.27 1.44 -4.36 0.15 -4.78 121.20 116.49 3bjx s ILE 146 Ca 0.50 -0.56 -0.30 0.00 -0.26 0.00 0.00 60.65 60.03 3bjx s ILE 146 Cb -0.10 -3.81 -0.11 0.00 1.25 0.00 0.00 42.46 39.68 3bjx s ILE 146 CO 0.39 -0.36 1.59 -2.84 0.24 0.00 0.00 174.94 173.96 3bjx s PRO 147 N -3.86 4.15 0.43 0.37 0.02 -1.26 -4.99 135.00 129.85 3bjx s PRO 147 Ca 0.38 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.77 3bjx s PRO 147 Cb -0.10 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 3bjx s PRO 147 CO 0.32 -0.62 0.87 0.21 -0.33 0.00 0.00 177.00 177.45 3bjx s LYS 148 N -0.15 3.98 0.00 5.54 2.20 -1.26 -4.96 119.74 125.09 3bjx s LYS 148 Ca 0.65 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 3bjx s LYS 148 Cb -0.47 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 3bjx s LYS 148 CO 0.44 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 3bjx n GLY 149 N -1.05 2.18 3.73 5.54 0.00 -0.08 -5.03 105.19 110.49 3bjx n GLY 149 Ca 0.05 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3bjx n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bjx s HIS 150 N -2.77 3.76 0.33 1.61 3.76 -1.26 -4.65 115.29 116.07 3bjx s HIS 150 Ca 0.00 1.64 -0.05 0.00 -0.15 0.00 0.00 55.06 56.49 3bjx s HIS 150 Cb 0.00 -2.96 0.08 0.00 1.11 0.00 0.00 32.58 30.82 3bjx s HIS 150 CO 0.00 0.21 0.18 -0.35 -0.85 0.00 0.00 174.74 173.93 3bjx n PRO 151 N 2.93 -2.04 0.25 8.40 -0.04 -1.26 -5.01 135.00 138.23 3bjx n PRO 151 Ca 0.01 -0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.03 3bjx n PRO 151 Cb 0.50 -0.44 -0.07 0.00 -0.04 0.00 0.00 33.50 33.45 3bjx n PRO 151 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3bjx h LYS 152 N 0.00 -0.66 -3.34 0.54 1.57 -1.99 -3.46 116.57 109.23 3bjx h LYS 152 Ca -0.08 0.04 -0.78 0.00 -1.87 0.00 0.00 60.65 57.96 3bjx h LYS 152 Cb 0.28 0.15 -0.22 0.00 0.08 0.00 0.00 32.23 32.52 3bjx h LYS 152 CO 0.05 -0.37 1.32 0.41 -0.57 0.00 0.00 179.45 180.29 3bjx n GLY 153 N -0.26 4.80 3.48 3.86 0.00 -1.26 -5.15 105.19 110.67 3bjx n GLY 153 Ca -0.10 -2.38 -0.25 0.00 0.00 0.00 0.00 46.02 43.30 3bjx n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bjx s ASP 155 N -0.12 3.70 0.54 1.61 1.01 -1.26 -4.99 116.67 117.15 3bjx s ASP 155 Ca 0.35 -0.92 0.32 0.00 0.71 0.00 0.00 52.55 53.01 3bjx s ASP 155 Cb 0.05 -0.37 1.29 0.00 1.01 0.00 0.00 42.92 44.90 3bjx s ASP 155 CO 0.04 0.06 1.96 1.55 0.21 0.00 0.00 175.17 178.99 3bjx h PRO 156 N 2.48 0.00 -2.12 8.23 0.13 -1.95 -3.39 132.00 135.39 3bjx h PRO 156 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 3bjx h PRO 156 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 3bjx h PRO 156 CO 0.57 0.03 -0.01 -1.17 -0.23 0.00 0.00 178.00 177.18 3bjx s LEU 157 N -6.27 -0.74 0.00 1.56 2.96 -1.26 -4.34 118.68 110.59 3bjx s LEU 157 Ca 0.01 1.39 -0.10 0.00 -0.22 0.00 0.00 54.13 55.21 3bjx s LEU 157 Cb 0.09 2.22 -0.05 0.00 0.50 0.00 0.00 46.19 48.95 3bjx s LEU 157 CO 0.56 -0.23 0.33 -0.76 -1.32 0.00 0.00 176.35 174.92 3bjx s LEU 158 N 1.31 4.41 -0.30 -0.68 1.43 0.23 -5.03 118.68 120.06 3bjx s LEU 158 Ca -0.08 0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 53.48 3bjx s LEU 158 Cb -0.05 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3bjx s LEU 158 CO -0.14 0.29 1.31 -2.16 0.23 0.00 0.00 176.35 175.87 3bjx s PRO 159 N -1.43 3.92 -0.16 1.29 0.04 -1.26 -4.96 135.00 132.44 3bjx s PRO 159 Ca 0.25 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 3bjx s PRO 159 Cb -0.14 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 3bjx s PRO 159 CO 0.13 -1.11 -0.01 -0.51 0.04 0.00 0.00 177.00 175.54 3bjx s LEU 160 N 4.37 3.40 0.02 -3.56 1.43 -1.26 -4.31 118.68 118.76 3bjx s LEU 160 Ca 0.56 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 3bjx s LEU 160 Cb -0.17 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3bjx s LEU 160 CO 0.23 0.18 1.37 -0.69 0.23 0.00 0.00 176.35 177.68 3bjx s VAL 161 N 0.28 3.70 -0.24 -1.59 1.01 -0.38 -4.95 120.40 118.23 3bjx s VAL 161 Ca -0.02 1.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 3bjx s VAL 161 Cb -0.14 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3bjx s VAL 161 CO 0.02 0.02 0.92 -0.62 0.00 0.00 0.00 175.10 175.44 3bjx s ASP 162 N 1.68 6.94 0.40 3.32 2.15 -1.26 -4.80 116.67 125.09 3bjx s ASP 162 Ca 0.63 1.16 0.20 0.00 0.43 0.00 0.00 52.55 54.97 3bjx s ASP 162 Cb -0.32 -2.48 0.76 0.00 -0.30 0.00 0.00 42.92 40.59 3bjx s ASP 162 CO 0.27 -0.59 1.77 0.00 -0.17 0.00 0.00 175.17 176.45 3bjx h ALA 163 N 7.62 1.02 -0.22 3.66 0.00 -1.94 -2.94 119.26 126.47 3bjx h ALA 163 Ca -0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3bjx h ALA 163 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3bjx h ALA 163 CO 0.92 0.41 0.05 1.79 0.00 0.00 0.00 179.25 182.42 3bjx h THR 164 N 0.00 1.11 -0.02 0.00 1.35 -1.92 -2.70 112.91 110.73 3bjx h THR 164 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3bjx h THR 164 Cb 0.83 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3bjx h THR 164 CO 0.04 0.14 -0.21 0.29 -0.25 0.00 0.00 175.52 175.53 3bjx n LYS 165 N -4.41 1.49 -2.25 4.72 5.02 -1.12 -5.03 118.16 116.59 3bjx n LYS 165 Ca 0.00 -1.10 -0.31 0.00 -2.02 0.00 0.00 58.31 54.88 3bjx n LYS 165 Cb 0.15 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3bjx n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bjx s ALA 166 N -2.27 3.13 0.99 7.82 0.00 -1.02 -5.05 121.76 125.36 3bjx s ALA 166 Ca 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 3bjx s ALA 166 Cb 0.19 -3.03 0.19 0.00 0.00 0.00 0.00 23.12 20.48 3bjx s ALA 166 CO 0.44 -0.40 1.11 -1.54 0.00 0.00 0.00 175.76 175.37 3bjx s SER 167 N -3.60 2.34 0.25 0.00 1.04 -1.26 -4.72 113.70 107.75 3bjx s SER 167 Ca 0.56 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.93 3bjx s SER 167 Cb -0.10 -2.49 0.49 0.00 0.10 0.00 0.00 66.02 64.02 3bjx s SER 167 CO 0.41 -3.43 1.68 0.74 0.98 0.00 0.00 173.24 173.62 3bjx h THR 168 N -2.09 0.47 0.38 2.02 2.02 -1.98 -0.64 112.91 113.08 3bjx h THR 168 Ca -0.49 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3bjx h THR 168 Cb 1.29 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3bjx h THR 168 CO 0.44 0.04 -0.50 -0.08 0.37 0.00 0.00 175.52 175.80 3bjx h GLU 169 N 0.25 -0.87 -0.28 6.66 4.81 -1.99 0.03 114.58 123.19 3bjx h GLU 169 Ca 0.43 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 3bjx h GLU 169 Cb 0.76 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3bjx h GLU 169 CO -0.55 -0.58 0.06 0.28 -0.73 0.00 0.00 179.01 177.49 3bjx h VAL 170 N -0.91 1.22 -0.79 0.32 2.07 -1.86 -1.11 116.25 115.19 3bjx h VAL 170 Ca -0.05 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.85 3bjx h VAL 170 Cb 0.82 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3bjx h VAL 170 CO -0.12 0.24 0.40 1.56 0.02 0.00 0.00 177.57 179.67 3bjx h GLN 171 N 0.27 0.60 -0.34 1.57 4.20 -1.13 -0.37 115.11 119.91 3bjx h GLN 171 Ca 0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3bjx h GLN 171 Cb 0.31 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3bjx h GLN 171 CO 0.00 0.40 0.12 0.78 -0.67 0.00 0.00 178.83 179.46 3bjx h GLY 172 N 0.62 0.57 1.02 3.46 0.00 -0.22 -0.53 103.07 107.99 3bjx h GLY 172 Ca 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3bjx h GLY 172 CO -0.32 0.31 0.33 1.41 0.00 0.00 0.00 176.54 178.27 3bjx h LEU 173 N 0.41 0.98 -0.11 3.11 3.38 -0.90 0.93 115.31 123.10 3bjx h LEU 173 Ca 0.11 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3bjx h LEU 173 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3bjx h LEU 173 CO -0.00 0.85 -0.30 -0.07 0.09 0.00 0.00 178.44 179.01 3bjx h LEU 174 N 1.04 0.46 -0.79 1.67 3.38 -1.03 -1.16 115.31 118.87 3bjx h LEU 174 Ca 0.25 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3bjx h LEU 174 Cb 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3bjx h LEU 174 CO -0.03 0.97 0.51 0.50 0.09 0.00 0.00 178.44 180.48 3bjx h LYS 175 N -0.03 1.00 -0.09 1.13 1.63 -1.08 -2.01 116.57 117.12 3bjx h LYS 175 Ca -0.01 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3bjx h LYS 175 Cb 0.91 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3bjx h LYS 175 CO 0.06 0.66 0.05 -0.09 -3.45 0.00 0.00 179.45 176.68 3bjx h ARG 176 N 1.03 0.12 -0.08 1.90 2.43 -0.77 -1.17 114.38 117.84 3bjx h ARG 176 Ca 0.30 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3bjx h ARG 176 Cb -0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3bjx h ARG 176 CO -0.09 0.13 -0.36 -0.24 -1.51 0.00 0.00 179.97 177.91 3bjx h VAL 177 N 0.07 1.28 -0.02 0.20 3.04 -1.14 -0.35 116.25 119.33 3bjx h VAL 177 Ca 0.03 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.37 3bjx h VAL 177 Cb 0.04 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3bjx h VAL 177 CO -0.01 0.40 -0.02 0.00 -1.01 0.00 0.00 177.57 176.93 3bjx h ALA 178 N 1.50 0.03 -0.79 3.17 0.00 -1.26 -3.23 119.26 118.68 3bjx h ALA 178 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3bjx h ALA 178 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3bjx h ALA 178 CO 0.05 -0.22 0.52 -0.44 0.00 0.00 0.00 179.25 179.16 3bjx h ASP 179 N -0.41 0.88 -0.85 0.00 3.32 -1.17 0.15 116.42 118.34 3bjx h ASP 179 Ca 0.00 -0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.19 3bjx h ASP 179 Cb 0.49 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 3bjx h ASP 179 CO 0.00 0.62 0.55 0.25 -1.72 0.00 0.00 179.24 178.95 3bjx h LEU 180 N 1.03 0.52 -0.49 1.55 5.85 -1.09 -1.55 115.31 121.13 3bjx h LEU 180 Ca 0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 3bjx h LEU 180 Cb -0.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3bjx h LEU 180 CO -0.08 0.26 -0.31 1.41 -0.34 0.00 0.00 178.44 179.38 3bjx n HIS 181 N -4.53 0.00 -3.75 1.25 8.25 -0.75 -4.68 115.22 111.01 3bjx n HIS 181 Ca 0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.40 3bjx n HIS 181 Cb 0.53 -0.12 0.02 0.00 1.12 0.00 0.00 29.99 31.54 3bjx n HIS 181 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3bjx n TYR 182 N -0.68 -1.85 -3.83 4.41 4.01 -0.59 -4.94 117.16 113.68 3bjx n TYR 182 Ca 0.11 0.78 -0.21 0.00 -0.16 0.00 0.00 57.90 58.42 3bjx n TYR 182 Cb 0.36 -4.13 -0.02 0.00 -0.31 0.00 0.00 39.34 35.24 3bjx n TYR 182 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3bjx s HIS 183 N -3.73 3.39 -1.36 -0.72 3.76 0.45 -5.00 115.29 112.08 3bjx s HIS 183 Ca 0.05 -0.03 0.30 0.00 -0.15 0.00 0.00 55.06 55.23 3bjx s HIS 183 Cb -0.02 -1.67 1.38 0.00 1.11 0.00 0.00 32.58 33.38 3bjx s HIS 183 CO 0.84 0.33 1.97 -2.39 -0.85 0.00 0.00 174.74 174.64 3bjx n HIS 184 N -1.48 0.00 0.00 1.40 1.44 -1.26 -4.41 115.22 110.91 3bjx n HIS 184 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3bjx n HIS 184 Cb 0.57 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.37 3bjx n HIS 184 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3bjx n GLY 185 N 1.34 1.03 3.79 -1.39 0.00 -1.26 -4.85 105.19 103.84 3bjx n GLY 185 Ca 0.13 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3bjx n GLY 185 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bjx s PRO 186 N -2.00 4.05 0.62 1.61 0.04 -1.26 -4.79 135.00 133.28 3bjx s PRO 186 Ca 0.00 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 3bjx s PRO 186 Cb 0.00 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3bjx s PRO 186 CO 0.00 -0.22 1.09 0.00 0.04 0.00 0.00 177.00 177.92 3bjx s ALA 187 N -1.84 2.59 0.35 8.56 0.00 -1.26 -4.89 121.76 125.27 3bjx s ALA 187 Ca 0.62 0.54 0.11 0.00 0.00 0.00 0.00 51.96 53.22 3bjx s ALA 187 Cb -0.18 -3.29 0.88 0.00 0.00 0.00 0.00 23.12 20.53 3bjx s ALA 187 CO 0.23 -1.04 1.80 0.77 0.00 0.00 0.00 175.76 177.52 3bjx h SER 188 N 0.35 0.63 -0.87 0.00 0.02 -1.98 -1.49 113.55 110.21 3bjx h SER 188 Ca -0.47 0.08 0.23 0.00 -0.84 0.00 0.00 61.79 60.78 3bjx h SER 188 Cb 1.24 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 3bjx h SER 188 CO 0.56 0.23 0.26 0.44 -1.14 0.00 0.00 176.83 177.17 3bjx h ASP 189 N 0.62 0.05 0.69 3.07 5.19 -1.99 0.18 116.42 124.22 3bjx h ASP 189 Ca 0.55 0.19 -0.26 0.00 -0.62 0.00 0.00 57.03 56.88 3bjx h ASP 189 Cb 1.04 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 3bjx h ASP 189 CO -0.30 -0.13 -1.27 -0.26 -3.12 0.00 0.00 179.24 174.15 3bjx h PHE 190 N 0.24 0.30 -0.97 4.55 0.04 -1.67 -2.09 116.94 117.34 3bjx h PHE 190 Ca 0.55 -0.22 0.06 0.00 2.80 0.00 0.00 57.97 61.15 3bjx h PHE 190 Cb 1.09 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.17 3bjx h PHE 190 CO -0.24 1.20 0.63 1.96 -0.60 0.00 0.00 178.31 181.26 3bjx h GLN 191 N 0.05 1.12 -0.21 1.51 4.20 -0.42 -0.56 115.11 120.79 3bjx h GLN 191 Ca -0.13 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 3bjx h GLN 191 Cb 1.93 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.45 3bjx h GLN 191 CO 0.16 0.74 -0.37 0.00 -0.67 0.00 0.00 178.83 178.69 3bjx h ALA 192 N 1.46 0.33 0.00 3.87 0.00 -0.72 -1.00 119.26 123.20 3bjx h ALA 192 Ca 0.41 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3bjx h ALA 192 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3bjx h ALA 192 CO -0.15 0.41 -0.22 -0.07 0.00 0.00 0.00 179.25 179.22 3bjx h LEU 193 N 0.31 0.00 -0.15 0.00 3.38 -1.21 -2.74 115.31 114.90 3bjx h LEU 193 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bjx h LEU 193 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3bjx h LEU 193 CO 0.08 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3bjx n ALA 194 N -2.27 1.23 0.21 1.53 0.00 -0.23 -2.08 120.51 118.89 3bjx n ALA 194 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3bjx n ALA 194 Cb 0.36 -1.11 0.44 0.00 0.00 0.00 0.00 19.45 19.14 3bjx n ALA 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bjx h ASN 195 N 0.00 0.00 -4.14 0.00 4.21 -1.64 -3.22 115.58 110.79 3bjx h ASN 195 Ca 0.00 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.83 3bjx h ASN 195 Cb 0.09 0.00 -0.37 0.00 -1.12 0.00 0.00 38.32 36.92 3bjx h ASN 195 CO 0.00 0.27 -0.40 0.26 -1.29 0.00 0.00 177.43 176.27 3bjx s TRP 196 N -4.40 3.39 0.45 1.19 0.51 -0.88 -4.99 118.94 114.20 3bjx s TRP 196 Ca -0.03 -2.86 0.22 0.00 -2.12 0.00 0.00 56.10 51.30 3bjx s TRP 196 Cb 0.15 -3.11 1.21 0.00 -0.81 0.00 0.00 33.47 30.91 3bjx s TRP 196 CO 0.71 -0.80 1.85 -1.35 -0.51 0.00 0.00 176.95 176.85 3bjx h PRO 197 N 6.77 0.28 -0.84 4.98 0.11 -1.73 -0.46 132.00 141.11 3bjx h PRO 197 Ca -0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3bjx h PRO 197 Cb 0.92 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 3bjx h PRO 197 CO 0.72 0.18 0.55 -0.22 -0.21 0.00 0.00 178.00 179.02 3bjx h LYS 198 N 0.28 1.12 -0.40 1.05 1.63 -1.92 -2.33 116.57 115.99 3bjx h LYS 198 Ca 0.47 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.18 3bjx h LYS 198 Cb 1.38 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 3bjx h LYS 198 CO -0.14 0.75 0.15 0.28 -3.45 0.00 0.00 179.45 177.03 3bjx h VAL 199 N 1.15 1.20 -0.94 2.00 2.07 -1.37 -2.19 116.25 118.17 3bjx h VAL 199 Ca 0.31 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3bjx h VAL 199 Cb -0.12 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3bjx h VAL 199 CO -0.07 0.23 0.61 0.25 0.02 0.00 0.00 177.57 178.62 3bjx h LEU 200 N 0.50 1.01 -0.29 2.57 5.85 -1.32 -1.67 115.31 121.96 3bjx h LEU 200 Ca 0.13 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 3bjx h LEU 200 Cb 0.22 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3bjx h LEU 200 CO -0.01 0.69 -0.46 -0.61 -0.34 0.00 0.00 178.44 177.71 3bjx h GLN 201 N 1.18 0.83 -0.13 1.25 4.15 -1.24 -1.65 115.11 119.50 3bjx h GLN 201 Ca 0.38 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3bjx h GLN 201 Cb 0.02 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3bjx h GLN 201 CO -0.13 1.14 0.03 0.82 -1.93 0.00 0.00 178.83 178.76 3bjx h ILE 202 N 0.61 1.21 -0.13 2.39 2.04 -1.14 0.53 117.51 123.01 3bjx h ILE 202 Ca 0.03 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 3bjx h ILE 202 Cb 1.07 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3bjx h ILE 202 CO 0.11 0.19 -0.39 -0.37 0.00 0.00 0.00 178.15 177.68 3bjx h VAL 203 N -0.00 1.30 0.47 1.67 -1.51 -1.29 0.30 116.25 117.18 3bjx h VAL 203 Ca 0.04 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.00 3bjx h VAL 203 Cb 0.27 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3bjx h VAL 203 CO 0.00 0.45 -0.22 0.74 -1.23 0.00 0.00 177.57 177.31 3bjx h THR 204 N 0.24 0.22 -0.05 7.19 2.02 -1.25 -0.08 112.91 121.20 3bjx h THR 204 Ca 0.02 -0.56 -0.20 0.00 0.77 0.00 0.00 66.41 66.44 3bjx h THR 204 Cb 0.80 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3bjx h THR 204 CO 0.06 0.04 -0.82 0.44 0.37 0.00 0.00 175.52 175.62 3bjx h ASP 205 N -1.08 0.53 0.00 4.18 3.32 -0.76 -1.15 116.42 121.45 3bjx h ASP 205 Ca -0.06 -0.38 -0.29 0.00 0.02 0.00 0.00 57.03 56.32 3bjx h ASP 205 Cb 0.55 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3bjx h ASP 205 CO 0.10 1.15 -2.09 -0.62 -1.72 0.00 0.00 179.24 176.06 3bjx n GLU 206 N -3.80 0.48 -0.07 3.56 1.02 0.10 -4.39 120.64 117.53 3bjx n GLU 206 Ca -0.05 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 3bjx n GLU 206 Cb 0.76 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 3bjx n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bjx h VAL 207 N -0.04 1.10 0.00 2.62 2.07 -1.30 -3.42 116.25 117.28 3bjx h VAL 207 Ca -0.43 -1.93 -0.31 0.00 0.82 0.00 0.00 66.70 64.84 3bjx h VAL 207 Cb 1.65 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 33.55 3bjx h VAL 207 CO -0.08 0.37 -1.94 0.18 0.02 0.00 0.00 177.57 176.12 3bjx n LEU 208 N -4.61 0.55 -0.31 2.57 4.77 -0.06 -4.23 117.00 115.69 3bjx n LEU 208 Ca -0.13 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3bjx n LEU 208 Cb 0.41 0.28 0.24 0.00 -2.33 0.00 0.00 43.42 42.02 3bjx n LEU 208 CO 0.22 0.41 1.13 0.00 -1.33 0.00 0.00 177.39 177.82 3bjx h ALA 209 N 1.03 1.34 0.00 -1.18 0.00 -1.41 0.64 119.26 119.68 3bjx h ALA 209 Ca -0.37 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bjx h ALA 209 Cb 2.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3bjx h ALA 209 CO 0.06 -0.05 0.00 -0.35 0.00 0.00 0.00 179.25 178.91 3bjx n PRO 210 N -4.83 0.02 -0.05 0.00 -0.04 -1.26 -4.48 135.00 124.36 3bjx n PRO 210 Ca 0.18 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 3bjx n PRO 210 Cb 0.44 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 3bjx n PRO 210 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3bjx n VAL 211 N -1.56 0.61 -1.82 0.52 0.24 -0.35 -4.92 118.33 111.06 3bjx n VAL 211 Ca 0.07 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 3bjx n VAL 211 Cb 0.34 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 3bjx n VAL 211 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bjx s ALA 212 N -2.21 3.47 -1.78 2.33 0.00 0.21 -2.26 121.76 121.52 3bjx s ALA 212 Ca -0.13 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3bjx s ALA 212 Cb 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3bjx s ALA 212 CO 0.26 -1.08 0.00 0.54 0.00 0.00 0.00 175.76 175.48 3bjx n ARG 213 N 0.27 -1.53 -1.76 0.00 5.12 -1.26 -4.94 116.66 112.55 3bjx n ARG 213 Ca 0.02 1.07 -0.30 0.00 -1.93 0.00 0.00 57.85 56.71 3bjx n ARG 213 Cb 0.40 -5.44 0.19 0.00 -1.16 0.00 0.00 32.46 26.45 3bjx n ARG 213 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bjx s THR 214 N -2.41 1.92 0.14 0.55 -4.23 -0.96 -4.86 115.64 105.80 3bjx s THR 214 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 3bjx s THR 214 Cb 0.00 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.95 3bjx s THR 214 CO 0.00 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.46 3bjx h GLU 215 N -1.80 0.64 0.36 3.99 5.08 -1.95 -1.81 114.58 119.10 3bjx h GLU 215 Ca -0.45 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 3bjx h GLU 215 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3bjx h GLU 215 CO 0.39 0.57 -0.17 0.37 -1.00 0.00 0.00 179.01 179.16 3bjx h GLN 216 N 0.56 -0.47 -0.82 2.33 4.15 -1.94 -0.84 115.11 118.09 3bjx h GLN 216 Ca 0.15 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.77 3bjx h GLN 216 Cb 0.15 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 27.79 3bjx h GLN 216 CO -0.02 -0.23 -0.18 -0.92 -1.93 0.00 0.00 178.83 175.55 3bjx h TYR 217 N -0.63 -0.40 -0.18 3.99 3.20 -1.79 -0.55 116.97 120.62 3bjx h TYR 217 Ca -0.05 0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 3bjx h TYR 217 Cb 0.45 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3bjx h TYR 217 CO -0.02 -0.35 -0.58 -0.44 -1.64 0.00 0.00 178.16 175.14 3bjx h ASP 218 N 0.01 0.64 -0.80 -2.11 3.32 -1.16 -0.42 116.42 115.90 3bjx h ASP 218 Ca 0.40 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3bjx h ASP 218 Cb 0.62 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3bjx h ASP 218 CO -0.83 1.08 0.38 0.00 -1.72 0.00 0.00 179.24 178.14 3bjx h ALA 219 N 0.93 1.14 -0.36 3.45 0.00 -0.78 -1.32 119.26 122.32 3bjx h ALA 219 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3bjx h ALA 219 Cb 1.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3bjx h ALA 219 CO 0.11 0.64 -0.01 -0.22 0.00 0.00 0.00 179.25 179.78 3bjx h LYS 220 N 1.15 0.65 -0.42 0.00 1.63 -0.76 -1.08 116.57 117.75 3bjx h LYS 220 Ca 0.28 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3bjx h LYS 220 Cb 0.13 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3bjx h LYS 220 CO -0.03 0.76 0.25 1.03 -3.45 0.00 0.00 179.45 178.01 3bjx h SER 221 N 0.46 0.50 -0.69 4.20 0.87 -0.90 -2.10 113.55 115.89 3bjx h SER 221 Ca 0.10 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3bjx h SER 221 Cb 0.47 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3bjx h SER 221 CO 0.02 0.41 0.43 0.03 -0.53 0.00 0.00 176.83 177.19 3bjx h ARG 222 N 0.55 0.83 -0.80 2.24 3.08 -1.13 0.09 114.38 119.24 3bjx h ARG 222 Ca 0.15 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.26 3bjx h ARG 222 Cb -0.00 -0.19 -0.08 0.00 0.08 0.00 0.00 29.97 29.78 3bjx h ARG 222 CO -0.03 0.55 0.43 1.49 -1.07 0.00 0.00 179.97 181.34 3bjx h GLU 223 N 0.85 0.68 0.01 0.04 4.81 -0.95 -0.06 114.58 119.96 3bjx h GLU 223 Ca 0.28 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 3bjx h GLU 223 Cb 0.01 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3bjx h GLU 223 CO -0.11 0.45 -0.97 -0.07 -0.73 0.00 0.00 179.01 177.58 3bjx h LEU 224 N 0.70 0.54 0.18 1.64 3.38 -0.66 -1.78 115.31 119.31 3bjx h LEU 224 Ca 0.40 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bjx h LEU 224 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3bjx h LEU 224 CO -0.28 1.25 -0.09 0.58 0.09 0.00 0.00 178.44 179.99 3bjx h VAL 225 N 0.22 0.87 -0.51 1.22 2.07 -0.69 -1.89 116.25 117.54 3bjx h VAL 225 Ca -0.09 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3bjx h VAL 225 Cb 1.62 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3bjx h VAL 225 CO 0.17 0.06 0.24 0.74 0.02 0.00 0.00 177.57 178.80 3bjx h THR 226 N -0.36 0.93 -0.15 2.57 2.02 -1.11 -2.60 112.91 114.22 3bjx h THR 226 Ca -0.02 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 3bjx h THR 226 Cb 0.28 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3bjx h THR 226 CO 0.04 0.09 -0.29 -0.09 0.37 0.00 0.00 175.52 175.64 3bjx h ARG 227 N 0.47 0.45 -1.00 6.66 9.65 -1.34 -2.70 114.38 126.57 3bjx h ARG 227 Ca 0.23 -0.29 0.19 0.00 -1.10 0.00 0.00 59.98 59.01 3bjx h ARG 227 Cb 0.16 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 28.68 3bjx h ARG 227 CO -0.18 0.90 0.61 0.00 2.80 0.00 0.00 179.97 184.10 3bjx h ALA 228 N 0.55 1.71 0.03 2.80 0.00 -1.36 0.29 119.26 123.28 3bjx h ALA 228 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bjx h ALA 228 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3bjx h ALA 228 CO 0.06 -0.09 -0.02 -0.09 0.00 0.00 0.00 179.25 179.12 3bjx h ARG 229 N 0.74 -0.04 -0.72 0.00 2.43 -1.28 -0.76 114.38 114.74 3bjx h ARG 229 Ca 0.58 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.82 3bjx h ARG 229 Cb 0.94 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 3bjx h ARG 229 CO -0.37 0.09 0.40 0.93 -1.51 0.00 0.00 179.97 179.51 3bjx h GLU 230 N -0.17 0.70 -0.70 0.20 5.08 -1.04 -2.46 114.58 116.20 3bjx h GLU 230 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3bjx h GLU 230 Cb 0.15 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3bjx h GLU 230 CO 0.01 0.47 0.17 -0.07 -1.00 0.00 0.00 179.01 178.58 3bjx h LEU 231 N 0.73 1.05 -1.15 1.33 3.38 -0.11 -2.64 115.31 117.88 3bjx h LEU 231 Ca 0.33 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3bjx h LEU 231 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bjx h LEU 231 CO -0.20 1.00 -0.25 -0.37 0.09 0.00 0.00 178.44 178.71 3bjx h VAL 232 N 1.05 0.64 -0.27 1.22 -1.51 -0.99 -2.50 116.25 113.89 3bjx h VAL 232 Ca 0.22 -1.15 -0.06 0.00 -1.23 0.00 0.00 66.70 64.48 3bjx h VAL 232 Cb 0.36 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 3bjx h VAL 232 CO 0.00 0.24 -0.08 -0.09 -1.23 0.00 0.00 177.57 176.42 3bjx h ARG 233 N 0.00 0.43 -0.33 5.19 2.43 -1.08 0.39 114.38 121.40 3bjx h ARG 233 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3bjx h ARG 233 Cb 0.74 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3bjx h ARG 233 CO 0.03 0.52 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 3bjx n GLY 234 N -0.80 0.95 3.66 2.80 0.00 -0.95 -3.54 105.19 107.32 3bjx n GLY 234 Ca 0.01 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3bjx n GLY 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjx n LEU 235 N 0.80 4.76 -4.78 0.99 4.77 -1.16 -4.66 117.00 117.72 3bjx n LEU 235 Ca 0.17 0.80 -0.37 0.00 -0.03 0.00 0.00 56.01 56.58 3bjx n LEU 235 Cb 0.42 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3bjx n LEU 235 CO 0.13 -1.50 0.58 -2.16 -1.33 0.00 0.00 177.39 173.10 3bjx s PRO 236 N -3.07 4.54 2.49 3.23 0.04 -1.26 -2.01 135.00 138.96 3bjx s PRO 236 Ca 0.79 1.22 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3bjx s PRO 236 Cb -0.39 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3bjx s PRO 236 CO 0.44 0.37 0.00 0.41 0.04 0.00 0.00 177.00 178.25 3bjx n GLY 237 N 0.81 -0.40 3.80 0.56 0.00 -1.26 -4.61 105.19 104.10 3bjx n GLY 237 Ca -0.00 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 3bjx n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjx s SER 238 N -4.00 5.73 0.04 1.61 1.04 -1.26 0.25 113.70 117.12 3bjx s SER 238 Ca 0.00 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 3bjx s SER 238 Cb 0.00 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.48 3bjx s SER 238 CO 0.00 0.23 0.13 0.00 0.98 0.00 0.00 173.24 174.58 3bjx s ALA 239 N -1.29 -0.17 0.11 5.32 0.00 -1.24 -4.60 121.76 119.87 3bjx s ALA 239 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3bjx s ALA 239 Cb -0.12 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3bjx s ALA 239 CO 0.18 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3bjx n GLY 240 N 0.73 -1.99 2.95 0.00 0.00 -1.24 -4.78 105.19 100.86 3bjx n GLY 240 Ca -0.19 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 3bjx n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjx s VAL 241 N -1.14 -0.21 0.42 1.61 0.11 -1.26 -4.79 120.40 115.14 3bjx s VAL 241 Ca 0.00 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 3bjx s VAL 241 Cb 0.00 -0.34 -0.09 0.00 -1.53 0.00 0.00 36.38 34.42 3bjx s VAL 241 CO 0.00 0.11 1.42 -1.10 -3.33 0.00 0.00 175.10 172.20 3bjx s GLN 242 N 1.86 3.89 0.45 1.54 -1.52 -1.26 -4.75 119.66 119.87 3bjx s GLN 242 Ca -0.03 2.42 0.22 0.00 -1.95 0.00 0.00 55.36 56.02 3bjx s GLN 242 Cb -0.12 -2.79 1.20 0.00 -0.22 0.00 0.00 33.01 31.09 3bjx s GLN 242 CO -0.07 -0.65 1.84 -0.09 -0.25 0.00 0.00 175.29 176.07 3bjx h ARG 243 N 2.64 0.29 0.00 2.91 2.43 -1.92 -0.42 114.38 120.30 3bjx h ARG 243 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3bjx h ARG 243 Cb 1.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3bjx h ARG 243 CO 0.62 0.19 0.00 0.66 -1.51 0.00 0.00 179.97 179.93 3bjx h SER 244 N 0.29 0.00 -0.07 -3.80 4.64 -1.90 -2.58 113.55 110.14 3bjx h SER 244 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3bjx h SER 244 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3bjx h SER 244 CO -0.16 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.18 3bjx n GLU 245 N -2.94 1.58 -3.36 4.77 1.02 -0.17 -4.96 120.64 116.58 3bjx n GLU 245 Ca -0.00 -0.86 -0.28 0.00 -0.02 0.00 0.00 57.16 56.00 3bjx n GLU 245 Cb 0.23 -1.43 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 3bjx n GLU 245 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bjx n LEU 246 N 0.05 4.03 -0.59 -4.62 4.77 -0.97 -5.03 117.00 114.64 3bjx n LEU 246 Ca 0.18 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 3bjx n LEU 246 Cb 0.30 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3bjx n LEU 246 CO 0.15 2.05 0.00 -0.24 -1.33 0.00 0.00 177.39 178.02 3bjx n SER 248 N 0.80 0.00 -0.48 -1.43 2.88 -1.26 -4.80 113.62 109.33 3bjx n SER 248 Ca 0.30 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.79 3bjx n SER 248 Cb 0.40 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3bjx n SER 248 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bjx n LEU 250 N -0.14 -0.25 -4.73 2.46 4.77 -1.26 -5.24 117.00 112.61 3bjx n LEU 250 Ca 0.00 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 3bjx n LEU 250 Cb 0.00 -0.10 0.14 0.00 -2.33 0.00 0.00 43.42 41.13 3bjx n LEU 250 CO 0.00 -0.42 0.68 0.42 -1.33 0.00 0.00 177.39 176.74 3bjx s THR 251 N -0.16 2.42 0.22 -5.08 -4.23 -1.26 -4.86 115.64 102.70 3bjx s THR 251 Ca 0.07 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 3bjx s THR 251 Cb -0.08 -2.72 0.17 0.00 1.34 0.00 0.00 72.50 71.21 3bjx s THR 251 CO 0.07 -0.18 1.76 -0.65 -0.54 0.00 0.00 174.62 175.08 3bjx h PRO 252 N -1.56 0.51 -0.49 3.99 0.11 -1.99 -1.83 132.00 130.73 3bjx h PRO 252 Ca -0.51 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3bjx h PRO 252 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3bjx h PRO 252 CO 0.58 0.34 0.05 -0.97 -0.21 0.00 0.00 178.00 177.78 3bjx h ASN 253 N 0.53 0.74 -0.24 -2.05 -0.73 -2.00 -2.24 115.58 109.59 3bjx h ASN 253 Ca 0.35 -0.16 -0.11 0.00 1.87 0.00 0.00 56.30 58.25 3bjx h ASN 253 Cb 0.41 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3bjx h ASN 253 CO -0.30 0.78 -0.23 -0.33 -0.37 0.00 0.00 177.43 176.98 3bjx h GLU 254 N 0.74 0.70 -0.45 6.67 5.08 -1.89 -1.91 114.58 123.53 3bjx h GLU 254 Ca 0.15 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3bjx h GLU 254 Cb 0.38 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3bjx h GLU 254 CO 0.01 0.87 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.69 3bjx h LEU 255 N 0.62 0.82 0.46 1.33 3.38 -1.16 0.11 115.31 120.87 3bjx h LEU 255 Ca 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3bjx h LEU 255 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bjx h LEU 255 CO 0.06 0.96 -0.22 0.00 0.09 0.00 0.00 178.44 179.32 3bjx h ALA 256 N 1.11 -0.62 -0.83 1.53 0.00 -1.27 -0.97 119.26 118.21 3bjx h ALA 256 Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3bjx h ALA 256 Cb 0.63 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3bjx h ALA 256 CO 0.04 -0.73 0.51 0.78 0.00 0.00 0.00 179.25 179.85 3bjx h GLY 257 N -0.84 1.25 0.97 0.00 0.00 -1.35 -1.87 103.07 101.23 3bjx h GLY 257 Ca -0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3bjx h GLY 257 CO 0.10 0.25 0.19 -2.00 0.00 0.00 0.00 176.54 175.08 3bjx h LEU 258 N 0.94 0.39 -0.04 3.11 5.85 -0.74 0.40 115.31 125.21 3bjx h LEU 258 Ca 0.36 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3bjx h LEU 258 Cb 0.16 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3bjx h LEU 258 CO -0.17 0.34 -0.21 0.74 -0.34 0.00 0.00 178.44 178.79 3bjx h THR 259 N 0.41 0.49 -0.77 1.05 2.02 -0.86 -1.84 112.91 113.41 3bjx h THR 259 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3bjx h THR 259 Cb 0.03 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3bjx h THR 259 CO -0.02 0.00 0.34 1.23 0.37 0.00 0.00 175.52 177.43 3bjx h GLY 260 N -0.32 1.21 0.77 2.16 0.00 -1.17 -0.41 103.07 105.31 3bjx h GLY 260 Ca 0.07 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.79 3bjx h GLY 260 CO -0.22 0.60 0.05 -2.08 0.00 0.00 0.00 176.54 174.89 3bjx h VAL 261 N 1.10 0.91 -0.13 4.60 2.07 -0.78 -3.05 116.25 120.96 3bjx h VAL 261 Ca 0.26 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3bjx h VAL 261 Cb 0.17 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3bjx h VAL 261 CO -0.03 0.03 0.08 -0.07 0.02 0.00 0.00 177.57 177.60 3bjx h LEU 262 N 0.14 0.14 -1.06 2.57 3.38 -1.11 -0.62 115.31 118.75 3bjx h LEU 262 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bjx h LEU 262 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3bjx h LEU 262 CO -0.12 0.10 0.00 0.33 0.09 0.00 0.00 178.44 178.84 3bjx n PHE 263 N -5.01 0.00 0.00 1.13 7.35 -0.18 -2.26 117.46 118.49 3bjx n PHE 263 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3bjx n PHE 263 Cb 0.03 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.86 3bjx n PHE 263 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3bjx n TYR 265 N 0.37 0.00 -0.15 -5.13 4.01 -0.24 -3.81 117.16 112.20 3bjx n TYR 265 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3bjx n TYR 265 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3bjx n TYR 265 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3bjx h GLN 266 N 0.00 0.46 0.04 -0.72 4.20 -1.73 -0.85 115.11 116.51 3bjx h GLN 266 Ca 0.00 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.48 3bjx h GLN 266 Cb 0.00 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.69 3bjx h GLN 266 CO 0.00 0.30 -0.83 0.00 -0.67 0.00 0.00 178.83 177.63 3bjx h ARG 267 N 0.47 0.49 0.00 1.46 -0.00 -1.88 -2.50 114.38 112.43 3bjx h ARG 267 Ca 0.20 -0.58 0.02 0.00 -0.50 0.00 0.00 59.98 59.12 3bjx h ARG 267 Cb 0.10 0.18 -0.06 0.00 0.00 0.00 0.00 29.97 30.19 3bjx h ARG 267 CO -0.14 1.22 -0.52 0.35 0.00 0.00 0.00 179.97 180.88 3bjx h PHE 268 N 0.02 -1.51 -0.33 3.04 3.57 -1.87 -0.73 116.94 119.13 3bjx h PHE 268 Ca -0.12 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 3bjx h PHE 268 Cb 1.55 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.93 3bjx h PHE 268 CO 0.14 -0.56 0.10 0.82 -2.23 0.00 0.00 178.31 176.58 3bjx h ILE 269 N -0.66 1.20 -0.15 1.41 2.04 -1.24 -1.43 117.51 118.69 3bjx h ILE 269 Ca 0.02 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3bjx h ILE 269 Cb 0.72 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3bjx h ILE 269 CO -0.35 0.22 -0.25 0.00 0.00 0.00 0.00 178.15 177.77 3bjx h ALA 270 N 0.94 -0.22 -0.51 1.87 0.00 -1.42 -0.95 119.26 118.97 3bjx h ALA 270 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3bjx h ALA 270 Cb 0.25 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 3bjx h ALA 270 CO -0.00 -0.70 -0.51 -0.44 0.00 0.00 0.00 179.25 177.60 3bjx h ASP 271 N -0.30 -1.72 0.16 0.00 3.32 -0.88 -2.56 116.42 114.43 3bjx h ASP 271 Ca 0.11 0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 3bjx h ASP 271 Cb 0.47 0.74 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3bjx h ASP 271 CO -0.33 -0.37 -0.18 0.40 -1.72 0.00 0.00 179.24 177.04 3bjx h ILE 272 N -0.30 1.15 0.04 0.35 1.08 -1.08 -1.04 117.51 117.70 3bjx h ILE 272 Ca 0.12 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3bjx h ILE 272 Cb 0.57 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3bjx h ILE 272 CO -0.65 0.21 -0.02 0.74 -0.69 0.00 0.00 178.15 177.74 3bjx h THR 273 N 0.06 1.03 0.02 -0.27 2.02 -0.81 -1.81 112.91 113.15 3bjx h THR 273 Ca 0.01 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3bjx h THR 273 Cb 0.36 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3bjx h THR 273 CO 0.02 0.06 -0.01 0.40 0.37 0.00 0.00 175.52 176.36 3bjx h ILE 274 N -0.15 1.00 0.08 3.11 2.04 -1.03 -1.92 117.51 120.64 3bjx h ILE 274 Ca -0.00 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3bjx h ILE 274 Cb 0.13 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3bjx h ILE 274 CO 0.01 0.02 -0.40 0.28 0.00 0.00 0.00 178.15 178.06 3bjx h SER 275 N -0.07 -1.18 0.12 1.72 0.02 -1.08 0.16 113.55 113.25 3bjx h SER 275 Ca -0.00 0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 3bjx h SER 275 Cb 0.06 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3bjx h SER 275 CO 0.01 -0.46 -0.70 0.40 -1.14 0.00 0.00 176.83 174.94 3bjx h ILE 276 N -0.60 1.34 -0.51 3.27 1.08 -1.39 -0.43 117.51 120.28 3bjx h ILE 276 Ca 0.03 -2.03 -0.00 0.00 -0.39 0.00 0.00 64.86 62.47 3bjx h ILE 276 Cb 0.65 2.01 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 3bjx h ILE 276 CO -0.26 0.62 0.31 0.40 -0.69 0.00 0.00 178.15 178.53 3bjx h ILE 277 N 0.36 1.15 -0.04 -0.67 2.04 -1.24 -1.76 117.51 117.35 3bjx h ILE 277 Ca -0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3bjx h ILE 277 Cb 1.28 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3bjx h ILE 277 CO 0.13 0.15 -0.02 -0.74 0.00 0.00 0.00 178.15 177.67 3bjx h HIS 278 N 0.70 0.10 -0.85 1.37 2.76 -0.16 -1.31 115.15 117.76 3bjx h HIS 278 Ca 0.18 -0.03 0.21 0.00 -2.20 0.00 0.00 60.37 58.54 3bjx h HIS 278 Cb -0.03 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 28.78 3bjx h HIS 278 CO 0.00 0.48 0.27 0.82 -1.30 0.00 0.00 177.93 178.20 3bjx h ILE 279 N -0.31 0.40 -0.33 6.26 2.04 -1.02 -2.14 117.51 122.42 3bjx h ILE 279 Ca 0.01 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3bjx h ILE 279 Cb 0.46 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3bjx h ILE 279 CO 0.01 0.05 -0.43 0.74 0.00 0.00 0.00 178.15 178.52 3bjx h THR 280 N 0.28 1.28 -0.49 -0.27 2.02 -1.18 -2.67 112.91 111.88 3bjx h THR 280 Ca 0.52 -1.61 0.03 0.00 0.77 0.00 0.00 66.41 66.12 3bjx h THR 280 Cb 1.00 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 3bjx h THR 280 CO -0.59 0.53 0.28 -0.08 0.37 0.00 0.00 175.52 176.03 3bjx h GLU 281 N 0.67 0.53 -0.66 6.66 4.81 -0.83 0.16 114.58 125.93 3bjx h GLU 281 Ca 0.05 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3bjx h GLU 281 Cb 1.01 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 3bjx h GLU 281 CO 0.10 0.35 0.44 0.00 -0.73 0.00 0.00 179.01 179.17 3bjx h LEU 283 N 0.70 0.29 -0.55 0.00 5.85 -1.05 -2.49 115.31 118.05 3bjx h LEU 283 Ca 0.28 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3bjx h LEU 283 Cb 0.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3bjx h LEU 283 CO -0.09 1.16 0.00 0.47 -0.34 0.00 0.00 178.44 179.65 3bjx n ASP 284 N -4.36 0.55 0.00 1.25 8.00 0.51 -4.52 116.55 117.98 3bjx n ASP 284 Ca -0.11 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3bjx n ASP 284 Cb 0.64 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3bjx n ASP 284 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bjx n GLY 285 N 0.06 -0.37 0.21 0.44 0.00 0.18 -4.43 105.19 101.28 3bjx n GLY 285 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 3bjx n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjx h ALA 286 N 0.00 0.66 0.02 4.61 0.00 -1.92 -2.38 119.26 120.26 3bjx h ALA 286 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3bjx h ALA 286 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3bjx h ALA 286 CO 0.00 -0.09 -0.18 0.93 0.00 0.00 0.00 179.25 179.91 3bjx h GLU 287 N 0.51 -0.30 0.00 0.00 5.08 -1.97 0.34 114.58 118.24 3bjx h GLU 287 Ca 0.23 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3bjx h GLU 287 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3bjx h GLU 287 CO -0.16 -0.20 -0.34 0.00 -1.00 0.00 0.00 179.01 177.31 3bjx h ALA 288 N 0.59 1.31 -0.00 3.43 0.00 -1.75 -1.57 119.26 121.27 3bjx h ALA 288 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 3bjx h ALA 288 Cb 0.37 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3bjx h ALA 288 CO -0.16 0.43 -1.04 0.00 0.00 0.00 0.00 179.25 178.48 3bjx h ALA 289 N 1.66 0.13 0.05 0.00 0.00 -1.14 -3.38 119.26 116.57 3bjx h ALA 289 Ca -0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 54.91 53.90 3bjx h ALA 289 Cb 0.66 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3bjx h ALA 289 CO 0.04 0.68 -1.77 0.66 0.00 0.00 0.00 179.25 178.86 3bjx h SER 290 N 0.40 0.15 -4.18 0.00 4.64 -0.82 -3.47 113.55 110.27 3bjx h SER 290 Ca -0.13 -0.33 -0.47 0.00 -0.47 0.00 0.00 61.79 60.39 3bjx h SER 290 Cb 1.69 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.75 3bjx h SER 290 CO 0.20 1.29 0.37 -1.59 -0.87 0.00 0.00 176.83 176.24 3bjx s LYS 291 N -2.59 3.87 0.20 4.77 -2.85 -0.60 -3.74 119.74 118.79 3bjx s LYS 291 Ca -0.10 1.02 -0.31 0.00 -1.00 0.00 0.00 55.97 55.58 3bjx s LYS 291 Cb 0.08 -2.12 -0.10 0.00 -2.06 0.00 0.00 37.83 33.62 3bjx s LYS 291 CO 0.81 -0.34 1.54 0.45 0.10 0.00 0.00 175.35 177.91 3bjx s SER 292 N -2.92 6.58 0.42 0.03 0.15 -1.26 -4.90 113.70 111.80 3bjx s SER 292 Ca 0.60 2.66 0.25 0.00 0.70 0.00 0.00 55.95 60.16 3bjx s SER 292 Cb -0.11 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.15 3bjx s SER 292 CO 0.30 -0.81 1.69 1.55 1.20 0.00 0.00 173.24 177.17 3bjx h PRO 293 N 6.23 0.00 -2.20 5.44 0.14 -1.89 -3.37 132.00 136.35 3bjx h PRO 293 Ca -0.44 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.11 3bjx h PRO 293 Cb 1.21 0.00 -0.41 0.00 0.14 0.00 0.00 31.00 31.94 3bjx h PRO 293 CO 0.87 0.00 -0.77 1.19 0.14 0.00 0.00 178.00 179.43 3bjx n PHE 294 N -2.96 2.17 -1.97 1.56 3.72 -1.26 -5.02 117.46 113.71 3bjx n PHE 294 Ca 0.04 -3.95 -0.41 0.00 -0.05 0.00 0.00 57.45 53.08 3bjx n PHE 294 Cb 0.48 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 3bjx n PHE 294 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3bjx s PRO 295 N -1.90 4.24 0.00 -1.08 0.02 -1.26 -5.09 135.00 129.94 3bjx s PRO 295 Ca 0.37 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3bjx s PRO 295 Cb 0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3bjx s PRO 295 CO -0.06 -0.40 0.08 -0.89 -0.33 0.00 0.00 177.00 175.40