#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isp n LEU 6 N 0.00 0.03 -4.26 1.08 -0.00 -1.26 -5.08 117.00 107.52 3isp n LEU 6 Ca 0.00 -0.30 -0.33 0.00 -0.00 0.00 0.00 56.01 55.38 3isp n LEU 6 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 3isp n LEU 6 CO 0.00 0.01 -0.63 0.47 -0.00 0.00 0.00 177.39 177.23 3isp n ASP 7 N -1.23 -2.41 0.00 1.45 9.92 -1.26 -4.82 116.55 118.21 3isp n ASP 7 Ca 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 3isp n ASP 7 Cb 0.02 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 3isp n ASP 7 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3isp n GLY 8 N 2.11 0.00 0.25 0.44 0.00 -1.26 -4.76 105.19 101.97 3isp n GLY 8 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3isp n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3isp h PRO 9 N 0.00 0.26 0.00 1.61 0.11 -2.00 -2.75 132.00 129.23 3isp h PRO 9 Ca 0.00 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3isp h PRO 9 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3isp h PRO 9 CO 0.00 0.34 -0.45 1.96 -0.21 0.00 0.00 178.00 179.64 3isp h GLN 10 N 0.25 0.00 0.00 1.05 4.20 -1.85 -2.26 115.11 116.49 3isp h GLN 10 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3isp h GLN 10 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3isp h GLN 10 CO 0.01 0.45 -0.01 1.25 -0.67 0.00 0.00 178.83 179.87 3isp h LEU 11 N 0.00 0.00 -1.56 1.46 5.85 -1.86 -2.21 115.31 117.00 3isp h LEU 11 Ca -0.00 -0.50 0.21 0.00 0.84 0.00 0.00 57.88 58.42 3isp h LEU 11 Cb 1.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 3isp h LEU 11 CO 0.06 0.76 0.60 0.00 -0.34 0.00 0.00 178.44 179.51 3isp h ALA 12 N -0.50 2.26 -0.22 1.25 0.00 -1.57 0.42 119.26 120.90 3isp h ALA 12 Ca -0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3isp h ALA 12 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3isp h ALA 12 CO -0.00 -0.54 -0.45 0.00 0.00 0.00 0.00 179.25 178.25 3isp h ALA 13 N 1.61 0.80 -0.07 0.00 0.00 -1.46 -0.93 119.26 119.21 3isp h ALA 13 Ca 0.46 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3isp h ALA 13 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3isp h ALA 13 CO -0.16 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 3isp h LEU 14 N 0.45 0.13 -0.89 0.00 5.85 0.33 -1.64 115.31 119.55 3isp h LEU 14 Ca 0.03 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3isp h LEU 14 Cb 0.96 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3isp h LEU 14 CO 0.09 0.49 0.58 0.00 -0.34 0.00 0.00 178.44 179.26 3isp h ALA 15 N 0.65 1.16 0.59 1.25 0.00 -0.70 -1.35 119.26 120.85 3isp h ALA 15 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3isp h ALA 15 Cb 0.43 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3isp h ALA 15 CO 0.01 0.48 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 3isp h ALA 16 N 1.35 -0.91 0.00 0.00 0.00 -1.09 0.42 119.26 119.03 3isp h ALA 16 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3isp h ALA 16 Cb -0.07 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3isp h ALA 16 CO -0.10 -1.02 -0.00 0.28 0.00 0.00 0.00 179.25 178.41 3isp h VAL 17 N -0.89 0.04 0.09 0.00 2.07 -1.10 -2.13 116.25 114.32 3isp h VAL 17 Ca -0.07 -0.15 -0.33 0.00 0.82 0.00 0.00 66.70 66.97 3isp h VAL 17 Cb 0.72 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3isp h VAL 17 CO 0.08 0.00 -1.78 0.52 0.02 0.00 0.00 177.57 176.41 3isp n VAL 18 N -3.13 1.71 0.12 2.57 0.31 -0.53 -4.01 118.33 115.37 3isp n VAL 18 Ca -0.02 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.76 3isp n VAL 18 Cb 0.14 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 3isp n VAL 18 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3isp h GLU 19 N -0.27 -0.38 -7.06 5.55 5.08 -0.02 -3.42 114.58 114.07 3isp h GLU 19 Ca -0.41 0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 57.51 3isp h GLU 19 Cb 1.81 0.09 0.03 0.00 0.50 0.00 0.00 28.75 31.17 3isp h GLU 19 CO -0.01 -0.09 0.39 -0.51 -1.00 0.00 0.00 179.01 177.79 3isp s LEU 20 N -9.07 3.88 0.00 1.33 1.43 -0.81 -4.96 118.68 110.48 3isp s LEU 20 Ca -0.10 1.96 0.09 0.00 -1.03 0.00 0.00 54.13 55.05 3isp s LEU 20 Cb 0.01 -4.51 0.28 0.00 0.03 0.00 0.00 46.19 42.00 3isp s LEU 20 CO 0.34 -0.78 1.22 0.61 0.23 0.00 0.00 176.35 177.98 3isp n GLY 21 N -0.14 0.11 3.19 -3.19 0.00 -1.26 -4.43 105.19 99.46 3isp n GLY 21 Ca 0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3isp n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3isp s SER 22 N -1.06 0.13 0.22 1.61 1.04 -1.26 0.38 113.70 114.76 3isp s SER 22 Ca 0.18 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 3isp s SER 22 Cb 0.09 0.31 0.21 0.00 0.10 0.00 0.00 66.02 66.73 3isp s SER 22 CO 0.12 -0.67 1.59 -0.26 0.98 0.00 0.00 173.24 175.01 3isp h PHE 23 N 2.99 0.69 0.42 5.02 0.04 -1.91 -2.96 116.94 121.23 3isp h PHE 23 Ca -0.33 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.23 3isp h PHE 23 Cb 1.19 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3isp h PHE 23 CO 0.46 0.89 -0.33 -0.44 -0.60 0.00 0.00 178.31 178.28 3isp h ASP 24 N 0.48 -0.87 -0.77 2.17 3.45 -1.96 -2.13 116.42 116.79 3isp h ASP 24 Ca 0.04 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3isp h ASP 24 Cb 0.90 0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 39.91 3isp h ASP 24 CO 0.08 -0.49 0.34 0.00 -1.57 0.00 0.00 179.24 177.59 3isp h ALA 25 N -0.30 1.13 -0.15 3.45 0.00 -1.97 -0.83 119.26 120.59 3isp h ALA 25 Ca -0.04 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3isp h ALA 25 Cb 0.65 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3isp h ALA 25 CO -0.01 0.64 -0.53 0.00 0.00 0.00 0.00 179.25 179.35 3isp h ALA 26 N 1.25 -0.85 -0.67 0.00 0.00 -1.39 0.61 119.26 118.21 3isp h ALA 26 Ca 0.26 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3isp h ALA 26 Cb 0.17 0.99 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3isp h ALA 26 CO -0.03 -1.07 -0.32 0.00 0.00 0.00 0.00 179.25 177.83 3isp h ALA 27 N -0.23 0.06 -0.86 0.00 0.00 -0.75 0.33 119.26 117.83 3isp h ALA 27 Ca 0.04 0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.38 3isp h ALA 27 Cb 0.67 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3isp h ALA 27 CO -0.44 -0.63 0.60 0.93 0.00 0.00 0.00 179.25 179.71 3isp h GLU 28 N -0.12 0.16 0.00 0.00 5.08 0.47 0.31 114.58 120.48 3isp h GLU 28 Ca 0.27 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3isp h GLU 28 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3isp h GLU 28 CO -0.74 0.10 -1.13 -2.13 -1.00 0.00 0.00 179.01 174.11 3isp n ARG 29 N -4.38 0.61 -0.08 2.33 0.63 0.04 -4.04 116.66 111.77 3isp n ARG 29 Ca 0.18 0.14 0.05 0.00 -0.92 0.00 0.00 57.85 57.30 3isp n ARG 29 Cb 0.82 -1.82 0.09 0.00 0.45 0.00 0.00 32.46 32.01 3isp n ARG 29 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3isp n LEU 30 N -2.72 2.33 -3.80 6.15 4.77 -0.55 -4.98 117.00 118.20 3isp n LEU 30 Ca -0.03 -1.48 -0.26 0.00 -0.03 0.00 0.00 56.01 54.21 3isp n LEU 30 Cb 0.63 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3isp n LEU 30 CO 0.41 0.53 0.07 1.41 -1.33 0.00 0.00 177.39 178.47 3isp n HIS 31 N 0.51 -2.24 -2.77 -1.77 8.25 -0.01 -4.99 115.22 112.21 3isp n HIS 31 Ca 0.08 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3isp n HIS 31 Cb 0.33 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.17 3isp n HIS 31 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3isp n VAL 32 N -4.57 0.00 -4.29 1.59 0.31 -0.90 -5.05 118.33 105.42 3isp n VAL 32 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.02 3isp n VAL 32 Cb 0.58 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.39 3isp n VAL 32 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3isp s THR 33 N 0.91 1.68 0.19 2.52 -4.23 -1.26 -4.62 115.64 110.83 3isp s THR 33 Ca 0.00 -1.65 -0.13 0.00 -1.18 0.00 0.00 61.69 58.73 3isp s THR 33 Cb 0.00 -1.60 0.14 0.00 1.34 0.00 0.00 72.50 72.37 3isp s THR 33 CO 0.00 -0.17 1.68 -0.65 -0.54 0.00 0.00 174.62 174.94 3isp h PRO 34 N 3.81 0.11 0.00 3.99 0.11 -1.90 -0.54 132.00 137.59 3isp h PRO 34 Ca -0.44 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 3isp h PRO 34 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3isp h PRO 34 CO 0.44 0.07 -0.52 0.66 -0.21 0.00 0.00 178.00 178.44 3isp h SER 35 N 0.11 0.00 0.39 -2.05 4.64 -1.97 -2.79 113.55 111.89 3isp h SER 35 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 3isp h SER 35 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3isp h SER 35 CO -0.43 0.52 -0.51 0.00 -0.87 0.00 0.00 176.83 175.54 3isp h ALA 36 N 1.48 1.06 0.00 5.18 0.00 -1.56 -2.99 119.26 122.43 3isp h ALA 36 Ca -0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3isp h ALA 36 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3isp h ALA 36 CO 0.07 0.65 -0.97 -0.39 0.00 0.00 0.00 179.25 178.61 3isp h VAL 37 N 0.11 0.81 -0.13 0.00 -1.51 -1.21 -3.09 116.25 111.23 3isp h VAL 37 Ca 0.00 -2.28 -0.00 0.00 -1.23 0.00 0.00 66.70 63.19 3isp h VAL 37 Cb 0.93 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 3isp h VAL 37 CO 0.07 0.46 0.07 -1.28 -1.23 0.00 0.00 177.57 175.66 3isp h SER 38 N 0.00 0.17 1.81 4.19 0.87 -1.34 -0.41 113.55 118.83 3isp h SER 38 Ca -0.08 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3isp h SER 38 Cb 1.53 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 3isp h SER 38 CO 0.07 0.23 0.00 -0.61 -0.53 0.00 0.00 176.83 175.98 3isp h GLN 39 N 0.10 0.00 -0.32 2.24 -0.00 -1.70 -2.41 115.11 113.01 3isp h GLN 39 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 3isp h GLN 39 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 3isp h GLN 39 CO -0.01 0.00 -0.12 -0.09 0.00 0.00 0.00 178.83 178.61 3isp h ARG 40 N 0.00 0.55 0.01 1.69 9.65 -1.34 -2.72 114.38 122.22 3isp h ARG 40 Ca 0.00 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.63 3isp h ARG 40 Cb 0.91 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3isp h ARG 40 CO 0.00 0.67 -0.33 0.82 2.80 0.00 0.00 179.97 183.93 3isp h ILE 41 N 0.51 1.54 0.00 1.20 1.08 -0.81 -3.29 117.51 117.74 3isp h ILE 41 Ca 0.09 -2.03 -0.01 0.00 -0.39 0.00 0.00 64.86 62.52 3isp h ILE 41 Cb 0.52 2.81 -0.00 0.00 -3.07 0.00 0.00 36.82 37.07 3isp h ILE 41 CO 0.03 0.56 -0.03 0.11 -0.69 0.00 0.00 178.15 178.13 3isp h LYS 42 N -0.46 0.00 0.60 2.37 1.57 -1.43 -1.78 116.57 117.44 3isp h LYS 42 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3isp h LYS 42 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.41 3isp h LYS 42 CO 0.06 0.03 -0.29 0.77 -0.57 0.00 0.00 179.45 179.46 3isp h SER 43 N 0.00 -0.68 -0.74 0.86 0.02 -1.59 -1.42 113.55 110.00 3isp h SER 43 Ca -0.00 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.14 3isp h SER 43 Cb 0.07 0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.66 3isp h SER 43 CO 0.00 -0.45 -0.03 0.25 -1.14 0.00 0.00 176.83 175.47 3isp h LEU 44 N -0.88 -0.40 -1.14 5.07 5.85 -1.52 0.46 115.31 122.75 3isp h LEU 44 Ca -0.08 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3isp h LEU 44 Cb 0.62 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3isp h LEU 44 CO 0.14 -0.18 0.11 1.05 -0.34 0.00 0.00 178.44 179.21 3isp h GLU 45 N 0.08 0.71 -0.23 1.25 4.11 -1.38 -2.85 114.58 116.27 3isp h GLU 45 Ca 0.39 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.72 3isp h GLU 45 Cb 0.67 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3isp h GLU 45 CO -0.67 0.65 0.03 0.37 0.07 0.00 0.00 179.01 179.46 3isp h GLN 46 N 0.69 0.11 -0.93 1.06 4.15 0.10 -2.35 115.11 117.94 3isp h GLN 46 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3isp h GLN 46 Cb 0.26 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3isp h GLN 46 CO -0.00 0.07 0.00 0.00 -1.93 0.00 0.00 178.83 176.97 3isp n GLN 47 N -5.11 1.60 0.00 1.69 10.64 -0.55 -2.83 117.38 122.81 3isp n GLN 47 Ca -0.02 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.67 3isp n GLN 47 Cb 0.11 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 3isp n GLN 47 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 3isp n VAL 48 N 0.09 0.01 -2.17 -0.39 0.24 -0.98 -5.04 118.33 110.10 3isp n VAL 48 Ca 0.04 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 3isp n VAL 48 Cb 0.39 1.62 -0.01 0.00 -1.47 0.00 0.00 33.84 34.37 3isp n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3isp n GLY 49 N -0.00 -0.02 3.83 7.63 0.00 -0.92 -4.99 105.19 110.72 3isp n GLY 49 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 3isp n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3isp s GLN 50 N -4.52 1.69 -0.22 1.61 -0.21 -1.16 -5.09 119.66 111.78 3isp s GLN 50 Ca 0.00 -0.96 -0.15 0.00 0.02 0.00 0.00 55.36 54.26 3isp s GLN 50 Cb 0.00 0.56 -0.04 0.00 1.00 0.00 0.00 33.01 34.53 3isp s GLN 50 CO 0.00 -0.78 0.38 0.54 -2.12 0.00 0.00 175.29 173.31 3isp s VAL 51 N -3.54 5.20 -0.18 1.09 0.11 -1.26 -4.51 120.40 117.30 3isp s VAL 51 Ca 0.12 0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 59.82 3isp s VAL 51 Cb -0.05 -3.71 -0.22 0.00 -1.53 0.00 0.00 36.38 30.87 3isp s VAL 51 CO 0.06 0.24 0.09 0.18 -3.33 0.00 0.00 175.10 172.34 3isp n LEU 52 N 4.63 2.63 -4.53 2.54 4.77 -1.26 -4.58 117.00 121.20 3isp n LEU 52 Ca -0.09 0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 3isp n LEU 52 Cb 0.51 -0.91 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 3isp n LEU 52 CO 0.39 0.86 -0.46 -0.69 -1.33 0.00 0.00 177.39 176.17 3isp s VAL 53 N -2.54 3.06 -0.23 4.08 1.01 -1.26 -0.29 120.40 124.22 3isp s VAL 53 Ca -0.27 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.19 3isp s VAL 53 Cb 0.08 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3isp s VAL 53 CO 0.70 0.08 0.07 0.54 0.00 0.00 0.00 175.10 176.48 3isp s VAL 54 N -1.23 4.42 0.40 2.92 0.11 -1.20 -4.84 120.40 120.97 3isp s VAL 54 Ca 0.20 -0.14 0.23 0.00 -2.93 0.00 0.00 61.98 59.34 3isp s VAL 54 Cb -0.11 -3.05 0.41 0.00 -1.53 0.00 0.00 36.38 32.11 3isp s VAL 54 CO 0.12 0.36 1.65 0.08 -3.33 0.00 0.00 175.10 173.98 3isp h ARG 55 N 7.91 0.18 -6.41 1.54 -0.00 -1.98 -3.41 114.38 112.20 3isp h ARG 55 Ca -0.37 -0.01 -0.62 0.00 -0.00 0.00 0.00 59.98 58.97 3isp h ARG 55 Cb 1.18 -0.04 0.06 0.00 -0.00 0.00 0.00 29.97 31.17 3isp h ARG 55 CO 0.60 0.12 0.59 -1.91 -0.00 0.00 0.00 179.97 179.37 3isp n GLU 56 N -4.85 1.67 -3.96 0.08 2.13 -1.26 -4.76 120.64 109.70 3isp n GLU 56 Ca 0.34 0.60 -0.35 0.00 0.66 0.00 0.00 57.16 58.41 3isp n GLU 56 Cb 1.21 -2.28 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 3isp n GLU 56 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3isp s LYS 57 N 0.44 3.93 0.20 5.31 1.02 -1.26 -1.58 119.74 127.80 3isp s LYS 57 Ca 0.79 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 3isp s LYS 57 Cb -0.79 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 3isp s LYS 57 CO 0.44 0.35 1.34 -2.14 -0.92 0.00 0.00 175.35 174.41 3isp s PRO 58 N 0.18 4.36 -0.34 -1.68 0.02 -1.26 -5.13 135.00 131.15 3isp s PRO 58 Ca 0.06 2.09 -0.16 0.00 0.02 0.00 0.00 61.00 63.01 3isp s PRO 58 Cb -0.12 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 3isp s PRO 58 CO 0.00 -0.29 0.41 0.00 -0.33 0.00 0.00 177.00 176.78 3isp s ARG 60 N 2.13 2.53 0.39 0.00 1.70 -1.26 -4.39 118.95 120.05 3isp s ARG 60 Ca 0.14 -1.24 -0.25 0.00 -0.47 0.00 0.00 55.73 53.91 3isp s ARG 60 Cb -0.16 -2.64 -0.09 0.00 -0.57 0.00 0.00 34.95 31.49 3isp s ARG 60 CO 0.12 -0.62 1.09 0.00 -1.08 0.00 0.00 175.30 174.81 3isp s ALA 61 N -2.59 3.12 0.41 7.88 0.00 -1.26 -3.23 121.76 126.08 3isp s ALA 61 Ca 0.58 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 3isp s ALA 61 Cb -0.09 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3isp s ALA 61 CO 0.37 -0.32 0.94 0.95 0.00 0.00 0.00 175.76 177.70 3isp s THR 62 N -1.55 4.37 0.30 0.00 -4.23 0.60 -4.91 115.64 110.22 3isp s THR 62 Ca 0.57 1.52 -0.03 0.00 -1.18 0.00 0.00 61.69 62.57 3isp s THR 62 Cb -0.25 -3.67 0.44 0.00 1.34 0.00 0.00 72.50 70.35 3isp s THR 62 CO 0.32 -0.23 1.56 0.74 -0.54 0.00 0.00 174.62 176.47 3isp h THR 63 N 2.03 0.01 0.00 3.99 2.02 -1.89 0.96 112.91 120.02 3isp h THR 63 Ca -0.49 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3isp h THR 63 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3isp h THR 63 CO 0.62 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.51 3isp n ALA 64 N -3.37 2.23 0.33 6.16 0.00 -1.26 -2.27 120.51 122.33 3isp n ALA 64 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.57 3isp n ALA 64 Cb 0.64 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3isp n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isp n GLY 65 N 0.25 0.09 0.21 0.00 0.00 0.33 -4.69 105.19 101.37 3isp n GLY 65 Ca 0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3isp n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3isp h ILE 66 N 0.39 0.59 -0.93 -0.61 1.08 -1.22 -1.76 117.51 115.05 3isp h ILE 66 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.64 3isp h ILE 66 Cb 0.21 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.47 3isp h ILE 66 CO 0.00 0.00 0.59 -0.65 -0.69 0.00 0.00 178.15 177.40 3isp h PRO 67 N -0.24 0.61 0.00 2.37 0.11 -1.84 0.18 132.00 133.19 3isp h PRO 67 Ca 0.07 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 3isp h PRO 67 Cb 0.34 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3isp h PRO 67 CO -0.20 0.40 -0.60 -0.07 -0.21 0.00 0.00 178.00 177.32 3isp h LEU 68 N 0.62 0.00 -0.43 2.35 3.38 -1.70 0.25 115.31 119.79 3isp h LEU 68 Ca 0.49 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.32 3isp h LEU 68 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3isp h LEU 68 CO -0.24 0.60 -0.27 0.25 0.09 0.00 0.00 178.44 178.87 3isp h LEU 69 N 0.00 0.97 -0.48 1.67 5.85 -0.13 -1.67 115.31 121.52 3isp h LEU 69 Ca -0.01 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3isp h LEU 69 Cb 1.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3isp h LEU 69 CO 0.08 1.18 0.28 -0.09 -0.34 0.00 0.00 178.44 179.55 3isp h ARG 70 N 0.76 0.66 0.22 1.25 2.43 -0.27 -1.33 114.38 118.10 3isp h ARG 70 Ca 0.09 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3isp h ARG 70 Cb 0.85 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3isp h ARG 70 CO 0.07 0.49 -0.25 1.25 -1.51 0.00 0.00 179.97 180.03 3isp h LEU 71 N 0.64 -0.68 -0.80 3.80 5.85 -0.38 -0.17 115.31 123.58 3isp h LEU 71 Ca 0.17 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.14 3isp h LEU 71 Cb 0.01 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.16 3isp h LEU 71 CO -0.03 -0.36 0.25 0.00 -0.34 0.00 0.00 178.44 177.96 3isp h ALA 72 N 0.16 1.12 0.77 1.25 0.00 -1.10 0.24 119.26 121.69 3isp h ALA 72 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3isp h ALA 72 Cb 0.49 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3isp h ALA 72 CO -0.08 -0.34 -0.37 0.00 0.00 0.00 0.00 179.25 178.47 3isp h ALA 73 N 1.65 -1.08 -0.84 0.00 0.00 -0.42 -2.36 119.26 116.20 3isp h ALA 73 Ca 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3isp h ALA 73 Cb 0.83 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3isp h ALA 73 CO -0.52 -1.01 0.40 -0.56 0.00 0.00 0.00 179.25 177.56 3isp h GLN 74 N -1.22 1.22 -0.45 0.00 3.07 -0.82 -0.66 115.11 116.24 3isp h GLN 74 Ca -0.11 -0.18 0.09 0.00 0.09 0.00 0.00 58.65 58.54 3isp h GLN 74 Cb 0.79 -0.22 -0.10 0.00 0.08 0.00 0.00 27.48 28.04 3isp h GLN 74 CO 0.17 0.93 -0.31 1.15 0.09 0.00 0.00 178.83 180.87 3isp h THR 75 N 1.20 0.23 -0.45 1.86 2.02 -1.01 -0.41 112.91 116.36 3isp h THR 75 Ca 0.29 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.41 3isp h THR 75 Cb 0.12 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3isp h THR 75 CO -0.04 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.87 3isp h ALA 76 N 0.88 1.19 -0.77 6.16 0.00 -0.84 -1.28 119.26 124.59 3isp h ALA 76 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3isp h ALA 76 Cb 0.53 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3isp h ALA 76 CO -0.57 0.53 0.28 1.25 0.00 0.00 0.00 179.25 180.74 3isp h LEU 77 N 0.69 1.10 0.62 0.00 5.85 -0.33 -2.49 115.31 120.74 3isp h LEU 77 Ca 0.14 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3isp h LEU 77 Cb 0.39 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 41.14 3isp h LEU 77 CO 0.01 0.99 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.74 3isp h LEU 78 N 1.14 -0.70 -0.87 2.25 3.38 -0.59 -3.16 115.31 116.75 3isp h LEU 78 Ca 0.25 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.41 3isp h LEU 78 Cb 0.26 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.04 3isp h LEU 78 CO -0.02 -0.44 -0.26 -0.62 0.09 0.00 0.00 178.44 177.19 3isp n GLU 79 N -4.58 -0.12 0.00 1.13 1.02 -0.53 -1.31 120.64 116.25 3isp n GLU 79 Ca -0.10 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.39 3isp n GLU 79 Cb 0.33 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 3isp n GLU 79 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3isp n SER 80 N -5.37 0.00 0.16 1.62 7.64 -0.94 -1.24 113.62 115.48 3isp n SER 80 Ca 0.12 0.86 0.18 0.00 1.01 0.00 0.00 58.87 61.03 3isp n SER 80 Cb 0.40 -0.36 0.78 0.00 -1.01 0.00 0.00 64.21 64.03 3isp n SER 80 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3isp h GLU 81 N 0.00 0.00 0.33 1.43 4.11 -1.17 0.11 114.58 119.39 3isp h GLU 81 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3isp h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3isp h GLU 81 CO 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 179.01 178.92 3isp h ALA 82 N 1.73 -0.45 -0.90 1.06 0.00 -0.91 -2.66 119.26 117.13 3isp h ALA 82 Ca 0.12 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.02 3isp h ALA 82 Cb 0.63 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3isp h ALA 82 CO -0.00 -0.64 0.58 -0.07 0.00 0.00 0.00 179.25 179.12 3isp h LEU 83 N -0.66 0.65 0.15 0.00 3.38 0.61 -2.37 115.31 117.06 3isp h LEU 83 Ca -0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3isp h LEU 83 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3isp h LEU 83 CO 0.07 0.32 -0.11 0.00 0.09 0.00 0.00 178.44 178.82 3isp h ALA 84 N 1.60 -0.93 -0.94 1.53 0.00 -1.23 -3.06 119.26 116.23 3isp h ALA 84 Ca 0.46 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.63 3isp h ALA 84 Cb 0.76 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 3isp h ALA 84 CO -0.21 -0.92 0.22 -1.91 0.00 0.00 0.00 179.25 176.42 3isp n GLU 85 N -2.88 -0.07 -0.51 0.00 2.13 -0.92 -5.12 120.64 113.28 3isp n GLU 85 Ca -0.03 1.36 -0.09 0.00 0.66 0.00 0.00 57.16 59.06 3isp n GLU 85 Cb 0.10 -2.27 0.08 0.00 0.27 0.00 0.00 31.44 29.63 3isp n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3isp n MET 86 N -5.28 1.62 -0.17 5.31 0.00 -1.06 -5.14 117.12 112.41 3isp n MET 86 Ca 0.28 -1.28 0.02 0.00 0.00 0.00 0.00 57.70 56.72 3isp n MET 86 Cb 0.92 -1.53 -0.01 0.00 0.00 0.00 0.00 33.22 32.61 3isp n MET 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3isp n LYS 93 N -0.16 -0.34 -2.38 3.17 3.00 -1.26 -4.95 118.16 115.25 3isp n LYS 93 Ca 0.24 0.22 -0.41 0.00 -0.00 0.00 0.00 58.31 58.36 3isp n LYS 93 Cb 0.97 -0.41 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 3isp n LYS 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3isp s ARG 94 N -0.29 4.51 0.13 1.64 3.52 -1.26 -4.99 118.95 122.21 3isp s ARG 94 Ca 0.00 1.88 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 3isp s ARG 94 Cb 0.00 -3.22 -0.06 0.00 -1.56 0.00 0.00 34.95 30.11 3isp s ARG 94 CO 0.00 -0.03 1.00 0.99 -0.81 0.00 0.00 175.30 176.45 3isp s THR 95 N -0.34 4.31 -0.20 4.11 2.01 -1.26 -4.84 115.64 119.44 3isp s THR 95 Ca 0.51 1.94 -0.14 0.00 0.31 0.00 0.00 61.69 64.31 3isp s THR 95 Cb -0.33 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 3isp s THR 95 CO 0.38 0.31 0.30 -0.60 -0.69 0.00 0.00 174.62 174.32 3isp s ARG 96 N -0.09 4.18 -0.15 4.92 6.06 -1.26 -0.97 118.95 131.63 3isp s ARG 96 Ca 0.48 0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.75 3isp s ARG 96 Cb -0.25 -3.50 0.03 0.00 0.06 0.00 0.00 34.95 31.29 3isp s ARG 96 CO 0.31 0.08 -0.11 0.96 -2.50 0.00 0.00 175.30 174.04 3isp s ILE 97 N 0.95 1.42 -0.22 4.11 -4.36 -0.79 -4.99 121.20 117.34 3isp s ILE 97 Ca 0.15 -0.60 -0.14 0.00 -0.26 0.00 0.00 60.65 59.80 3isp s ILE 97 Cb -0.14 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 3isp s ILE 97 CO 0.05 0.37 0.32 -0.89 0.24 0.00 0.00 174.94 175.04 3isp s THR 98 N 1.54 5.25 0.01 8.37 2.01 -1.26 -0.33 115.64 131.23 3isp s THR 98 Ca 0.04 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.60 3isp s THR 98 Cb -0.13 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 3isp s THR 98 CO -0.10 0.28 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.36 3isp s ILE 99 N 1.25 0.94 -0.11 1.82 1.01 0.14 -1.32 121.20 124.93 3isp s ILE 99 Ca 0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3isp s ILE 99 Cb -0.14 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 3isp s ILE 99 CO 0.07 0.12 0.08 0.00 0.00 0.00 0.00 174.94 175.21 3isp s ALA 100 N -0.54 3.62 0.01 9.38 0.00 -0.50 -0.55 121.76 133.17 3isp s ALA 100 Ca 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 3isp s ALA 100 Cb -0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 3isp s ALA 100 CO 0.00 0.57 -0.01 0.08 0.00 0.00 0.00 175.76 176.40 3isp s VAL 101 N -0.84 0.03 0.50 0.00 1.01 0.54 -0.24 120.40 121.40 3isp s VAL 101 Ca 0.13 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3isp s VAL 101 Cb -0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 3isp s VAL 101 CO 0.03 -0.15 1.01 0.54 0.00 0.00 0.00 175.10 176.53 3isp s ASN 102 N -0.43 6.46 0.24 3.32 4.22 -1.20 -1.29 114.94 126.26 3isp s ASN 102 Ca -0.05 1.76 -0.05 0.00 -2.14 0.00 0.00 52.86 52.38 3isp s ASN 102 Cb -0.03 -2.54 0.34 0.00 1.28 0.00 0.00 41.25 40.31 3isp s ASN 102 CO -0.00 -0.70 1.85 0.00 -2.04 0.00 0.00 177.10 176.21 3isp h ALA 103 N 1.29 1.21 0.00 3.54 0.00 -1.93 -1.06 119.26 122.31 3isp h ALA 103 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3isp h ALA 103 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3isp h ALA 103 CO 0.60 0.30 0.00 -0.44 0.00 0.00 0.00 179.25 179.70 3isp h ASP 104 N 0.99 0.00 0.12 0.00 3.32 -1.96 -0.62 116.42 118.27 3isp h ASP 104 Ca 0.38 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.19 3isp h ASP 104 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3isp h ASP 104 CO -0.17 0.00 -1.20 0.28 -1.72 0.00 0.00 179.24 176.43 3isp h SER 105 N 0.00 0.40 0.23 6.45 0.02 -1.59 -3.18 113.55 115.89 3isp h SER 105 Ca 0.00 -0.88 -0.02 0.00 -0.84 0.00 0.00 61.79 60.05 3isp h SER 105 Cb 0.48 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3isp h SER 105 CO 0.00 1.54 -0.09 -0.03 -1.14 0.00 0.00 176.83 177.11 3isp h MET 106 N -0.34 0.00 -0.01 3.45 1.85 -1.08 -0.89 114.93 117.91 3isp h MET 106 Ca -0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 3isp h MET 106 Cb 1.71 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.74 3isp h MET 106 CO 0.09 0.09 -0.05 0.00 -0.40 0.00 0.00 176.91 176.63 3isp n ALA 107 N -2.32 2.69 -1.02 0.39 0.00 -0.27 -4.59 120.51 115.40 3isp n ALA 107 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3isp n ALA 107 Cb 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3isp n ALA 107 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3isp n THR 108 N -0.45 0.00 -0.04 0.00 5.66 -0.65 -4.97 114.28 113.83 3isp n THR 108 Ca 0.19 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.20 3isp n THR 108 Cb 0.27 -0.02 -0.12 0.00 -1.55 0.00 0.00 70.33 68.91 3isp n THR 108 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 3isp n TRP 109 N -0.73 0.00 0.27 1.09 4.27 -0.77 -4.60 117.44 116.97 3isp n TRP 109 Ca 0.00 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 3isp n TRP 109 Cb 0.00 -0.53 0.76 0.00 -1.36 0.00 0.00 31.31 30.18 3isp n TRP 109 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3isp h PHE 110 N 0.00 0.00 0.00 -2.67 3.04 -1.48 -2.71 116.94 113.12 3isp h PHE 110 Ca -0.18 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 3isp h PHE 110 Cb 1.27 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 3isp h PHE 110 CO 0.00 0.08 -0.03 0.66 -2.02 0.00 0.00 178.31 177.00 3isp h SER 111 N 0.00 0.00 -0.94 0.41 4.64 -1.81 -1.73 113.55 114.12 3isp h SER 111 Ca -0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3isp h SER 111 Cb 0.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 3isp h SER 111 CO 0.01 0.03 0.60 0.00 -0.87 0.00 0.00 176.83 176.60 3isp h ALA 112 N 1.97 1.82 -0.48 5.18 0.00 -1.82 0.24 119.26 126.17 3isp h ALA 112 Ca -0.00 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3isp h ALA 112 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3isp h ALA 112 CO 0.00 -0.11 0.50 0.28 0.00 0.00 0.00 179.25 179.92 3isp h VAL 113 N 0.70 0.37 0.00 0.00 2.07 -1.54 -0.40 116.25 117.45 3isp h VAL 113 Ca 0.50 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.97 3isp h VAL 113 Cb 0.84 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3isp h VAL 113 CO -0.26 0.00 -0.24 -0.26 0.02 0.00 0.00 177.57 176.83 3isp h PHE 114 N 0.00 0.00 -0.22 1.57 0.04 -1.14 -2.33 116.94 114.87 3isp h PHE 114 Ca 0.23 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 3isp h PHE 114 Cb 1.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 3isp h PHE 114 CO 0.00 0.24 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.50 3isp h ASP 115 N 0.00 0.30 0.05 2.17 5.19 -1.23 -2.76 116.42 120.13 3isp h ASP 115 Ca -0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3isp h ASP 115 Cb 0.46 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3isp h ASP 115 CO 0.03 0.36 -0.04 0.61 -3.12 0.00 0.00 179.24 177.08 3isp n GLY 116 N -1.07 -0.30 0.21 2.75 0.00 -0.88 -4.48 105.19 101.42 3isp n GLY 116 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.69 3isp n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3isp n LEU 117 N -0.19 1.42 0.00 0.99 4.77 -1.04 -4.78 117.00 118.17 3isp n LEU 117 Ca 0.19 -2.17 0.13 0.00 -0.03 0.00 0.00 56.01 54.12 3isp n LEU 117 Cb 0.31 -0.24 0.75 0.00 -2.33 0.00 0.00 43.42 41.91 3isp n LEU 117 CO 0.18 0.51 0.93 0.61 -1.33 0.00 0.00 177.39 178.29 3isp n GLY 118 N -0.82 -0.80 0.61 -0.72 0.00 -1.25 -2.79 105.19 99.42 3isp n GLY 118 Ca 0.09 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3isp n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3isp n ASP 119 N -0.99 2.23 -1.84 1.61 5.68 -1.26 -4.95 116.55 117.03 3isp n ASP 119 Ca 0.19 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 3isp n ASP 119 Cb 0.09 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3isp n ASP 119 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3isp n VAL 120 N 0.66 0.00 -4.01 2.12 0.24 -1.12 -4.72 118.33 111.50 3isp n VAL 120 Ca 0.09 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.08 3isp n VAL 120 Cb 0.42 -0.20 -0.15 0.00 -1.47 0.00 0.00 33.84 32.43 3isp n VAL 120 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3isp s LEU 121 N 0.00 3.02 0.36 1.34 1.02 -0.15 -4.92 118.68 119.35 3isp s LEU 121 Ca 0.00 -1.29 -0.25 0.00 0.02 0.00 0.00 54.13 52.62 3isp s LEU 121 Cb 0.00 -1.37 -0.10 0.00 0.02 0.00 0.00 46.19 44.74 3isp s LEU 121 CO 0.00 -0.21 0.96 -0.76 0.02 0.00 0.00 176.35 176.36 3isp s LEU 122 N 1.24 4.21 -0.46 1.79 1.43 -1.26 -1.88 118.68 123.75 3isp s LEU 122 Ca -0.07 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 3isp s LEU 122 Cb -0.19 -4.17 0.13 0.00 0.03 0.00 0.00 46.19 41.99 3isp s LEU 122 CO -0.06 -0.21 0.24 -0.62 0.23 0.00 0.00 176.35 175.94 3isp s ASP 123 N -1.75 3.89 -0.19 2.29 -1.08 0.55 -4.89 116.67 115.50 3isp s ASP 123 Ca 0.54 -2.72 -0.15 0.00 -0.52 0.00 0.00 52.55 49.70 3isp s ASP 123 Cb -0.17 -1.24 -0.04 0.00 -1.46 0.00 0.00 42.92 40.01 3isp s ASP 123 CO 0.22 -0.26 0.35 -0.69 0.52 0.00 0.00 175.17 175.31 3isp s VAL 124 N 0.18 5.24 -0.09 1.11 1.01 -1.26 -0.68 120.40 125.91 3isp s VAL 124 Ca 0.17 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3isp s VAL 124 Cb -0.25 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3isp s VAL 124 CO -0.00 0.30 -0.15 -0.13 0.00 0.00 0.00 175.10 175.12 3isp s ARG 125 N 1.02 2.98 -0.46 2.72 1.81 0.28 -4.97 118.95 122.33 3isp s ARG 125 Ca 0.18 -0.72 -0.15 0.00 -1.72 0.00 0.00 55.73 53.31 3isp s ARG 125 Cb -0.14 -2.48 0.06 0.00 -0.45 0.00 0.00 34.95 31.93 3isp s ARG 125 CO 0.07 0.37 0.37 0.42 -0.68 0.00 0.00 175.30 175.85 3isp s ILE 126 N -0.08 5.24 0.11 1.52 -1.09 -1.26 -0.34 121.20 125.30 3isp s ILE 126 Ca -0.03 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.42 3isp s ILE 126 Cb -0.14 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3isp s ILE 126 CO 0.04 -0.51 0.07 -1.61 -1.23 0.00 0.00 174.94 171.70 3isp s GLU 127 N 1.66 0.86 0.33 2.79 0.41 -0.41 -4.95 118.70 119.39 3isp s GLU 127 Ca 0.04 -1.31 0.04 0.00 -0.41 0.00 0.00 54.97 53.34 3isp s GLU 127 Cb -0.23 0.26 0.06 0.00 -1.78 0.00 0.00 34.13 32.44 3isp s GLU 127 CO 0.08 -0.24 0.46 -0.40 -0.49 0.00 0.00 175.26 174.67 3isp n ASP 128 N -0.05 1.07 0.01 -0.19 5.68 -1.26 -3.50 116.55 118.31 3isp n ASP 128 Ca -0.09 -1.80 -0.12 0.00 -0.50 0.00 0.00 54.79 52.28 3isp n ASP 128 Cb 0.63 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.29 3isp n ASP 128 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3isp h GLN 129 N 0.00 -0.48 -0.76 0.11 4.15 -1.99 0.14 115.11 116.28 3isp h GLN 129 Ca -0.15 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.30 3isp h GLN 129 Cb 0.68 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 3isp h GLN 129 CO 0.21 -0.32 0.50 -0.44 -1.93 0.00 0.00 178.83 176.85 3isp h ASP 130 N -0.49 0.88 0.19 -0.69 5.19 -2.00 -2.01 116.42 117.49 3isp h ASP 130 Ca 0.07 -0.02 -0.26 0.00 -0.62 0.00 0.00 57.03 56.20 3isp h ASP 130 Cb 0.62 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.92 3isp h ASP 130 CO -0.37 0.64 -1.06 0.45 -3.12 0.00 0.00 179.24 175.78 3isp h HIS 131 N 1.04 0.85 -0.39 4.55 3.86 -1.87 -2.48 115.15 120.70 3isp h HIS 131 Ca 0.28 -0.48 0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3isp h HIS 131 Cb -0.12 -0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.18 3isp h HIS 131 CO -0.02 1.32 -0.25 0.77 0.86 0.00 0.00 177.93 180.61 3isp h SER 132 N 0.29 -0.83 -0.76 2.45 0.02 -0.87 -0.45 113.55 113.39 3isp h SER 132 Ca -0.12 0.17 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3isp h SER 132 Cb 1.71 0.42 -0.06 0.00 0.14 0.00 0.00 62.40 64.61 3isp h SER 132 CO 0.20 -0.27 0.44 0.00 -1.14 0.00 0.00 176.83 176.06 3isp h ALA 133 N 0.98 1.04 0.52 3.77 0.00 -1.26 0.53 119.26 124.83 3isp h ALA 133 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3isp h ALA 133 Cb 0.48 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3isp h ALA 133 CO -0.50 0.14 -0.25 -0.09 0.00 0.00 0.00 179.25 178.55 3isp h ARG 134 N 0.80 -0.67 -0.97 0.00 2.43 -0.93 -0.85 114.38 114.19 3isp h ARG 134 Ca 0.34 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.83 3isp h ARG 134 Cb 0.21 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 29.77 3isp h ARG 134 CO -0.19 -0.40 0.51 -0.07 -1.51 0.00 0.00 179.97 178.32 3isp h LEU 135 N -0.82 0.48 0.33 3.80 4.07 -0.47 0.16 115.31 122.85 3isp h LEU 135 Ca -0.07 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 3isp h LEU 135 Cb 0.59 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3isp h LEU 135 CO 0.12 -0.05 -0.16 -0.07 -1.08 0.00 0.00 178.44 177.20 3isp h LEU 136 N 0.40 -0.37 -1.20 1.67 3.38 -0.59 -0.27 115.31 118.34 3isp h LEU 136 Ca 0.66 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.96 3isp h LEU 136 Cb 1.39 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 42.11 3isp h LEU 136 CO -0.56 -0.25 0.66 0.03 0.09 0.00 0.00 178.44 178.41 3isp h ARG 137 N -0.46 0.33 -0.23 1.13 3.08 -0.54 0.37 114.38 118.06 3isp h ARG 137 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3isp h ARG 137 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3isp h ARG 137 CO 0.07 0.22 0.00 0.39 -1.07 0.00 0.00 179.97 179.58 3isp n GLU 138 N -4.82 1.66 -2.09 0.04 1.02 0.51 -4.88 120.64 112.07 3isp n GLU 138 Ca 0.30 -1.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.26 3isp n GLU 138 Cb 1.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.10 3isp n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3isp n GLY 139 N 1.01 0.25 0.11 0.62 0.00 0.13 -4.86 105.19 102.46 3isp n GLY 139 Ca 0.12 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3isp n GLY 139 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3isp n VAL 140 N -3.57 1.42 -3.70 1.61 3.14 -0.46 -4.87 118.33 111.90 3isp n VAL 140 Ca -0.20 -0.69 -0.36 0.00 -2.96 0.00 0.00 64.34 60.14 3isp n VAL 140 Cb 0.63 -0.98 -0.08 0.00 -1.06 0.00 0.00 33.84 32.35 3isp n VAL 140 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3isp s ALA 141 N -2.50 3.66 0.10 1.55 0.00 -0.24 -4.58 121.76 119.76 3isp s ALA 141 Ca -0.23 -0.75 0.15 0.00 0.00 0.00 0.00 51.96 51.13 3isp s ALA 141 Cb 0.08 -2.23 0.38 0.00 0.00 0.00 0.00 23.12 21.35 3isp s ALA 141 CO 0.69 0.04 1.59 1.98 0.00 0.00 0.00 175.76 180.06 3isp h MET 142 N 6.96 0.00 -2.30 0.00 4.05 -1.51 -3.37 114.93 118.75 3isp h MET 142 Ca -0.40 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.08 3isp h MET 142 Cb 1.16 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 31.80 3isp h MET 142 CO 0.72 0.52 0.40 0.20 0.23 0.00 0.00 176.91 178.99 3isp s GLY 143 N -4.44 -0.48 -0.01 1.39 0.00 -1.26 -1.59 107.32 100.93 3isp s GLY 143 Ca 0.01 1.08 0.01 0.00 0.00 0.00 0.00 44.72 45.82 3isp s GLY 143 CO 0.73 0.47 -0.03 0.00 0.00 0.00 0.00 173.10 174.26 3isp s ALA 144 N -2.75 0.40 -0.13 3.20 0.00 0.20 -1.40 121.76 121.28 3isp s ALA 144 Ca 0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 3isp s ALA 144 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3isp s ALA 144 CO -0.06 0.04 0.96 0.08 0.00 0.00 0.00 175.76 176.78 3isp s VAL 145 N 0.28 4.80 0.19 0.00 1.01 0.67 -1.18 120.40 126.17 3isp s VAL 145 Ca -0.03 1.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 3isp s VAL 145 Cb -0.06 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.06 3isp s VAL 145 CO -0.00 0.00 0.44 0.28 0.00 0.00 0.00 175.10 175.82 3isp s THR 146 N 2.09 0.04 -2.00 3.92 -1.32 0.91 -3.27 115.64 116.01 3isp s THR 146 Ca 0.46 -1.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.19 3isp s THR 146 Cb -0.18 -1.68 0.23 0.00 -1.51 0.00 0.00 72.50 69.36 3isp s THR 146 CO 0.16 -0.18 1.45 0.35 -2.21 0.00 0.00 174.62 174.19 3isp n THR 147 N -0.30 0.00 -2.89 5.08 -2.24 -1.26 0.88 114.28 113.54 3isp n THR 147 Ca -0.09 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 3isp n THR 147 Cb 0.63 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 3isp n THR 147 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3isp s GLU 148 N -2.40 4.57 -0.17 -0.78 2.12 -1.26 -4.87 118.70 115.91 3isp s GLU 148 Ca 0.25 1.21 0.16 0.00 0.36 0.00 0.00 54.97 56.95 3isp s GLU 148 Cb 0.19 -3.36 -0.24 0.00 0.26 0.00 0.00 34.13 30.98 3isp s GLU 148 CO 0.50 0.28 0.16 -2.13 -0.54 0.00 0.00 175.26 173.53 3isp n ARG 149 N 2.71 0.68 -2.79 4.30 0.63 -1.26 -4.69 116.66 116.24 3isp n ARG 149 Ca -0.01 0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.56 3isp n ARG 149 Cb 0.50 -1.57 -0.04 0.00 0.45 0.00 0.00 32.46 31.80 3isp n ARG 149 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3isp s ASN 150 N -5.66 7.32 0.24 6.15 0.01 -1.26 -4.97 114.94 116.77 3isp s ASN 150 Ca -0.10 1.59 -0.31 0.00 -0.71 0.00 0.00 52.86 53.33 3isp s ASN 150 Cb 0.06 -2.54 -0.14 0.00 0.41 0.00 0.00 41.25 39.05 3isp s ASN 150 CO 0.82 -0.19 1.27 -0.81 -1.51 0.00 0.00 177.10 176.68 3isp n PRO 151 N 3.65 1.72 -2.68 -0.60 -0.04 -1.26 -4.95 135.00 130.85 3isp n PRO 151 Ca 0.04 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.78 3isp n PRO 151 Cb 0.51 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 3isp n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3isp s VAL 152 N -0.36 4.44 -0.41 0.52 1.01 -1.26 -4.95 120.40 119.40 3isp s VAL 152 Ca 0.66 1.39 -0.44 0.00 0.00 0.00 0.00 61.98 63.60 3isp s VAL 152 Cb -0.70 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 3isp s VAL 152 CO 0.53 -0.45 1.73 -2.65 0.00 0.00 0.00 175.10 174.27 3isp n PRO 153 N -0.96 0.51 -0.65 2.72 -0.02 -1.26 -1.12 135.00 134.21 3isp n PRO 153 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3isp n PRO 153 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3isp n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3isp n GLY 154 N 4.48 0.68 3.39 -1.23 0.00 -1.26 -4.65 105.19 106.60 3isp n GLY 154 Ca 0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 3isp n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isp s ARG 156 N -2.52 3.11 -0.19 0.00 3.52 0.13 -4.52 118.95 118.48 3isp s ARG 156 Ca 0.17 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3isp s ARG 156 Cb -0.08 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.48 3isp s ARG 156 CO 0.08 0.56 -0.13 0.08 -0.81 0.00 0.00 175.30 175.08 3isp s VAL 157 N -1.51 2.68 -0.30 7.11 1.01 -1.26 -2.41 120.40 125.71 3isp s VAL 157 Ca 0.32 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3isp s VAL 157 Cb -0.12 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3isp s VAL 157 CO 0.25 0.49 0.06 -1.00 0.00 0.00 0.00 175.10 174.89 3isp s HIS 158 N 1.27 3.19 0.36 5.22 3.76 0.13 -5.00 115.29 124.22 3isp s HIS 158 Ca 0.03 -1.33 -0.27 0.00 -0.15 0.00 0.00 55.06 53.34 3isp s HIS 158 Cb -0.14 -2.21 -0.12 0.00 1.11 0.00 0.00 32.58 31.22 3isp s HIS 158 CO -0.07 -0.68 1.32 -2.30 -0.85 0.00 0.00 174.74 172.16 3isp n PRO 159 N 4.79 2.18 0.00 8.40 -0.02 -1.26 0.13 135.00 149.22 3isp n PRO 159 Ca -0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3isp n PRO 159 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3isp n PRO 159 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3isp n LEU 160 N 0.59 0.00 0.00 2.45 4.77 -0.58 -4.80 117.00 119.44 3isp n LEU 160 Ca 0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3isp n LEU 160 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3isp n LEU 160 CO 0.62 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3isp n GLY 161 N 2.03 0.02 3.24 -0.72 0.00 -1.24 -4.76 105.19 103.75 3isp n GLY 161 Ca 0.00 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 3isp n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3isp s GLU 162 N 0.00 1.68 -0.03 1.61 2.02 -0.63 0.02 118.70 123.36 3isp s GLU 162 Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 3isp s GLU 162 Cb 0.00 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 3isp s GLU 162 CO 0.00 0.45 0.40 1.41 0.02 0.00 0.00 175.26 177.54 3isp s MET 163 N -0.62 4.00 -0.16 1.61 1.75 0.70 -2.74 119.30 123.84 3isp s MET 163 Ca 0.08 0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 54.87 3isp s MET 163 Cb -0.08 -3.27 -0.02 0.00 2.84 0.00 0.00 34.83 34.29 3isp s MET 163 CO -0.00 0.58 -0.05 0.50 -0.65 0.00 0.00 175.02 175.39 3isp s ARG 164 N -0.70 3.60 -0.10 4.11 3.52 -1.26 -0.54 118.95 127.59 3isp s ARG 164 Ca 0.23 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.27 3isp s ARG 164 Cb -0.16 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 3isp s ARG 164 CO 0.12 0.18 -0.05 0.71 -0.81 0.00 0.00 175.30 175.46 3isp s TYR 165 N 0.50 3.00 0.24 5.12 2.02 0.12 0.92 117.35 129.27 3isp s TYR 165 Ca -0.04 -0.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.68 3isp s TYR 165 Cb -0.15 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3isp s TYR 165 CO 0.03 0.24 0.09 -0.51 -1.57 0.00 0.00 175.55 173.82 3isp s LEU 166 N -0.46 3.50 0.01 -1.29 1.43 0.87 -2.25 118.68 120.48 3isp s LEU 166 Ca 0.07 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 3isp s LEU 166 Cb -0.12 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 3isp s LEU 166 CO 0.02 0.01 0.65 -2.84 0.23 0.00 0.00 176.35 174.42 3isp s PRO 167 N -3.57 4.38 0.00 1.29 0.02 -1.26 -1.49 135.00 134.37 3isp s PRO 167 Ca 0.31 0.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.04 3isp s PRO 167 Cb -0.08 -3.35 0.02 0.00 0.02 0.00 0.00 34.50 31.11 3isp s PRO 167 CO 0.22 0.33 0.28 0.14 -0.33 0.00 0.00 177.00 177.64 3isp s VAL 168 N -0.10 0.07 0.00 3.83 -7.23 -0.42 -2.28 120.40 114.26 3isp s VAL 168 Ca 0.33 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3isp s VAL 168 Cb -0.19 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.06 3isp s VAL 168 CO 0.19 -0.32 0.00 0.00 -0.31 0.00 0.00 175.10 174.66 3isp n ALA 169 N 1.10 0.00 -2.39 1.32 0.00 -1.14 -0.51 120.51 118.89 3isp n ALA 169 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 3isp n ALA 169 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 3isp n ALA 169 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3isp s SER 170 N -0.60 5.91 0.15 0.00 1.04 -1.26 -2.13 113.70 116.81 3isp s SER 170 Ca 0.00 -0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 3isp s SER 170 Cb 0.00 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.96 3isp s SER 170 CO 0.00 -0.51 1.62 0.03 0.98 0.00 0.00 173.24 175.36 3isp h ARG 171 N 0.80 -0.28 -0.92 4.02 2.47 -1.86 -1.84 114.38 116.77 3isp h ARG 171 Ca -0.45 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.35 3isp h ARG 171 Cb 1.26 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.58 3isp h ARG 171 CO 0.52 -0.19 0.60 -1.35 0.56 0.00 0.00 179.97 180.11 3isp h PRO 172 N -0.29 1.04 0.00 0.04 0.11 -1.95 -2.22 132.00 128.72 3isp h PRO 172 Ca 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3isp h PRO 172 Cb 0.49 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3isp h PRO 172 CO -0.39 0.69 -0.07 0.35 -0.21 0.00 0.00 178.00 178.36 3isp h PHE 173 N 1.07 0.00 0.24 0.65 3.57 -1.66 -2.41 116.94 118.41 3isp h PHE 173 Ca 0.39 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3isp h PHE 173 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3isp h PHE 173 CO -0.00 0.07 -0.12 0.28 -2.23 0.00 0.00 178.31 176.31 3isp h VAL 174 N 0.00 0.00 0.00 1.41 2.07 -1.14 -2.19 116.25 116.40 3isp h VAL 174 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3isp h VAL 174 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3isp h VAL 174 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3isp n GLN 175 N -3.00 0.01 0.05 1.57 6.02 -1.12 -0.16 117.38 120.74 3isp n GLN 175 Ca -0.04 0.40 0.07 0.00 -0.01 0.00 0.00 57.00 57.43 3isp n GLN 175 Cb 0.13 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 3isp n GLN 175 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3isp n ARG 176 N -1.45 0.63 -3.12 -1.09 1.74 -0.92 -5.07 116.66 107.37 3isp n ARG 176 Ca 0.01 0.06 -0.20 0.00 -0.77 0.00 0.00 57.85 56.96 3isp n ARG 176 Cb 0.03 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 29.69 3isp n ARG 176 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3isp n HIS 177 N -2.63 -1.50 0.00 -1.55 8.25 0.78 -5.08 115.22 113.48 3isp n HIS 177 Ca -0.05 -2.89 0.00 0.00 -0.26 0.00 0.00 57.72 54.52 3isp n HIS 177 Cb 0.66 0.40 0.00 0.00 1.12 0.00 0.00 29.99 32.18 3isp n HIS 177 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3isp n ASP 180 N 2.09 0.00 -0.57 0.41 2.03 -1.26 -4.54 116.55 114.71 3isp n ASP 180 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 3isp n ASP 180 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 3isp n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3isp n GLY 181 N 5.00 -1.08 2.83 0.27 0.00 -1.26 -3.24 105.19 107.71 3isp n GLY 181 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3isp n GLY 181 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3isp n PHE 182 N -1.15 1.40 -1.53 1.61 7.35 -1.26 -4.84 117.46 119.04 3isp n PHE 182 Ca 0.00 -1.76 -0.23 0.00 -0.76 0.00 0.00 57.45 54.69 3isp n PHE 182 Cb 0.00 -1.58 -0.13 0.00 0.35 0.00 0.00 39.48 38.12 3isp n PHE 182 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3isp n THR 183 N 4.96 -0.01 0.00 -2.13 -1.04 -1.20 -4.63 114.28 110.22 3isp n THR 183 Ca 0.43 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3isp n THR 183 Cb 0.22 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3isp n THR 183 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3isp n ALA 184 N 12.83 1.10 0.02 2.41 0.00 -1.26 0.11 120.51 135.72 3isp n ALA 184 Ca 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 3isp n ALA 184 Cb 0.30 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 3isp n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isp h ALA 185 N 1.55 0.41 0.00 0.00 0.00 -1.99 -3.33 119.26 115.89 3isp h ALA 185 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 3isp h ALA 185 Cb 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3isp h ALA 185 CO 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 179.25 179.82 3isp n ALA 186 N -2.57 4.85 0.42 0.00 0.00 0.30 -4.51 120.51 119.00 3isp n ALA 186 Ca -0.06 -0.99 -0.18 0.00 0.00 0.00 0.00 53.44 52.21 3isp n ALA 186 Cb 0.76 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3isp n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isp h ALA 187 N 2.75 -1.07 0.00 0.00 0.00 -1.78 -3.07 119.26 116.08 3isp h ALA 187 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3isp h ALA 187 Cb 1.13 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3isp h ALA 187 CO 0.17 -1.05 -1.36 0.00 0.00 0.00 0.00 179.25 177.01 3isp n ALA 188 N -2.62 3.42 0.84 0.00 0.00 -1.26 -4.10 120.51 116.79 3isp n ALA 188 Ca -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 53.44 52.85 3isp n ALA 188 Cb 0.43 -0.86 0.14 0.00 0.00 0.00 0.00 19.45 19.16 3isp n ALA 188 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3isp n LYS 189 N -2.02 0.42 -5.17 0.00 3.00 -1.24 -4.49 118.16 108.66 3isp n LYS 189 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 3isp n LYS 189 Cb 0.47 -1.17 -0.16 0.00 0.00 0.00 0.00 35.03 34.17 3isp n LYS 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3isp s ALA 190 N -2.00 1.96 0.26 3.14 0.00 -1.16 -4.94 121.76 119.02 3isp s ALA 190 Ca 0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3isp s ALA 190 Cb 0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 3isp s ALA 190 CO 0.05 0.46 1.05 -2.14 0.00 0.00 0.00 175.76 175.18 3isp s PRO 191 N -0.45 4.70 0.00 0.00 0.02 -1.26 -4.92 135.00 133.09 3isp s PRO 191 Ca 0.06 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.82 3isp s PRO 191 Cb -0.10 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3isp s PRO 191 CO 0.00 0.29 -0.14 -1.54 -0.33 0.00 0.00 177.00 175.28 3isp s SER 192 N -0.88 1.61 0.33 2.53 1.04 0.27 -1.89 113.70 116.71 3isp s SER 192 Ca 0.44 -0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 3isp s SER 192 Cb -0.30 -0.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.58 3isp s SER 192 CO 0.38 0.14 0.73 -0.76 0.98 0.00 0.00 173.24 174.70 3isp s LEU 193 N -0.50 4.02 0.00 2.42 1.43 -0.10 -0.80 118.68 125.15 3isp s LEU 193 Ca 0.04 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3isp s LEU 193 Cb -0.06 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.14 3isp s LEU 193 CO -0.00 -0.24 0.30 0.00 0.23 0.00 0.00 176.35 176.64 3isp n ALA 194 N -0.56 -0.48 -0.00 4.21 0.00 -0.67 -4.66 120.51 118.34 3isp n ALA 194 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 3isp n ALA 194 Cb 0.53 0.54 -0.01 0.00 0.00 0.00 0.00 19.45 20.52 3isp n ALA 194 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3isp n TRP 195 N -0.26 0.00 -2.79 0.00 7.02 -1.26 -2.49 117.44 117.67 3isp n TRP 195 Ca -0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.36 3isp n TRP 195 Cb 0.27 -0.07 0.06 0.00 -2.42 0.00 0.00 31.31 29.15 3isp n TRP 195 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3isp n ASN 196 N -3.15 -2.28 0.00 -0.99 2.85 -1.26 -4.63 115.26 105.80 3isp n ASN 196 Ca -0.04 -3.46 0.00 0.00 -0.11 0.00 0.00 54.58 50.97 3isp n ASN 196 Cb 0.47 1.64 0.00 0.00 1.24 0.00 0.00 39.78 43.12 3isp n ASN 196 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3isp n PRO 217 N 0.92 0.00 -3.76 1.20 -0.02 -1.26 -5.14 135.00 126.94 3isp n PRO 217 Ca 0.09 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.34 3isp n PRO 217 Cb 0.66 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.97 3isp n PRO 217 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3isp s THR 218 N 0.00 0.35 -0.13 3.45 -1.32 -1.26 0.97 115.64 117.70 3isp s THR 218 Ca 0.00 0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 3isp s THR 218 Cb 0.00 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 3isp s THR 218 CO 0.00 0.20 0.43 -1.00 -2.21 0.00 0.00 174.62 172.04 3isp s HIS 219 N 1.98 3.50 -0.36 9.09 3.76 0.02 -4.95 115.29 128.32 3isp s HIS 219 Ca 0.04 0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 55.58 3isp s HIS 219 Cb -0.13 -2.49 -0.00 0.00 1.11 0.00 0.00 32.58 31.07 3isp s HIS 219 CO -0.05 0.19 0.48 -0.06 -0.85 0.00 0.00 174.74 174.44 3isp s PHE 220 N 0.59 3.18 -0.35 1.40 0.40 -1.26 -1.67 117.98 120.27 3isp s PHE 220 Ca 0.23 0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3isp s PHE 220 Cb -0.14 -2.89 0.13 0.00 0.51 0.00 0.00 43.02 40.63 3isp s PHE 220 CO 0.08 -0.55 0.20 0.08 0.70 0.00 0.00 175.22 175.73 3isp s VAL 221 N 2.30 0.22 0.00 -0.44 1.01 -1.04 -4.99 120.40 117.47 3isp s VAL 221 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.53 3isp s VAL 221 Cb -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3isp s VAL 221 CO 0.13 -0.93 0.00 -2.65 0.00 0.00 0.00 175.10 171.65 3isp n PRO 222 N 4.22 2.83 0.00 2.72 -0.02 -1.26 -3.60 135.00 139.89 3isp n PRO 222 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3isp n PRO 222 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 3isp n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3isp n THR 223 N 0.00 0.00 0.00 3.45 -2.24 -1.26 -2.60 114.28 111.63 3isp n THR 223 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3isp n THR 223 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3isp n THR 223 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3isp n THR 224 N 0.00 0.00 0.66 4.28 -1.04 -1.26 -4.32 114.28 112.60 3isp n THR 224 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3isp n THR 224 Cb 0.00 -0.05 0.46 0.00 -1.82 0.00 0.00 70.33 68.92 3isp n THR 224 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3isp n GLU 225 N -1.32 0.19 -0.06 -2.82 0.00 -1.26 -2.03 120.64 113.34 3isp n GLU 225 Ca 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 57.16 57.28 3isp n GLU 225 Cb 0.04 -1.74 -0.05 0.00 0.00 0.00 0.00 31.44 29.69 3isp n GLU 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3isp n GLY 226 N 1.10 -0.16 0.48 -1.84 0.00 -1.26 -2.43 105.19 101.07 3isp n GLY 226 Ca 0.05 -0.07 0.29 0.00 0.00 0.00 0.00 46.02 46.29 3isp n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3isp h PHE 227 N -0.08 0.00 0.21 1.61 3.57 -1.56 2.34 116.94 123.03 3isp h PHE 227 Ca -0.26 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.92 3isp h PHE 227 Cb 1.36 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.13 3isp h PHE 227 CO 0.00 0.00 -1.48 0.00 -2.23 0.00 0.00 178.31 174.60 3isp h THR 228 N 0.00 1.17 -0.27 4.41 1.03 -1.58 -3.29 112.91 114.39 3isp h THR 228 Ca 0.43 -2.59 -0.09 0.00 -0.01 0.00 0.00 66.41 64.16 3isp h THR 228 Cb 1.83 2.94 -0.01 0.00 -1.07 0.00 0.00 68.15 71.84 3isp h THR 228 CO -0.00 0.80 -0.20 0.00 -0.01 0.00 0.00 175.52 176.11 3isp h ALA 229 N 0.11 1.15 0.89 0.00 0.00 0.44 -1.19 119.26 120.64 3isp h ALA 229 Ca -0.28 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3isp h ALA 229 Cb 2.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3isp h ALA 229 CO 0.21 0.54 -0.50 0.00 0.00 0.00 0.00 179.25 179.50 3isp h ALA 230 N 1.34 -1.32 -0.83 0.00 0.00 0.35 -1.70 119.26 117.09 3isp h ALA 230 Ca 0.07 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3isp h ALA 230 Cb 0.61 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3isp h ALA 230 CO 0.04 -1.25 0.51 0.00 0.00 0.00 0.00 179.25 178.55 3isp h ALA 231 N -1.25 1.15 -0.31 0.00 0.00 -1.60 -0.01 119.26 117.23 3isp h ALA 231 Ca -0.12 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3isp h ALA 231 Cb 1.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3isp h ALA 231 CO 0.15 0.25 0.21 -0.09 0.00 0.00 0.00 179.25 179.77 3isp h ARG 232 N 0.93 0.34 -1.23 0.00 1.12 -1.18 -1.85 114.38 112.52 3isp h ARG 232 Ca 0.37 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 59.05 3isp h ARG 232 Cb 0.18 -0.08 -0.09 0.00 -0.01 0.00 0.00 29.97 29.97 3isp h ARG 232 CO -0.17 0.23 0.20 0.00 -3.11 0.00 0.00 179.97 177.12 3isp n ALA 233 N -2.50 3.78 -2.63 2.80 0.00 -0.05 -4.82 120.51 117.09 3isp n ALA 233 Ca 0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 3isp n ALA 233 Cb 0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 3isp n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isp n GLY 234 N 0.29 -0.49 0.00 0.00 0.00 -0.70 -4.78 105.19 99.51 3isp n GLY 234 Ca 0.17 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3isp n GLY 234 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3isp n LEU 235 N -2.74 0.49 0.00 0.99 0.00 -1.00 -4.82 117.00 109.91 3isp n LEU 235 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 56.01 55.99 3isp n LEU 235 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 43.42 43.70 3isp n LEU 235 CO 0.13 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.24 3isp n GLY 236 N 1.50 0.50 3.46 -3.96 0.00 -1.26 -4.66 105.19 100.77 3isp n GLY 236 Ca 0.05 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3isp n GLY 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3isp s TRP 237 N -2.00 2.54 0.25 1.61 1.48 -0.79 -4.58 118.94 117.46 3isp s TRP 237 Ca 0.00 -0.27 -0.10 0.00 -1.06 0.00 0.00 56.10 54.68 3isp s TRP 237 Cb 0.00 -1.44 -0.01 0.00 -1.16 0.00 0.00 33.47 30.86 3isp s TRP 237 CO 0.00 0.27 0.43 0.20 -4.06 0.00 0.00 176.95 173.79 3isp s GLY 238 N -1.56 0.81 -0.30 3.67 0.00 0.33 -0.93 107.32 109.34 3isp s GLY 238 Ca 0.15 -1.09 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 3isp s GLY 238 CO 0.06 -0.80 0.80 1.06 0.00 0.00 0.00 173.10 174.22 3isp s MET 239 N -3.89 3.99 0.03 2.90 -1.94 -1.26 -1.30 119.30 117.84 3isp s MET 239 Ca 0.26 0.64 0.08 0.00 -1.71 0.00 0.00 55.69 54.96 3isp s MET 239 Cb 0.01 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 3isp s MET 239 CO 0.11 -0.66 -0.23 -0.06 -0.01 0.00 0.00 175.02 174.17 3isp s PHE 240 N 2.95 2.42 0.25 -0.03 0.08 -0.55 -4.91 117.98 118.19 3isp s PHE 240 Ca 0.33 -0.35 -0.31 0.00 0.12 0.00 0.00 56.93 56.72 3isp s PHE 240 Cb -0.14 -1.44 -0.14 0.00 -0.57 0.00 0.00 43.02 40.73 3isp s PHE 240 CO 0.12 0.15 1.29 -2.30 -0.10 0.00 0.00 175.22 174.37 3isp n PRO 241 N 1.83 1.78 -0.20 0.24 -0.02 -1.26 -0.09 135.00 137.27 3isp n PRO 241 Ca -0.17 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3isp n PRO 241 Cb 0.52 -2.20 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 3isp n PRO 241 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3isp h GLU 242 N 3.49 0.11 -0.77 -0.52 4.81 0.21 0.13 114.58 122.03 3isp h GLU 242 Ca -0.44 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3isp h GLU 242 Cb 1.30 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3isp h GLU 242 CO 0.71 0.07 0.51 -0.22 -0.73 0.00 0.00 179.01 179.35 3isp h LYS 243 N 0.11 1.01 -0.14 1.92 3.64 -1.89 0.24 116.57 121.46 3isp h LYS 243 Ca 0.32 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 3isp h LYS 243 Cb 0.51 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3isp h LYS 243 CO -0.52 0.67 -0.51 -0.07 -2.27 0.00 0.00 179.45 176.74 3isp h LEU 244 N 1.04 0.69 0.00 5.20 3.38 -1.67 -3.13 115.31 120.82 3isp h LEU 244 Ca 0.28 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3isp h LEU 244 Cb -0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3isp h LEU 244 CO -0.06 1.19 0.00 0.00 0.09 0.00 0.00 178.44 179.65 3isp n ALA 245 N -2.55 2.50 0.00 1.53 0.00 0.35 -3.98 120.51 118.36 3isp n ALA 245 Ca -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 3isp n ALA 245 Cb 0.60 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 3isp n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isp h ALA 246 N 3.66 -0.97 -0.17 0.00 0.00 -0.91 -3.16 119.26 117.71 3isp h ALA 246 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3isp h ALA 246 Cb 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3isp h ALA 246 CO 0.00 -0.97 -0.09 1.03 0.00 0.00 0.00 179.25 179.22 3isp h SER 247 N -0.00 -0.29 -0.43 0.00 0.87 -1.78 -2.23 113.55 109.68 3isp h SER 247 Ca -0.00 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3isp h SER 247 Cb 0.00 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3isp h SER 247 CO 0.00 -0.12 0.28 -0.65 -0.53 0.00 0.00 176.83 175.82 3isp h PRO 248 N -0.07 0.49 -0.54 2.24 0.11 -1.80 0.60 132.00 133.03 3isp h PRO 248 Ca 0.10 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 3isp h PRO 248 Cb 0.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3isp h PRO 248 CO -0.22 0.33 0.10 -0.07 -0.21 0.00 0.00 178.00 177.92 3isp h LEU 249 N 0.51 0.80 -0.02 2.35 3.38 -1.36 0.65 115.31 121.60 3isp h LEU 249 Ca 0.17 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 3isp h LEU 249 Cb 0.05 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.61 3isp h LEU 249 CO -0.04 0.80 -0.97 0.00 0.09 0.00 0.00 178.44 178.32 3isp h ALA 250 N 1.30 0.15 -0.50 1.53 0.00 -0.83 -3.11 119.26 117.79 3isp h ALA 250 Ca 0.17 -0.67 0.09 0.00 0.00 0.00 0.00 54.91 54.50 3isp h ALA 250 Cb 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3isp h ALA 250 CO 0.00 0.66 0.07 -0.44 0.00 0.00 0.00 179.25 179.54 3isp h ASP 251 N 0.38 -0.06 0.00 0.00 5.19 0.47 -3.46 116.42 118.93 3isp h ASP 251 Ca -0.12 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3isp h ASP 251 Cb 1.63 0.15 0.00 0.00 0.18 0.00 0.00 39.33 41.29 3isp h ASP 251 CO 0.19 -0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.92 3isp n GLY 252 N -1.29 0.79 0.16 2.75 0.00 0.21 -4.97 105.19 102.83 3isp n GLY 252 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3isp n GLY 252 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3isp h SER 253 N 0.00 0.00 -3.33 1.61 0.02 -1.29 -3.45 113.55 107.12 3isp h SER 253 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3isp h SER 253 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 3isp h SER 253 CO 0.00 0.52 -0.73 -0.36 -1.14 0.00 0.00 176.83 175.12 3isp s PHE 254 N -3.59 2.71 0.05 3.45 0.08 -0.79 -4.24 117.98 115.65 3isp s PHE 254 Ca -0.01 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.90 3isp s PHE 254 Cb 0.12 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 3isp s PHE 254 CO 0.73 0.46 -0.11 0.14 -0.10 0.00 0.00 175.22 176.34 3isp s VAL 255 N -1.42 0.84 0.16 -0.44 -7.23 -0.90 -4.29 120.40 107.12 3isp s VAL 255 Ca 0.23 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 3isp s VAL 255 Cb -0.10 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 3isp s VAL 255 CO 0.14 -0.27 1.08 -0.13 -0.31 0.00 0.00 175.10 175.61 3isp s ARG 256 N -1.60 4.61 0.04 4.82 0.52 -1.26 -2.86 118.95 123.22 3isp s ARG 256 Ca -0.05 1.67 -0.31 0.00 -0.52 0.00 0.00 55.73 56.51 3isp s ARG 256 Cb -0.10 -3.30 -0.18 0.00 0.52 0.00 0.00 34.95 31.89 3isp s ARG 256 CO 0.01 0.09 1.42 0.28 0.02 0.00 0.00 175.30 177.12 3isp h VAL 257 N 3.82 0.25 -3.51 3.52 2.07 -1.80 -3.48 116.25 117.11 3isp h VAL 257 Ca -0.44 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.72 3isp h VAL 257 Cb 1.21 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3isp h VAL 257 CO 0.73 0.02 -0.06 0.00 0.02 0.00 0.00 177.57 178.27 3isp n ASP 259 N -1.66 3.28 -4.76 0.00 8.00 -1.26 -4.66 116.55 115.49 3isp n ASP 259 Ca -0.01 -2.07 -0.39 0.00 0.71 0.00 0.00 54.79 53.03 3isp n ASP 259 Cb 0.48 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3isp n ASP 259 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3isp s ILE 260 N -1.33 2.27 0.00 0.53 1.01 -1.26 -5.05 121.20 117.36 3isp s ILE 260 Ca 0.39 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 3isp s ILE 260 Cb 0.22 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 3isp s ILE 260 CO 0.25 0.02 0.11 -1.38 0.00 0.00 0.00 174.94 173.94 3isp s HIS 261 N -1.27 0.07 -0.03 3.97 -3.43 -1.26 -4.31 115.29 109.03 3isp s HIS 261 Ca 0.63 -0.18 0.06 0.00 -0.80 0.00 0.00 55.06 54.77 3isp s HIS 261 Cb -0.41 -0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 30.65 3isp s HIS 261 CO 0.51 -0.26 -0.21 -1.17 -2.00 0.00 0.00 174.74 171.61 3isp s LEU 262 N -1.33 2.32 -0.17 5.38 0.20 -0.96 -4.96 118.68 119.17 3isp s LEU 262 Ca -0.14 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.33 3isp s LEU 262 Cb -0.08 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 3isp s LEU 262 CO 0.01 0.33 -0.20 -1.81 -0.29 0.00 0.00 176.35 174.38 3isp s ASP 263 N -0.63 3.09 -0.28 3.68 1.11 -1.26 -0.70 116.67 121.68 3isp s ASP 263 Ca 0.10 -0.62 -0.02 0.00 0.18 0.00 0.00 52.55 52.19 3isp s ASP 263 Cb -0.10 -1.45 0.04 0.00 1.07 0.00 0.00 42.92 42.48 3isp s ASP 263 CO -0.00 0.02 -0.03 -0.69 1.18 0.00 0.00 175.17 175.65 3isp s VAL 264 N 1.16 2.93 0.14 -1.27 1.01 0.30 -4.92 120.40 119.75 3isp s VAL 264 Ca 0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 3isp s VAL 264 Cb -0.14 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 3isp s VAL 264 CO -0.09 0.02 1.53 -2.84 0.00 0.00 0.00 175.10 173.72 3isp s PRO 265 N 1.28 4.24 0.12 2.72 0.02 -1.26 -0.22 135.00 141.90 3isp s PRO 265 Ca -0.03 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.26 3isp s PRO 265 Cb -0.18 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 3isp s PRO 265 CO -0.02 -0.57 0.30 -0.51 -0.33 0.00 0.00 177.00 175.87 3isp s LEU 266 N 1.24 4.30 -0.01 -5.54 1.43 0.10 -4.54 118.68 115.66 3isp s LEU 266 Ca 0.69 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 3isp s LEU 266 Cb -0.42 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 3isp s LEU 266 CO 0.31 0.08 -0.04 -0.31 0.23 0.00 0.00 176.35 176.62 3isp s TYR 267 N -1.64 0.43 -0.33 0.29 2.02 0.25 -1.52 117.35 116.85 3isp s TYR 267 Ca 0.38 -0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.77 3isp s TYR 267 Cb -0.12 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 3isp s TYR 267 CO 0.27 -0.02 0.75 -0.46 -1.57 0.00 0.00 175.55 174.52 3isp s TRP 268 N -0.01 3.16 -0.08 2.71 -0.11 0.12 -0.06 118.94 124.67 3isp s TRP 268 Ca 0.01 0.64 0.03 0.00 1.22 0.00 0.00 56.10 57.99 3isp s TRP 268 Cb -0.03 -3.25 -0.02 0.00 -1.50 0.00 0.00 33.47 28.67 3isp s TRP 268 CO -0.00 -0.63 -0.17 -0.65 -4.62 0.00 0.00 176.95 170.89 3isp s GLN 269 N 2.94 2.84 0.29 5.86 -0.21 -0.33 0.20 119.66 131.26 3isp s GLN 269 Ca 0.30 -0.75 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 3isp s GLN 269 Cb -0.14 -2.42 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 3isp s GLN 269 CO 0.14 0.41 0.44 0.00 -2.12 0.00 0.00 175.29 174.17 3isp n TRP 271 N -0.46 2.60 -1.59 0.00 8.01 -0.62 0.19 117.44 125.57 3isp n TRP 271 Ca -0.00 0.10 -0.41 0.00 -1.31 0.00 0.00 57.50 55.87 3isp n TRP 271 Cb 0.62 -2.64 -0.01 0.00 -2.01 0.00 0.00 31.31 27.27 3isp n TRP 271 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 3isp n LYS 272 N 3.93 2.93 -4.19 -0.99 4.81 0.29 -4.57 118.16 120.35 3isp n LYS 272 Ca 0.16 -2.45 -0.19 0.00 -0.87 0.00 0.00 58.31 54.97 3isp n LYS 272 Cb 0.33 -3.15 -0.12 0.00 0.02 0.00 0.00 35.03 32.11 3isp n LYS 272 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3isp s LEU 273 N 1.68 2.30 -0.33 3.14 1.43 -1.26 -4.95 118.68 120.70 3isp s LEU 273 Ca 0.52 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 3isp s LEU 273 Cb 0.15 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.80 3isp s LEU 273 CO -0.07 -0.08 0.46 -1.81 0.23 0.00 0.00 176.35 175.08 3isp s ASP 274 N -1.89 6.29 -0.21 2.29 1.01 -1.26 -4.94 116.67 117.95 3isp s ASP 274 Ca 0.01 0.02 -0.17 0.00 0.71 0.00 0.00 52.55 53.12 3isp s ASP 274 Cb -0.09 -2.24 0.06 0.00 1.01 0.00 0.00 42.92 41.65 3isp s ASP 274 CO 0.03 -0.39 0.55 -0.55 0.21 0.00 0.00 175.17 175.02 3isp s SER 275 N 1.72 -0.62 0.26 0.27 0.15 -1.26 -5.06 113.70 109.15 3isp s SER 275 Ca 0.17 1.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.94 3isp s SER 275 Cb -0.16 1.12 0.45 0.00 -1.71 0.00 0.00 66.02 65.72 3isp s SER 275 CO 0.12 -0.20 1.82 -0.65 1.20 0.00 0.00 173.24 175.53 3isp h PRO 276 N 5.80 0.84 -0.35 5.44 0.11 -1.99 -1.75 132.00 140.10 3isp h PRO 276 Ca -0.30 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 3isp h PRO 276 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3isp h PRO 276 CO 0.18 0.56 -0.12 0.82 -0.21 0.00 0.00 178.00 179.22 3isp h ILE 277 N 0.87 1.28 -0.64 4.15 2.04 -1.99 -1.19 117.51 122.02 3isp h ILE 277 Ca 0.43 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3isp h ILE 277 Cb 0.40 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3isp h ILE 277 CO -0.25 0.40 0.38 0.40 0.00 0.00 0.00 178.15 179.08 3isp h ILE 278 N 0.49 1.18 -0.18 -0.67 2.04 -1.88 -2.61 117.51 115.89 3isp h ILE 278 Ca 0.08 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 3isp h ILE 278 Cb 0.64 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3isp h ILE 278 CO 0.04 0.19 -0.64 0.00 0.00 0.00 0.00 178.15 177.74 3isp h ALA 279 N 1.54 0.32 -0.20 1.87 0.00 -1.14 -1.40 119.26 120.25 3isp h ALA 279 Ca 0.23 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3isp h ALA 279 Cb -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3isp h ALA 279 CO -0.04 0.60 -0.08 -0.09 0.00 0.00 0.00 179.25 179.64 3isp h ARG 280 N 0.47 -0.04 -0.10 0.00 2.43 -1.00 -0.84 114.38 115.30 3isp h ARG 280 Ca -0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3isp h ARG 280 Cb 1.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3isp h ARG 280 CO 0.14 -0.03 -0.29 0.82 -1.51 0.00 0.00 179.97 179.10 3isp h ILE 281 N -0.04 1.40 -0.84 1.20 2.04 -1.46 0.13 117.51 119.93 3isp h ILE 281 Ca 0.10 -1.63 0.19 0.00 1.00 0.00 0.00 64.86 64.52 3isp h ILE 281 Cb 0.20 2.18 -0.11 0.00 -0.74 0.00 0.00 36.82 38.35 3isp h ILE 281 CO -0.23 0.47 0.35 0.74 0.00 0.00 0.00 178.15 179.49 3isp h THR 282 N -0.08 0.55 -0.17 -0.27 2.02 -1.19 0.18 112.91 113.96 3isp h THR 282 Ca -0.01 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3isp h THR 282 Cb 0.91 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3isp h THR 282 CO 0.06 0.08 -0.07 0.44 0.37 0.00 0.00 175.52 176.40 3isp h ASP 283 N 0.43 0.36 -0.33 4.18 3.32 -0.78 -1.36 116.42 122.23 3isp h ASP 283 Ca 0.50 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3isp h ASP 283 Cb 0.87 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3isp h ASP 283 CO -0.48 0.68 0.16 0.74 -1.72 0.00 0.00 179.24 178.63 3isp h THR 284 N 0.04 0.99 -0.28 0.35 2.02 0.18 -2.29 112.91 113.91 3isp h THR 284 Ca 0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3isp h THR 284 Cb 0.54 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3isp h THR 284 CO 0.02 0.06 0.12 0.58 0.37 0.00 0.00 175.52 176.68 3isp h VAL 285 N 0.34 1.16 -0.62 3.16 2.07 -0.65 -0.84 116.25 120.87 3isp h VAL 285 Ca 0.14 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.32 3isp h VAL 285 Cb 0.05 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3isp h VAL 285 CO -0.09 0.17 0.43 0.03 0.02 0.00 0.00 177.57 178.12 3isp h ARG 286 N 0.31 0.18 0.21 1.57 3.08 -1.08 -2.13 114.38 116.52 3isp h ARG 286 Ca 0.09 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 3isp h ARG 286 Cb 0.15 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.18 3isp h ARG 286 CO -0.01 0.12 -1.58 0.00 -1.07 0.00 0.00 179.97 177.43 3isp h ALA 287 N 1.70 0.03 0.00 0.04 0.00 -0.77 -2.96 119.26 117.29 3isp h ALA 287 Ca 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3isp h ALA 287 Cb 0.91 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3isp h ALA 287 CO -0.05 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.09 3isp n ALA 288 N -2.76 1.20 -0.11 0.00 0.00 -0.40 -1.86 120.51 116.59 3isp n ALA 288 Ca -0.19 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3isp n ALA 288 Cb 1.08 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 19.56 3isp n ALA 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isp n ALA 289 N -1.61 2.29 -0.36 0.00 0.00 -0.85 -4.65 120.51 115.33 3isp n ALA 289 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 53.44 52.38 3isp n ALA 289 Cb 0.06 -0.61 0.20 0.00 0.00 0.00 0.00 19.45 19.10 3isp n ALA 289 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3isp h SER 290 N 2.95 0.97 -0.00 0.00 4.64 -1.32 -2.09 113.55 118.69 3isp h SER 290 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3isp h SER 290 Cb 0.81 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3isp h SER 290 CO 0.00 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3isp n GLY 291 N -1.35 -0.97 3.75 -0.77 0.00 -1.26 -4.81 105.19 99.78 3isp n GLY 291 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3isp n GLY 291 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3isp s LEU 292 N -1.70 2.77 0.50 0.99 1.02 -0.79 -5.01 118.68 116.47 3isp s LEU 292 Ca 0.33 1.70 -0.22 0.00 0.02 0.00 0.00 54.13 55.96 3isp s LEU 292 Cb 0.15 -4.31 -0.06 0.00 0.02 0.00 0.00 46.19 41.99 3isp s LEU 292 CO 0.26 -2.22 1.21 -0.31 0.02 0.00 0.00 176.35 175.31 3isp s TYR 293 N -2.92 2.68 -0.26 0.29 2.02 -1.11 -4.78 117.35 113.26 3isp s TYR 293 Ca 0.62 1.50 -0.41 0.00 -0.37 0.00 0.00 57.07 58.41 3isp s TYR 293 Cb -0.17 -3.47 -0.16 0.00 -0.40 0.00 0.00 41.96 37.75 3isp s TYR 293 CO 0.56 -1.88 1.67 -2.13 -1.57 0.00 0.00 175.55 172.20 3isp n ARG 294 N -0.80 0.98 0.00 -0.62 0.00 -1.26 -1.60 116.66 113.36 3isp n ARG 294 Ca 0.09 0.36 0.14 0.00 -0.00 0.00 0.00 57.85 58.43 3isp n ARG 294 Cb 0.48 -2.01 0.47 0.00 0.00 0.00 0.00 32.46 31.40 3isp n ARG 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04