#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5u n ALA 6 N 0.00 0.00 -3.33 0.00 0.00 -1.26 -4.30 120.51 111.62 3i5u n ALA 6 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i5u n ALA 6 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i5u n ALA 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i5u n HIS 7 N 7.26 0.63 -0.13 0.00 -0.00 -1.26 -5.01 115.22 116.72 3i5u n HIS 7 Ca 0.00 -3.69 -0.07 0.00 0.46 0.00 0.00 57.72 54.42 3i5u n HIS 7 Cb 0.00 -0.29 0.10 0.00 -0.12 0.00 0.00 29.99 29.67 3i5u n HIS 7 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 3i5u h ILE 8 N 2.94 1.26 0.00 3.57 2.04 -2.00 -3.49 117.51 121.83 3i5u h ILE 8 Ca 0.14 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3i5u h ILE 8 Cb 0.83 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3i5u h ILE 8 CO 0.54 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.71 3i5u n GLY 9 N -0.43 3.62 0.33 5.37 0.00 -1.26 -4.76 105.19 108.07 3i5u n GLY 9 Ca 0.02 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.95 3i5u n GLY 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5u h LEU 10 N 0.00 0.51 -0.62 0.99 3.38 -1.98 0.20 115.31 117.80 3i5u h LEU 10 Ca 0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3i5u h LEU 10 Cb 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3i5u h LEU 10 CO 0.00 0.04 0.27 -0.09 0.09 0.00 0.00 178.44 178.75 3i5u h ARG 11 N 0.49 0.91 -0.05 1.13 2.43 -1.96 -1.64 114.38 115.69 3i5u h ARG 11 Ca 0.61 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 59.49 3i5u h ARG 11 Cb 1.18 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3i5u h ARG 11 CO -0.51 0.76 -0.61 0.00 -1.51 0.00 0.00 179.97 178.10 3i5u h ALA 12 N 1.11 0.90 0.00 2.80 0.00 -1.47 -2.48 119.26 120.11 3i5u h ALA 12 Ca 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3i5u h ALA 12 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i5u h ALA 12 CO -0.02 0.74 -0.08 1.25 0.00 0.00 0.00 179.25 181.14 3i5u h LEU 13 N 0.12 0.00 -3.27 0.00 5.85 -0.58 -2.46 115.31 114.97 3i5u h LEU 13 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i5u h LEU 13 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3i5u h LEU 13 CO 0.09 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 3i5u n ALA 14 N -2.15 3.13 -1.91 1.25 0.00 -0.66 -5.01 120.51 115.16 3i5u n ALA 14 Ca -0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 53.44 51.08 3i5u n ALA 14 Cb 0.31 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3i5u n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i5u s ASP 15 N -1.35 6.76 -0.03 0.00 2.15 -0.93 -4.92 116.67 118.35 3i5u s ASP 15 Ca 0.45 2.57 0.09 0.00 0.43 0.00 0.00 52.55 56.08 3i5u s ASP 15 Cb 0.33 -2.62 -0.13 0.00 -0.30 0.00 0.00 42.92 40.20 3i5u s ASP 15 CO 0.14 -0.61 0.15 0.18 -0.17 0.00 0.00 175.17 174.86 3i5u n LEU 16 N 2.26 0.00 -0.21 -1.34 4.77 -1.26 -4.63 117.00 116.58 3i5u n LEU 16 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 3i5u n LEU 16 Cb 0.41 0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3i5u n LEU 16 CO 0.59 0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.69 3i5u h ALA 17 N 0.71 0.83 0.29 -1.18 0.00 -1.99 -1.88 119.26 116.04 3i5u h ALA 17 Ca -0.07 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i5u h ALA 17 Cb 0.75 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i5u h ALA 17 CO 0.00 -0.22 -0.14 1.15 0.00 0.00 0.00 179.25 180.04 3i5u h THR 18 N 0.38 0.63 -0.72 0.00 2.02 -1.99 -0.32 112.91 112.91 3i5u h THR 18 Ca 0.33 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3i5u h THR 18 Cb 0.45 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3i5u h THR 18 CO -0.35 0.13 0.47 1.55 0.37 0.00 0.00 175.52 177.69 3i5u h PRO 19 N -0.86 0.96 -0.55 6.66 0.13 -1.81 -0.11 132.00 136.41 3i5u h PRO 19 Ca -0.04 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 3i5u h PRO 19 Cb 0.52 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 3i5u h PRO 19 CO 0.07 0.64 0.00 0.52 -0.23 0.00 0.00 178.00 179.00 3i5u h MET 20 N 0.98 0.93 -0.73 0.86 2.86 -1.38 -0.27 114.93 118.19 3i5u h MET 20 Ca 0.26 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3i5u h MET 20 Cb -0.10 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3i5u h MET 20 CO -0.06 0.92 0.38 0.00 1.06 0.00 0.00 176.91 179.22 3i5u h ALA 21 N 1.14 0.94 -0.20 6.32 0.00 -0.01 0.66 119.26 128.11 3i5u h ALA 21 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i5u h ALA 21 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i5u h ALA 21 CO 0.02 0.48 0.05 0.28 0.00 0.00 0.00 179.25 180.08 3i5u h VAL 22 N 1.02 1.20 -0.84 0.00 2.07 -0.60 -0.36 116.25 118.74 3i5u h VAL 22 Ca 0.26 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3i5u h VAL 22 Cb 0.07 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3i5u h VAL 22 CO -0.04 0.20 0.53 0.03 0.02 0.00 0.00 177.57 178.31 3i5u h ARG 23 N 0.13 0.95 -0.49 1.57 3.08 -0.65 0.97 114.38 119.94 3i5u h ARG 23 Ca 0.06 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3i5u h ARG 23 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3i5u h ARG 23 CO 0.00 0.63 -0.13 0.28 -1.07 0.00 0.00 179.97 179.68 3i5u h VAL 24 N 0.98 1.27 0.15 2.04 2.07 -0.68 -0.71 116.25 121.37 3i5u h VAL 24 Ca 0.36 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3i5u h VAL 24 Cb 0.12 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3i5u h VAL 24 CO -0.16 0.44 -0.07 0.00 0.02 0.00 0.00 177.57 177.80 3i5u h ALA 25 N 1.01 -0.20 -0.46 1.67 0.00 -0.18 0.74 119.26 121.83 3i5u h ALA 25 Ca 0.13 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3i5u h ALA 25 Cb 0.67 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3i5u h ALA 25 CO 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 3i5u h ALA 26 N 0.65 0.42 -0.46 0.00 0.00 -0.65 0.66 119.26 119.88 3i5u h ALA 26 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i5u h ALA 26 Cb 0.16 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i5u h ALA 26 CO 0.03 -0.39 0.12 1.15 0.00 0.00 0.00 179.25 180.16 3i5u h THR 27 N 0.10 1.20 -0.00 0.00 2.02 -0.66 -2.23 112.91 113.34 3i5u h THR 27 Ca 0.23 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3i5u h THR 27 Cb 0.34 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3i5u h THR 27 CO -0.39 0.26 -0.14 0.18 0.37 0.00 0.00 175.52 175.79 3i5u n LEU 28 N -4.31 0.53 -2.05 2.58 4.77 0.21 -4.92 117.00 113.81 3i5u n LEU 28 Ca 0.03 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.81 3i5u n LEU 28 Cb 0.20 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3i5u n LEU 28 CO 0.39 0.10 -0.22 0.54 -1.33 0.00 0.00 177.39 176.87 3i5u n ARG 29 N -0.96 -1.64 -0.32 3.23 1.74 0.12 -4.78 116.66 114.05 3i5u n ARG 29 Ca 0.13 1.02 0.20 0.00 -0.77 0.00 0.00 57.85 58.43 3i5u n ARG 29 Cb 0.29 -5.55 0.41 0.00 -1.02 0.00 0.00 32.46 26.59 3i5u n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i5u h VAL 30 N 0.00 0.22 -0.41 1.55 2.07 -1.82 0.15 116.25 118.01 3i5u h VAL 30 Ca -0.43 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3i5u h VAL 30 Cb 1.30 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3i5u h VAL 30 CO 0.55 0.04 0.24 0.00 0.02 0.00 0.00 177.57 178.42 3i5u h ALA 31 N 1.87 0.53 -0.19 1.67 0.00 -1.86 -0.80 119.26 120.48 3i5u h ALA 31 Ca 0.67 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.45 3i5u h ALA 31 Cb 1.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3i5u h ALA 31 CO -0.69 0.04 -0.19 -0.44 0.00 0.00 0.00 179.25 177.97 3i5u h ASP 32 N 0.54 0.32 -0.43 0.00 3.32 -1.02 -1.35 116.42 117.80 3i5u h ASP 32 Ca 0.15 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3i5u h ASP 32 Cb 0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3i5u h ASP 32 CO -0.03 0.52 -0.28 0.45 -1.72 0.00 0.00 179.24 178.19 3i5u h HIS 33 N 0.30 1.11 -0.34 4.55 3.86 -0.88 -1.53 115.15 122.22 3i5u h HIS 33 Ca 0.05 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3i5u h HIS 33 Cb 0.51 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3i5u h HIS 33 CO 0.01 1.12 0.21 0.82 0.86 0.00 0.00 177.93 180.94 3i5u h ILE 34 N 0.78 1.11 -0.36 2.45 2.04 -0.63 -1.30 117.51 121.61 3i5u h ILE 34 Ca 0.09 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3i5u h ILE 34 Cb 0.87 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3i5u h ILE 34 CO 0.08 0.11 0.01 0.00 0.00 0.00 0.00 178.15 178.35 3i5u h ALA 35 N 1.09 1.34 0.00 1.87 0.00 -1.17 -1.55 119.26 120.84 3i5u h ALA 35 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i5u h ALA 35 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i5u h ALA 35 CO -0.02 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3i5u n ALA 36 N -2.48 2.25 -0.04 0.00 0.00 -0.58 -4.83 120.51 114.83 3i5u n ALA 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i5u n ALA 36 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i5u n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 37 N 0.25 0.40 3.58 0.00 0.00 -0.58 -5.05 105.19 103.79 3i5u n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i5u n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i5u s HIS 38 N -2.14 3.12 -0.01 1.61 3.76 -0.54 -4.90 115.29 116.19 3i5u s HIS 38 Ca 0.00 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 3i5u s HIS 38 Cb 0.00 -3.35 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 3i5u s HIS 38 CO 0.00 -0.71 0.04 0.54 -0.85 0.00 0.00 174.74 173.76 3i5u n ARG 39 N 6.34 0.70 -2.90 1.40 1.74 -1.26 -3.31 116.66 119.36 3i5u n ARG 39 Ca 0.02 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 3i5u n ARG 39 Cb 0.48 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 3i5u n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i5u s THR 40 N -2.14 4.92 0.26 0.55 -4.23 -1.26 -0.59 115.64 113.15 3i5u s THR 40 Ca -0.01 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.66 3i5u s THR 40 Cb 0.01 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.29 3i5u s THR 40 CO 0.10 -0.64 1.87 0.00 -0.54 0.00 0.00 174.62 175.41 3i5u h ALA 41 N 0.79 1.31 -0.32 3.99 0.00 -1.94 -1.05 119.26 122.04 3i5u h ALA 41 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i5u h ALA 41 Cb 1.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3i5u h ALA 41 CO 0.63 0.40 0.20 0.00 0.00 0.00 0.00 179.25 180.48 3i5u h ALA 42 N 1.43 0.40 0.68 0.00 0.00 -1.94 -0.58 119.26 119.26 3i5u h ALA 42 Ca 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3i5u h ALA 42 Cb 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i5u h ALA 42 CO -0.17 -0.12 -0.33 0.93 0.00 0.00 0.00 179.25 179.57 3i5u h GLU 43 N 0.42 -0.89 -0.58 0.00 5.08 -1.81 -1.92 114.58 114.89 3i5u h GLU 43 Ca 0.11 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3i5u h GLU 43 Cb -0.02 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.32 3i5u h GLU 43 CO -0.02 -0.56 -0.13 0.82 -1.00 0.00 0.00 179.01 178.11 3i5u h ILE 44 N -1.09 0.43 -0.94 3.13 1.08 -1.19 0.41 117.51 119.33 3i5u h ILE 44 Ca -0.09 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 3i5u h ILE 44 Cb 0.74 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 3i5u h ILE 44 CO 0.15 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 178.23 3i5u h ALA 45 N 1.58 1.38 -0.31 1.87 0.00 -1.08 0.79 119.26 123.48 3i5u h ALA 45 Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3i5u h ALA 45 Cb 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i5u h ALA 45 CO -0.59 0.54 -0.05 1.03 0.00 0.00 0.00 179.25 180.18 3i5u h SER 46 N 1.20 0.59 -0.13 0.00 0.87 -0.22 0.62 113.55 116.48 3i5u h SER 46 Ca 0.36 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3i5u h SER 46 Cb -0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3i5u h SER 46 CO -0.10 0.80 -0.06 0.00 -0.53 0.00 0.00 176.83 176.93 3i5u h ALA 47 N 0.81 1.39 0.00 6.23 0.00 -0.42 -3.06 119.26 124.21 3i5u h ALA 47 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i5u h ALA 47 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i5u h ALA 47 CO 0.03 0.42 -1.14 0.00 0.00 0.00 0.00 179.25 178.55 3i5u n ALA 48 N -2.48 4.12 -2.69 0.00 0.00 0.22 -4.99 120.51 114.69 3i5u n ALA 48 Ca 0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 3i5u n ALA 48 Cb 0.27 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 18.91 3i5u n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 49 N 1.44 0.64 3.65 0.00 0.00 0.19 -5.03 105.19 106.07 3i5u n GLY 49 Ca 0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 3i5u n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u s ALA 50 N -3.02 3.25 -0.15 4.61 0.00 0.19 -5.03 121.76 121.60 3i5u s ALA 50 Ca 0.11 -1.97 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 3i5u s ALA 50 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3i5u s ALA 50 CO 0.14 0.04 1.30 -1.58 0.00 0.00 0.00 175.76 175.66 3i5u s HIS 51 N -2.52 2.77 0.13 0.00 5.65 -1.26 -4.56 115.29 115.50 3i5u s HIS 51 Ca 0.35 0.94 -0.32 0.00 0.25 0.00 0.00 55.06 56.28 3i5u s HIS 51 Cb 0.00 -3.54 -0.09 0.00 -1.18 0.00 0.00 32.58 27.77 3i5u s HIS 51 CO 0.20 -1.89 1.56 0.00 -0.65 0.00 0.00 174.74 173.95 3i5u h ALA 52 N 8.31 -0.76 -0.55 1.58 0.00 -1.91 0.35 119.26 126.29 3i5u h ALA 52 Ca -0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3i5u h ALA 52 Cb 1.11 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 3i5u h ALA 52 CO 0.97 -1.03 0.34 -0.44 0.00 0.00 0.00 179.25 179.09 3i5u h ASP 53 N -0.47 0.57 -0.47 0.00 3.32 -1.93 0.19 116.42 117.63 3i5u h ASP 53 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3i5u h ASP 53 Cb 0.63 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3i5u h ASP 53 CO -0.52 0.41 0.14 0.28 -1.72 0.00 0.00 179.24 177.82 3i5u h SER 54 N 0.69 0.70 -0.52 6.45 0.02 -1.89 -1.36 113.55 117.63 3i5u h SER 54 Ca 0.21 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3i5u h SER 54 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3i5u h SER 54 CO -0.07 0.73 0.24 0.25 -1.14 0.00 0.00 176.83 176.83 3i5u h LEU 55 N 0.63 0.70 -0.81 5.07 5.85 0.00 -1.01 115.31 125.73 3i5u h LEU 55 Ca 0.15 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3i5u h LEU 55 Cb 0.29 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3i5u h LEU 55 CO -0.00 0.65 0.50 -0.78 -0.34 0.00 0.00 178.44 178.46 3i5u h ASP 56 N 0.70 0.78 -0.25 1.25 3.58 -0.75 0.94 116.42 122.68 3i5u h ASP 56 Ca 0.18 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 3i5u h ASP 56 Cb 0.15 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3i5u h ASP 56 CO -0.02 0.50 -0.04 0.03 -2.88 0.00 0.00 179.24 176.83 3i5u h ARG 57 N 0.91 0.59 -0.29 0.28 3.08 -0.70 -0.32 114.38 117.93 3i5u h ARG 57 Ca 0.35 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3i5u h ARG 57 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3i5u h ARG 57 CO -0.17 0.65 -0.07 1.25 -1.07 0.00 0.00 179.97 180.56 3i5u h LEU 58 N 0.56 0.56 -0.55 3.04 5.85 0.13 -2.81 115.31 122.09 3i5u h LEU 58 Ca 0.11 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3i5u h LEU 58 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3i5u h LEU 58 CO 0.02 0.79 0.23 -0.07 -0.34 0.00 0.00 178.44 179.07 3i5u h LEU 59 N 0.32 0.75 -1.58 2.25 3.38 -0.50 -1.45 115.31 118.48 3i5u h LEU 59 Ca 0.07 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3i5u h LEU 59 Cb 0.55 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3i5u h LEU 59 CO 0.03 0.71 0.37 0.03 0.09 0.00 0.00 178.44 179.66 3i5u h ARG 60 N 0.74 0.51 -0.17 1.13 3.08 -1.04 0.37 114.38 119.01 3i5u h ARG 60 Ca 0.18 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 60.00 3i5u h ARG 60 Cb 0.19 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i5u h ARG 60 CO -0.02 0.34 -0.70 1.25 -1.07 0.00 0.00 179.97 179.77 3i5u h HIS 61 N 0.52 1.03 0.00 3.04 2.76 -1.16 -2.62 115.15 118.71 3i5u h HIS 61 Ca 0.24 -0.44 -0.05 0.00 -2.20 0.00 0.00 60.37 57.92 3i5u h HIS 61 Cb 0.28 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3i5u h HIS 61 CO -0.00 1.27 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.60 3i5u h LEU 62 N 0.50 0.00 -0.11 0.26 3.38 -0.23 0.07 115.31 119.18 3i5u h LEU 62 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i5u h LEU 62 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3i5u h LEU 62 CO 0.15 0.22 0.00 0.58 0.09 0.00 0.00 178.44 179.48 3i5u h VAL 63 N 0.00 1.25 -0.77 1.22 2.07 -0.24 -0.07 116.25 119.71 3i5u h VAL 63 Ca -0.00 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3i5u h VAL 63 Cb 0.84 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3i5u h VAL 63 CO 0.03 0.23 0.51 0.00 0.02 0.00 0.00 177.57 178.36 3i5u h ALA 64 N 0.74 0.98 0.00 1.67 0.00 -1.07 -1.17 119.26 120.42 3i5u h ALA 64 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i5u h ALA 64 Cb 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i5u h ALA 64 CO 0.01 0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.84 3i5u h VAL 65 N 1.03 0.82 0.00 0.00 2.07 -0.80 -3.46 116.25 115.90 3i5u h VAL 65 Ca 0.29 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i5u h VAL 65 Cb -0.10 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i5u h VAL 65 CO -0.07 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3i5u n GLY 66 N -1.16 1.85 0.04 2.17 0.00 -0.44 -5.02 105.19 102.62 3i5u n GLY 66 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 3i5u n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5u n LEU 67 N 0.00 0.00 -4.52 0.99 4.77 -0.16 -4.38 117.00 113.70 3i5u n LEU 67 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3i5u n LEU 67 Cb 0.00 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3i5u n LEU 67 CO 0.00 0.18 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.52 3i5u s PHE 68 N -2.43 2.27 0.13 -1.77 0.08 -1.17 -2.43 117.98 112.65 3i5u s PHE 68 Ca -0.05 -0.60 0.11 0.00 0.12 0.00 0.00 56.93 56.51 3i5u s PHE 68 Cb 0.05 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3i5u s PHE 68 CO 0.46 0.45 -0.27 0.99 -0.10 0.00 0.00 175.22 176.75 3i5u s THR 69 N -2.77 2.26 -0.15 0.64 2.01 0.15 -4.48 115.64 113.30 3i5u s THR 69 Ca 0.32 -1.77 -0.06 0.00 0.31 0.00 0.00 61.69 60.50 3i5u s THR 69 Cb 0.04 -2.00 0.07 0.00 0.01 0.00 0.00 72.50 70.62 3i5u s THR 69 CO 0.15 0.08 0.32 -0.60 -0.69 0.00 0.00 174.62 173.89 3i5u s ARG 70 N -2.08 0.23 0.43 4.92 3.52 -1.26 -0.78 118.95 123.94 3i5u s ARG 70 Ca 0.14 0.81 0.04 0.00 -0.13 0.00 0.00 55.73 56.59 3i5u s ARG 70 Cb -0.10 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3i5u s ARG 70 CO 0.06 -0.25 0.61 0.16 -0.81 0.00 0.00 175.30 175.08 3i5u s ASP 71 N 2.21 5.75 0.65 -2.12 1.47 -0.62 -4.94 116.67 119.07 3i5u s ASP 71 Ca -0.02 -0.02 0.25 0.00 1.18 0.00 0.00 52.55 53.93 3i5u s ASP 71 Cb -0.11 -1.19 1.32 0.00 -0.34 0.00 0.00 42.92 42.59 3i5u s ASP 71 CO -0.10 -0.70 1.75 1.23 0.68 0.00 0.00 175.17 178.02 3i5u h GLY 72 N 0.53 0.00 1.19 2.12 0.00 -2.02 0.30 103.07 105.19 3i5u h GLY 72 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3i5u h GLY 72 CO 0.53 0.00 -0.31 -1.06 0.00 0.00 0.00 176.54 175.70 3i5u n GLN 73 N -2.96 0.13 -0.45 4.80 1.13 -1.26 -4.91 117.38 113.87 3i5u n GLN 73 Ca 0.01 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3i5u n GLN 73 Cb 0.56 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.41 3i5u n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5u n GLY 74 N 1.47 0.89 3.63 1.08 0.00 0.10 -5.06 105.19 107.31 3i5u n GLY 74 Ca 0.07 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3i5u n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5u s VAL 75 N -2.00 5.13 0.03 1.61 1.01 -1.24 -4.17 120.40 120.76 3i5u s VAL 75 Ca 0.00 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3i5u s VAL 75 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3i5u s VAL 75 CO 0.00 0.16 0.29 -0.31 0.00 0.00 0.00 175.10 175.23 3i5u s TYR 76 N 1.90 3.57 0.29 5.22 1.51 0.25 -1.60 117.35 128.49 3i5u s TYR 76 Ca 0.20 0.58 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 3i5u s TYR 76 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 3i5u s TYR 76 CO 0.09 0.59 0.16 0.20 -1.11 0.00 0.00 175.55 175.48 3i5u s GLY 77 N -1.79 1.96 0.34 0.71 0.00 0.04 -4.74 107.32 103.84 3i5u s GLY 77 Ca 0.29 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.28 3i5u s GLY 77 CO 0.17 -1.54 0.48 1.08 0.00 0.00 0.00 173.10 173.30 3i5u s LEU 78 N -3.33 3.98 0.46 0.66 1.43 -1.26 0.30 118.68 120.91 3i5u s LEU 78 Ca 0.37 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3i5u s LEU 78 Cb 0.05 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3i5u s LEU 78 CO 0.17 -0.41 0.11 0.42 0.23 0.00 0.00 176.35 176.87 3i5u s THR 79 N -2.20 1.79 0.29 5.49 -4.23 -1.02 -4.65 115.64 111.12 3i5u s THR 79 Ca 0.44 -1.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3i5u s THR 79 Cb -0.10 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.40 3i5u s THR 79 CO 0.32 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.80 3i5u h GLU 80 N 1.40 0.55 0.24 3.99 5.08 -1.91 -1.47 114.58 122.46 3i5u h GLU 80 Ca -0.43 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 3i5u h GLU 80 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i5u h GLU 80 CO 0.72 0.36 -0.12 0.35 -1.00 0.00 0.00 179.01 179.33 3i5u h PHE 81 N 0.57 -0.30 0.00 4.33 3.04 -1.89 -3.16 116.94 119.53 3i5u h PHE 81 Ca 0.56 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.51 3i5u h PHE 81 Cb 0.98 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.59 3i5u h PHE 81 CO -0.07 0.07 0.03 0.41 -2.02 0.00 0.00 178.31 176.73 3i5u n GLY 82 N 0.07 -0.33 0.21 2.40 0.00 -0.64 -1.57 105.19 105.32 3i5u n GLY 82 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3i5u n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i5u h GLU 83 N 0.00 0.39 0.00 1.61 4.39 -1.28 -2.83 114.58 116.85 3i5u h GLU 83 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3i5u h GLU 83 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3i5u h GLU 83 CO 0.00 0.75 0.00 1.04 -1.16 0.00 0.00 179.01 179.64 3i5u n GLN 84 N -4.01 0.06 0.08 2.33 6.02 -0.61 -1.52 117.38 119.74 3i5u n GLN 84 Ca -0.02 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 3i5u n GLN 84 Cb 0.51 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.29 3i5u n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i5u n LEU 85 N -1.22 0.74 -4.75 1.08 4.77 -1.07 -4.16 117.00 112.39 3i5u n LEU 85 Ca 0.02 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 3i5u n LEU 85 Cb 0.02 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3i5u n LEU 85 CO 0.03 -0.12 1.15 -0.13 -1.33 0.00 0.00 177.39 176.98 3i5u s ARG 86 N -3.32 4.20 0.55 3.23 0.52 -0.58 -4.71 118.95 118.85 3i5u s ARG 86 Ca 0.01 2.43 0.36 0.00 -0.52 0.00 0.00 55.73 58.01 3i5u s ARG 86 Cb 0.11 -3.06 1.80 0.00 0.52 0.00 0.00 34.95 34.32 3i5u s ARG 86 CO 0.79 -0.49 2.10 0.22 0.02 0.00 0.00 175.30 177.93 3i5u h ASP 87 N 4.63 0.00 -0.01 0.23 1.82 -1.90 -1.69 116.42 119.50 3i5u h ASP 87 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 3i5u h ASP 87 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 3i5u h ASP 87 CO 0.76 0.00 -0.07 -0.90 -1.61 0.00 0.00 179.24 177.42 3i5u n ASP 88 N -2.90 2.41 -4.66 2.28 5.68 -1.26 -4.90 116.55 113.20 3i5u n ASP 88 Ca -0.01 -1.76 -0.39 0.00 -0.50 0.00 0.00 54.79 52.12 3i5u n ASP 88 Cb 0.16 0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.24 3i5u n ASP 88 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3i5u n HIS 89 N 0.79 1.53 -0.34 2.11 -0.00 -0.64 -4.90 115.22 113.77 3i5u n HIS 89 Ca 0.15 0.48 0.05 0.00 0.46 0.00 0.00 57.72 58.85 3i5u n HIS 89 Cb 0.51 -2.26 0.21 0.00 -0.12 0.00 0.00 29.99 28.32 3i5u n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i5u h ALA 90 N 1.29 1.40 0.00 1.57 0.00 -1.93 -2.36 119.26 119.23 3i5u h ALA 90 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i5u h ALA 90 Cb 1.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i5u h ALA 90 CO 0.56 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.03 3i5u n ALA 91 N -2.36 2.12 -4.13 0.00 0.00 -1.26 -4.93 120.51 109.95 3i5u n ALA 91 Ca 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 3i5u n ALA 91 Cb 0.30 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 3i5u n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 92 N 0.88 -0.19 0.10 0.00 0.00 -0.89 -4.88 105.19 100.20 3i5u n GLY 92 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 3i5u n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5u h LYS 93 N -1.78 0.00 -0.70 1.61 1.79 -1.86 -3.38 116.57 112.24 3i5u h LYS 93 Ca -0.64 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 57.97 3i5u h LYS 93 Cb 1.39 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.94 3i5u h LYS 93 CO 0.67 0.39 0.19 -0.09 -1.08 0.00 0.00 179.45 179.53 3i5u h ARG 94 N 0.00 0.29 0.00 3.15 2.43 -1.85 -1.06 114.38 117.35 3i5u h ARG 94 Ca -0.15 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3i5u h ARG 94 Cb 1.64 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.12 3i5u h ARG 94 CO 0.06 0.19 -0.11 1.57 -1.51 0.00 0.00 179.97 180.17 3i5u h LYS 95 N 0.30 0.00 0.00 0.20 2.10 -1.95 -2.06 116.57 115.16 3i5u h LYS 95 Ca 0.39 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.93 3i5u h LYS 95 Cb 0.63 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 3i5u h LYS 95 CO -0.46 0.11 -0.49 -1.49 -2.00 0.00 0.00 179.45 175.12 3i5u h TRP 96 N 0.00 0.00 0.00 0.07 4.06 -1.43 -3.13 115.95 115.52 3i5u h TRP 96 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3i5u h TRP 96 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3i5u h TRP 96 CO 0.00 0.49 -0.81 1.28 -3.56 0.00 0.00 178.44 175.84 3i5u n LEU 97 N -3.85 0.68 -4.65 -4.49 4.77 -0.84 -2.84 117.00 105.78 3i5u n LEU 97 Ca -0.01 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 3i5u n LEU 97 Cb 0.52 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3i5u n LEU 97 CO 0.40 0.13 1.60 -0.62 -1.33 0.00 0.00 177.39 177.57 3i5u s ASP 98 N -3.30 6.31 0.00 -1.43 -1.08 -0.84 -4.59 116.67 111.75 3i5u s ASP 98 Ca 0.08 2.44 0.00 0.00 -0.52 0.00 0.00 52.55 54.55 3i5u s ASP 98 Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3i5u s ASP 98 CO 0.78 -1.19 0.73 0.23 0.52 0.00 0.00 175.17 176.24 3i5u n MET 99 N 7.69 0.00 0.01 4.34 2.81 -1.26 -0.88 117.12 129.83 3i5u n MET 99 Ca 0.21 0.25 0.05 0.00 -1.81 0.00 0.00 57.70 56.40 3i5u n MET 99 Cb 0.42 -1.53 -0.11 0.00 -0.71 0.00 0.00 33.22 31.29 3i5u n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i5u n ASN 100 N -1.23 0.39 -4.81 7.83 3.02 -1.26 -4.06 115.26 115.14 3i5u n ASN 100 Ca 0.00 0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.40 3i5u n ASN 100 Cb 0.03 1.04 0.06 0.00 -0.61 0.00 0.00 39.78 40.30 3i5u n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i5u s SER 101 N -5.18 5.17 0.20 6.41 1.04 -0.05 -4.85 113.70 116.45 3i5u s SER 101 Ca -0.06 1.66 -0.10 0.00 0.48 0.00 0.00 55.95 57.93 3i5u s SER 101 Cb 0.10 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.97 3i5u s SER 101 CO 0.85 -1.58 1.76 0.00 0.98 0.00 0.00 173.24 175.24 3i5u h ALA 102 N -0.81 0.76 0.00 5.32 0.00 -1.86 -0.79 119.26 121.88 3i5u h ALA 102 Ca -0.44 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 3i5u h ALA 102 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i5u h ALA 102 CO 0.56 -0.16 -0.75 0.28 0.00 0.00 0.00 179.25 179.18 3i5u h VAL 103 N 0.44 1.31 0.00 0.00 2.07 -1.89 0.17 116.25 118.35 3i5u h VAL 103 Ca 0.29 -2.78 -0.09 0.00 0.82 0.00 0.00 66.70 64.95 3i5u h VAL 103 Cb 0.32 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3i5u h VAL 103 CO -0.27 0.73 -0.41 1.23 0.02 0.00 0.00 177.57 178.88 3i5u h GLY 104 N 3.12 0.00 0.12 2.17 0.00 -1.31 -1.73 103.07 105.43 3i5u h GLY 104 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3i5u h GLY 104 CO 0.10 0.00 -0.61 -0.09 0.00 0.00 0.00 176.54 175.94 3i5u h ARG 105 N 0.00 0.05 -0.98 4.80 2.43 -1.08 -3.37 114.38 116.23 3i5u h ARG 105 Ca -0.00 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3i5u h ARG 105 Cb 0.88 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 3i5u h ARG 105 CO 0.05 1.04 0.63 0.78 -1.51 0.00 0.00 179.97 180.97 3i5u h GLY 106 N -0.83 1.49 2.00 2.80 0.00 -0.59 -2.31 103.07 105.64 3i5u h GLY 106 Ca -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3i5u h GLY 106 CO -0.05 0.29 -0.03 -0.55 0.00 0.00 0.00 176.54 176.21 3i5u h ASP 107 N 1.10 0.00 0.53 0.19 5.19 -1.47 0.44 116.42 122.39 3i5u h ASP 107 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 3i5u h ASP 107 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3i5u h ASP 107 CO -0.18 0.03 0.00 0.18 -3.12 0.00 0.00 179.24 176.15 3i5u n LEU 108 N -4.00 0.68 0.17 1.55 4.77 -0.87 -1.25 117.00 118.06 3i5u n LEU 108 Ca -0.03 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3i5u n LEU 108 Cb 0.12 -0.66 0.60 0.00 -2.33 0.00 0.00 43.42 41.15 3i5u n LEU 108 CO 0.30 -0.70 0.89 1.23 -1.33 0.00 0.00 177.39 177.78 3i5u h GLY 109 N 1.59 0.00 2.00 -0.72 0.00 -1.02 -2.29 103.07 102.63 3i5u h GLY 109 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i5u h GLY 109 CO 0.00 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 177.27 3i5u h PHE 110 N 0.00 0.00 0.00 5.60 -1.00 -1.35 -0.65 116.94 119.54 3i5u h PHE 110 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3i5u h PHE 110 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3i5u h PHE 110 CO 0.00 0.01 0.00 1.55 -1.61 0.00 0.00 178.31 178.26 3i5u n VAL 111 N -3.22 0.99 -1.02 -0.55 3.14 -0.86 -1.13 118.33 115.68 3i5u n VAL 111 Ca -0.02 0.25 0.09 0.00 -2.96 0.00 0.00 64.34 61.69 3i5u n VAL 111 Cb 0.11 -1.08 0.20 0.00 -1.06 0.00 0.00 33.84 32.01 3i5u n VAL 111 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i5u n GLU 112 N -1.37 2.10 -0.34 1.45 -0.58 -0.25 -4.75 120.64 116.89 3i5u n GLU 112 Ca 0.04 -2.69 0.16 0.00 -0.42 0.00 0.00 57.16 54.25 3i5u n GLU 112 Cb 0.09 -1.66 0.36 0.00 -0.57 0.00 0.00 31.44 29.66 3i5u n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i5u h LEU 113 N 0.88 0.67 -0.74 -4.62 6.46 -1.24 -1.36 115.31 115.35 3i5u h LEU 113 Ca 0.00 0.13 0.16 0.00 -0.12 0.00 0.00 57.88 58.04 3i5u h LEU 113 Cb 1.21 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 41.05 3i5u h LEU 113 CO 0.11 0.14 0.21 0.00 -0.62 0.00 0.00 178.44 178.27 3i5u h ALA 114 N 1.71 0.98 -1.00 1.25 0.00 -1.85 0.26 119.26 120.61 3i5u h ALA 114 Ca 0.62 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.70 3i5u h ALA 114 Cb 1.12 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3i5u h ALA 114 CO -0.46 -0.31 0.66 1.25 0.00 0.00 0.00 179.25 180.39 3i5u h HIS 115 N 0.31 1.26 -0.16 0.00 -0.00 -1.63 -0.50 115.15 114.42 3i5u h HIS 115 Ca 0.42 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.80 3i5u h HIS 115 Cb 0.69 -0.43 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3i5u h HIS 115 CO -0.24 0.79 0.02 0.77 -0.00 0.00 0.00 177.93 179.28 3i5u h SER 116 N 1.35 0.26 0.34 3.26 0.02 -0.59 -0.32 113.55 117.87 3i5u h SER 116 Ca 0.37 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3i5u h SER 116 Cb -0.15 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3i5u h SER 116 CO -0.08 0.45 -0.18 0.40 -1.14 0.00 0.00 176.83 176.29 3i5u h ILE 117 N 0.05 0.80 0.16 3.27 1.08 -0.75 0.72 117.51 122.84 3i5u h ILE 117 Ca 0.05 -0.69 -0.23 0.00 -0.39 0.00 0.00 64.86 63.60 3i5u h ILE 117 Cb 0.31 1.41 0.02 0.00 -3.07 0.00 0.00 36.82 35.49 3i5u h ILE 117 CO 0.00 0.17 -1.06 -0.09 -0.69 0.00 0.00 178.15 176.48 3i5u h ARG 118 N 0.00 0.34 0.00 2.37 2.43 -0.88 -3.40 114.38 115.23 3i5u h ARG 118 Ca -0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3i5u h ARG 118 Cb 0.39 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3i5u h ARG 118 CO 0.02 1.28 -1.35 0.25 -1.51 0.00 0.00 179.97 178.66 3i5u n THR 119 N -4.00 0.00 -0.76 0.20 -2.24 -0.15 -4.99 114.28 102.33 3i5u n THR 119 Ca -0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3i5u n THR 119 Cb 0.90 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3i5u n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5u n GLY 120 N 1.80 0.87 3.93 3.38 0.00 0.25 -5.03 105.19 110.38 3i5u n GLY 120 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3i5u n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5u s GLN 121 N -0.24 3.53 0.57 1.61 -1.52 -1.25 -4.83 119.66 117.52 3i5u s GLN 121 Ca 0.00 -0.18 -0.20 0.00 -1.95 0.00 0.00 55.36 53.02 3i5u s GLN 121 Cb 0.00 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.12 3i5u s GLN 121 CO 0.00 0.12 1.27 -1.25 -0.25 0.00 0.00 175.29 175.18 3i5u s PRO 122 N -4.16 3.06 -0.03 2.91 0.04 -1.26 -4.00 135.00 131.57 3i5u s PRO 122 Ca 0.42 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.56 3i5u s PRO 122 Cb -0.10 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.12 3i5u s PRO 122 CO 0.36 -1.18 0.73 0.00 0.04 0.00 0.00 177.00 176.94 3i5u h ALA 123 N 1.18 0.69 -0.78 8.56 0.00 -0.93 -3.39 119.26 124.59 3i5u h ALA 123 Ca -0.51 -1.39 0.18 0.00 0.00 0.00 0.00 54.91 53.20 3i5u h ALA 123 Cb 1.30 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 3i5u h ALA 123 CO 0.56 1.52 0.17 -0.92 0.00 0.00 0.00 179.25 180.59 3i5u h TYR 124 N 0.01 0.26 -0.49 0.00 5.03 -1.18 0.75 116.97 121.33 3i5u h TYR 124 Ca -0.26 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.06 3i5u h TYR 124 Cb 1.99 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 40.25 3i5u h TYR 124 CO 0.01 -0.14 0.17 -1.35 -1.32 0.00 0.00 178.16 175.52 3i5u h PRO 125 N 0.23 0.72 -0.80 1.82 0.11 -1.75 -0.13 132.00 132.20 3i5u h PRO 125 Ca 0.46 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.48 3i5u h PRO 125 Cb 0.83 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 3i5u h PRO 125 CO -0.57 0.62 0.53 0.28 -0.21 0.00 0.00 178.00 178.64 3i5u h VAL 126 N 0.71 1.15 0.09 3.15 2.07 -1.08 0.40 116.25 122.74 3i5u h VAL 126 Ca 0.17 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 3i5u h VAL 126 Cb 0.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3i5u h VAL 126 CO -0.01 0.19 -0.90 -0.09 0.02 0.00 0.00 177.57 176.77 3i5u h ARG 127 N 1.01 0.19 -0.10 1.57 2.43 -1.05 -3.39 114.38 115.04 3i5u h ARG 127 Ca 0.31 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i5u h ARG 127 Cb -0.02 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3i5u h ARG 127 CO -0.08 1.15 0.00 0.66 -1.51 0.00 0.00 179.97 180.19 3i5u n TYR 128 N -4.19 0.10 -1.35 2.20 4.02 -0.13 -4.99 117.16 112.82 3i5u n TYR 128 Ca -0.19 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.90 57.54 3i5u n TYR 128 Cb 0.77 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.04 3i5u n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5u n GLY 129 N 1.37 1.23 3.57 2.72 0.00 0.14 -4.97 105.19 109.26 3i5u n GLY 129 Ca 0.15 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 3i5u n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i5u s THR 130 N -2.43 0.00 0.88 2.61 -1.32 -1.24 -5.05 115.64 109.09 3i5u s THR 130 Ca 0.00 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.26 3i5u s THR 130 Cb 0.00 -1.21 0.12 0.00 -1.51 0.00 0.00 72.50 69.90 3i5u s THR 130 CO 0.00 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.56 3i5u s SER 131 N -2.49 3.65 0.06 8.08 1.04 -1.26 -3.85 113.70 118.93 3i5u s SER 131 Ca 0.08 1.46 -0.26 0.00 0.48 0.00 0.00 55.95 57.72 3i5u s SER 131 Cb -0.01 -2.15 -0.17 0.00 0.10 0.00 0.00 66.02 63.80 3i5u s SER 131 CO -0.06 -2.53 1.58 0.15 0.98 0.00 0.00 173.24 173.37 3i5u h PHE 132 N -1.47 -0.22 -0.38 5.02 3.57 -1.95 -0.86 116.94 120.64 3i5u h PHE 132 Ca -0.49 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 3i5u h PHE 132 Cb 1.28 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3i5u h PHE 132 CO 0.43 -0.04 0.01 -1.49 -2.23 0.00 0.00 178.31 174.99 3i5u h TRP 133 N -0.36 0.63 -0.57 0.41 -0.00 -1.95 -1.08 115.95 113.03 3i5u h TRP 133 Ca -0.02 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.89 58.70 3i5u h TRP 133 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.24 3i5u h TRP 133 CO -0.03 0.60 -0.02 0.93 -0.00 0.00 0.00 178.44 179.92 3i5u h GLU 134 N 0.58 1.01 -0.70 0.49 5.08 -1.90 0.22 114.58 119.35 3i5u h GLU 134 Ca 0.12 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3i5u h GLU 134 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3i5u h GLU 134 CO 0.01 1.01 0.36 0.22 -1.00 0.00 0.00 179.01 179.62 3i5u h ASP 135 N 0.90 0.89 -0.13 1.42 3.58 -0.41 -2.70 116.42 119.98 3i5u h ASP 135 Ca 0.16 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 3i5u h ASP 135 Cb 0.57 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3i5u h ASP 135 CO 0.03 0.75 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.63 3i5u h LEU 136 N 0.97 0.61 -1.72 2.28 3.38 -1.01 -3.06 115.31 116.75 3i5u h LEU 136 Ca 0.24 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3i5u h LEU 136 Cb 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i5u h LEU 136 CO -0.04 1.11 0.16 1.23 0.09 0.00 0.00 178.44 181.00 3i5u h GLY 137 N 0.14 0.00 -0.47 0.83 0.00 -0.32 -1.47 103.07 101.78 3i5u h GLY 137 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3i5u h GLY 137 CO 0.09 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.49 3i5u n SER 138 N -2.51 1.89 -3.52 0.19 3.41 -1.04 -4.82 113.62 107.22 3i5u n SER 138 Ca -0.02 -1.58 -0.29 0.00 -0.26 0.00 0.00 58.87 56.72 3i5u n SER 138 Cb 0.20 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 3i5u n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i5u s ASP 139 N -0.69 2.86 0.31 4.04 -1.08 -0.55 -5.01 116.67 116.54 3i5u s ASP 139 Ca 0.08 -2.52 0.06 0.00 -0.52 0.00 0.00 52.55 49.65 3i5u s ASP 139 Cb 0.05 -0.59 0.76 0.00 -1.46 0.00 0.00 42.92 41.68 3i5u s ASP 139 CO 0.07 -0.26 1.77 -0.65 0.52 0.00 0.00 175.17 176.61 3i5u h PRO 140 N 6.61 0.72 -0.01 4.34 0.11 -1.88 0.17 132.00 142.06 3i5u h PRO 140 Ca 0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3i5u h PRO 140 Cb 0.94 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i5u h PRO 140 CO 0.35 0.47 0.00 0.28 -0.21 0.00 0.00 178.00 178.90 3i5u h VAL 141 N 0.74 1.13 -0.51 3.15 2.07 -1.95 0.17 116.25 121.06 3i5u h VAL 141 Ca 0.59 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.76 3i5u h VAL 141 Cb 0.95 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3i5u h VAL 141 CO -0.40 0.10 0.28 0.25 0.02 0.00 0.00 177.57 177.82 3i5u h LEU 142 N -0.15 0.42 -1.25 2.57 6.46 -1.67 -1.54 115.31 120.15 3i5u h LEU 142 Ca 0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3i5u h LEU 142 Cb 0.16 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 3i5u h LEU 142 CO -0.00 0.29 0.11 -1.28 -0.62 0.00 0.00 178.44 176.94 3i5u h SER 143 N 0.55 0.57 -0.35 1.25 0.87 -0.73 -2.11 113.55 113.60 3i5u h SER 143 Ca 0.21 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 3i5u h SER 143 Cb 0.08 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3i5u h SER 143 CO -0.13 0.57 -0.05 0.00 -0.53 0.00 0.00 176.83 176.69 3i5u h ALA 144 N 1.51 0.47 -1.00 6.23 0.00 0.12 -1.89 119.26 124.70 3i5u h ALA 144 Ca 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3i5u h ALA 144 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i5u h ALA 144 CO -0.00 0.29 0.66 0.66 0.00 0.00 0.00 179.25 180.86 3i5u h SER 145 N 0.44 1.14 -0.80 0.00 4.64 -0.87 -0.99 113.55 117.11 3i5u h SER 145 Ca 0.09 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3i5u h SER 145 Cb 0.53 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3i5u h SER 145 CO 0.03 0.82 0.44 0.15 -0.87 0.00 0.00 176.83 177.39 3i5u h PHE 146 N 1.34 1.10 -0.59 4.77 3.57 -1.14 -1.07 116.94 124.92 3i5u h PHE 146 Ca 0.37 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3i5u h PHE 146 Cb -0.13 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.23 3i5u h PHE 146 CO -0.00 0.77 0.32 -0.44 -2.23 0.00 0.00 178.31 176.74 3i5u h ASP 147 N 1.12 0.74 -0.92 0.41 3.32 -0.44 -0.09 116.42 120.56 3i5u h ASP 147 Ca 0.28 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i5u h ASP 147 Cb 0.04 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3i5u h ASP 147 CO -0.04 0.62 0.54 0.74 -1.72 0.00 0.00 179.24 179.38 3i5u h THR 148 N 0.80 1.25 0.07 0.35 2.02 -0.89 -0.29 112.91 116.23 3i5u h THR 148 Ca 0.21 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3i5u h THR 148 Cb 0.05 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3i5u h THR 148 CO -0.03 0.27 -0.03 -0.07 0.37 0.00 0.00 175.52 176.02 3i5u h LEU 149 N 1.27 -0.08 -1.62 2.58 4.07 -0.50 -0.50 115.31 120.53 3i5u h LEU 149 Ca 0.33 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 3i5u h LEU 149 Cb -0.04 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3i5u h LEU 149 CO -0.06 0.14 -0.17 0.24 -1.08 0.00 0.00 178.44 177.52 3i5u h MET 150 N -0.30 0.03 -0.38 1.13 2.86 -0.83 -0.56 114.93 116.88 3i5u h MET 150 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3i5u h MET 150 Cb 0.26 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3i5u h MET 150 CO 0.02 0.20 0.06 1.03 1.06 0.00 0.00 176.91 179.28 3i5u h SER 151 N 0.03 0.60 -0.50 1.22 0.87 -0.68 -2.81 113.55 112.29 3i5u h SER 151 Ca 0.00 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 3i5u h SER 151 Cb 0.31 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3i5u h SER 151 CO 0.02 0.71 0.09 -0.74 -0.53 0.00 0.00 176.83 176.37 3i5u h HIS 152 N 0.47 0.93 -0.01 2.24 6.17 -0.00 -2.36 115.15 122.59 3i5u h HIS 152 Ca 0.12 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.09 3i5u h HIS 152 Cb 0.36 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 3i5u h HIS 152 CO 0.02 0.80 0.01 1.12 0.71 0.00 0.00 177.93 180.59 3i5u h HIS 153 N 0.84 0.00 -0.15 5.26 -0.00 -0.89 -2.14 115.15 118.06 3i5u h HIS 153 Ca 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.40 3i5u h HIS 153 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3i5u h HIS 153 CO 0.02 0.00 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.42 3i5u h LEU 154 N 0.00 0.66 -0.67 6.12 3.38 -1.23 -0.38 115.31 123.19 3i5u h LEU 154 Ca 0.00 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 3i5u h LEU 154 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3i5u h LEU 154 CO -0.00 1.15 0.09 -0.33 0.09 0.00 0.00 178.44 179.44 3i5u h GLU 155 N 0.22 1.12 -0.06 1.13 5.08 -1.43 0.17 114.58 120.81 3i5u h GLU 155 Ca -0.02 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3i5u h GLU 155 Cb 1.09 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3i5u h GLU 155 CO 0.10 1.03 -0.00 -0.07 -1.00 0.00 0.00 179.01 179.07 3i5u h LEU 156 N 1.04 0.10 0.00 1.33 4.07 -1.37 -3.35 115.31 117.13 3i5u h LEU 156 Ca 0.20 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3i5u h LEU 156 Cb 0.47 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3i5u h LEU 156 CO 0.02 0.40 -1.41 0.47 -1.08 0.00 0.00 178.44 176.84 3i5u n ASP 157 N -4.86 1.05 -0.75 -0.43 8.00 -0.16 -4.67 116.55 114.74 3i5u n ASP 157 Ca -0.07 -0.31 0.04 0.00 0.71 0.00 0.00 54.79 55.17 3i5u n ASP 157 Cb 0.20 1.49 0.21 0.00 -0.02 0.00 0.00 41.12 43.00 3i5u n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i5u n TYR 158 N -1.83 0.65 -1.68 1.24 4.02 0.60 -4.03 117.16 116.13 3i5u n TYR 158 Ca -0.01 -1.22 -0.47 0.00 -0.01 0.00 0.00 57.90 56.18 3i5u n TYR 158 Cb 0.37 -0.33 -0.04 0.00 -0.02 0.00 0.00 39.34 39.32 3i5u n TYR 158 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i5u n THR 159 N -1.01 0.58 -1.42 -0.72 -2.24 -1.24 -1.75 114.28 106.49 3i5u n THR 159 Ca 0.24 -0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 61.84 3i5u n THR 159 Cb 0.86 -1.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.14 3i5u n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5u n GLY 160 N 4.38 0.73 0.21 3.38 0.00 -1.26 -4.91 105.19 107.73 3i5u n GLY 160 Ca 0.22 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.69 3i5u n GLY 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i5u h ILE 161 N 0.00 0.00 -0.63 -0.61 2.10 -1.74 -2.73 117.51 113.89 3i5u h ILE 161 Ca -0.15 -0.17 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 3i5u h ILE 161 Cb 0.61 0.93 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 3i5u h ILE 161 CO 0.21 0.00 0.34 0.00 -1.08 0.00 0.00 178.15 177.62 3i5u h ALA 162 N 2.09 0.81 0.00 0.18 0.00 -1.90 -3.11 119.26 117.33 3i5u h ALA 162 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3i5u h ALA 162 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i5u h ALA 162 CO 0.00 0.34 -1.17 0.00 0.00 0.00 0.00 179.25 178.42 3i5u h ALA 163 N 1.16 0.63 0.00 0.00 0.00 -1.90 -3.35 119.26 115.80 3i5u h ALA 163 Ca 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i5u h ALA 163 Cb 0.06 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i5u h ALA 163 CO -0.03 1.01 0.00 1.63 0.00 0.00 0.00 179.25 181.85 3i5u n LYS 164 N -3.07 0.35 -3.48 0.00 5.02 -1.17 -4.68 118.16 111.12 3i5u n LYS 164 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 3i5u n LYS 164 Cb 0.86 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 34.57 3i5u n LYS 164 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3i5u s TYR 165 N -2.00 -0.57 -1.24 2.13 6.14 -1.25 -5.03 117.35 115.53 3i5u s TYR 165 Ca 0.09 0.68 -0.14 0.00 0.64 0.00 0.00 57.07 58.35 3i5u s TYR 165 Cb 0.04 0.49 0.15 0.00 0.42 0.00 0.00 41.96 43.06 3i5u s TYR 165 CO 0.07 -0.69 1.57 -3.47 0.64 0.00 0.00 175.55 173.67 3i5u n ASP 166 N 0.26 5.12 0.01 4.32 2.03 -1.26 -4.80 116.55 122.23 3i5u n ASP 166 Ca -0.17 -2.98 -0.13 0.00 0.52 0.00 0.00 54.79 52.03 3i5u n ASP 166 Cb 0.61 -1.59 -0.10 0.00 -0.72 0.00 0.00 41.12 39.32 3i5u n ASP 166 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3i5u h TRP 167 N 6.97 -0.05 -1.23 -0.67 4.06 -1.95 -3.23 115.95 119.85 3i5u h TRP 167 Ca 0.36 -0.00 0.41 0.00 2.06 0.00 0.00 58.89 61.71 3i5u h TRP 167 Cb 0.83 0.02 -0.13 0.00 -1.00 0.00 0.00 29.16 28.87 3i5u h TRP 167 CO 1.18 0.41 0.77 0.00 -3.56 0.00 0.00 178.44 177.24 3i5u h ALA 168 N 0.41 2.55 0.00 1.49 0.00 -1.93 0.53 119.26 122.31 3i5u h ALA 168 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i5u h ALA 168 Cb 0.48 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i5u h ALA 168 CO 0.01 -1.18 -0.08 0.00 0.00 0.00 0.00 179.25 178.00 3i5u h ALA 169 N 1.67 1.53 -0.29 0.00 0.00 -1.97 -2.74 119.26 117.46 3i5u h ALA 169 Ca 0.80 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.54 3i5u h ALA 169 Cb 2.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 3i5u h ALA 169 CO -0.47 0.10 -0.21 -0.07 0.00 0.00 0.00 179.25 178.60 3i5u h LEU 170 N 0.00 0.54 0.00 0.00 3.38 -0.08 -3.47 115.31 115.68 3i5u h LEU 170 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i5u h LEU 170 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i5u h LEU 170 CO 0.01 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.91 3i5u n GLY 171 N -0.41 1.87 2.79 0.83 0.00 -1.04 -3.70 105.19 105.54 3i5u n GLY 171 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3i5u n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i5u s HIS 172 N 0.00 0.61 -0.14 1.61 5.65 -1.25 -1.74 115.29 120.03 3i5u s HIS 172 Ca 0.00 -0.13 -0.02 0.00 0.25 0.00 0.00 55.06 55.16 3i5u s HIS 172 Cb 0.00 -0.71 -0.02 0.00 -1.18 0.00 0.00 32.58 30.66 3i5u s HIS 172 CO 0.00 -0.27 -0.08 0.08 -0.65 0.00 0.00 174.74 173.81 3i5u s VAL 173 N 1.68 3.49 -0.29 0.89 1.01 0.02 -0.44 120.40 126.76 3i5u s VAL 173 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3i5u s VAL 173 Cb -0.13 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3i5u s VAL 173 CO -0.04 0.51 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 3i5u s VAL 174 N 0.30 4.82 -0.76 2.92 1.01 0.34 -0.83 120.40 128.20 3i5u s VAL 174 Ca -0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3i5u s VAL 174 Cb -0.15 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 33.01 3i5u s VAL 174 CO 0.04 0.18 0.87 -0.62 0.00 0.00 0.00 175.10 175.58 3i5u s ASP 175 N 1.67 6.46 -0.23 3.32 -1.08 0.59 -0.88 116.67 126.53 3i5u s ASP 175 Ca 0.06 -1.89 -0.29 0.00 -0.52 0.00 0.00 52.55 49.91 3i5u s ASP 175 Cb -0.16 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 3i5u s ASP 175 CO 0.07 -1.00 1.50 -0.69 0.52 0.00 0.00 175.17 175.58 3i5u s VAL 176 N 2.20 3.87 -0.36 1.11 1.01 -0.33 -1.51 120.40 126.38 3i5u s VAL 176 Ca 0.20 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.17 3i5u s VAL 176 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3i5u s VAL 176 CO -0.02 -0.32 0.02 0.61 0.00 0.00 0.00 175.10 175.39 3i5u n GLY 177 N 4.44 0.23 0.00 4.51 0.00 0.24 -4.44 105.19 110.17 3i5u n GLY 177 Ca 0.17 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.52 3i5u n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 178 N -0.99 -0.35 7.00 -0.02 0.00 -0.62 -4.83 105.19 105.38 3i5u n GLY 178 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i5u n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 179 N -0.18 1.74 0.53 -0.02 0.00 -1.26 -2.07 105.19 103.92 3i5u n GLY 179 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3i5u n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i5u n SER 180 N -1.58 1.06 -0.04 1.61 3.41 -1.26 -4.24 113.62 112.58 3i5u n SER 180 Ca 0.00 -1.92 -0.01 0.00 -0.26 0.00 0.00 58.87 56.68 3i5u n SER 180 Cb 0.00 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3i5u n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5u n GLY 181 N 0.05 0.44 0.31 5.00 0.00 -0.88 -3.60 105.19 106.51 3i5u n GLY 181 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i5u n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i5u h GLY 182 N 0.00 1.24 0.46 -0.02 0.00 -1.88 0.37 103.07 103.23 3i5u h GLY 182 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3i5u h GLY 182 CO 0.02 0.24 -0.04 -2.00 0.00 0.00 0.00 176.54 174.76 3i5u h LEU 183 N 0.92 0.06 -0.61 3.11 5.85 -1.92 -2.40 115.31 120.33 3i5u h LEU 183 Ca 0.36 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3i5u h LEU 183 Cb 0.18 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3i5u h LEU 183 CO -0.17 0.64 0.31 0.25 -0.34 0.00 0.00 178.44 179.13 3i5u h LEU 184 N -0.51 0.43 -0.56 2.25 5.85 -1.87 0.26 115.31 121.16 3i5u h LEU 184 Ca -0.00 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3i5u h LEU 184 Cb 0.63 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 3i5u h LEU 184 CO 0.01 0.28 0.21 -1.28 -0.34 0.00 0.00 178.44 177.32 3i5u h SER 185 N 0.57 0.22 -0.44 1.25 0.87 -0.93 0.58 113.55 115.67 3i5u h SER 185 Ca 0.28 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 3i5u h SER 185 Cb 0.21 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3i5u h SER 185 CO -0.20 0.14 0.22 0.00 -0.53 0.00 0.00 176.83 176.47 3i5u h ALA 186 N 1.38 0.56 -0.26 6.23 0.00 -0.63 0.13 119.26 126.66 3i5u h ALA 186 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i5u h ALA 186 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i5u h ALA 186 CO -0.28 0.11 0.15 -0.07 0.00 0.00 0.00 179.25 179.16 3i5u h LEU 187 N 0.57 0.33 -0.90 0.00 4.07 -0.22 -2.62 115.31 116.54 3i5u h LEU 187 Ca 0.15 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.92 3i5u h LEU 187 Cb 0.09 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3i5u h LEU 187 CO -0.02 0.32 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.18 3i5u h LEU 188 N 0.32 0.30 -1.21 1.67 3.38 -0.76 -1.67 115.31 117.35 3i5u h LEU 188 Ca 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3i5u h LEU 188 Cb 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3i5u h LEU 188 CO -0.02 0.68 -0.38 0.74 0.09 0.00 0.00 178.44 179.55 3i5u h THR 189 N 0.24 1.28 0.00 0.22 2.02 -0.81 -2.92 112.91 112.94 3i5u h THR 189 Ca 0.02 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.87 3i5u h THR 189 Cb 0.83 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3i5u h THR 189 CO 0.07 0.38 -0.72 0.00 0.37 0.00 0.00 175.52 175.62 3i5u h ALA 190 N 1.59 0.57 -2.87 6.16 0.00 -1.19 -3.41 119.26 120.12 3i5u h ALA 190 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3i5u h ALA 190 Cb 0.69 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.08 3i5u h ALA 190 CO 0.05 0.00 -0.77 -1.01 0.00 0.00 0.00 179.25 177.52 3i5u s HIS 191 N -3.23 1.76 -0.25 0.00 3.76 -0.65 -5.02 115.29 111.65 3i5u s HIS 191 Ca 0.04 -2.32 0.15 0.00 -0.15 0.00 0.00 55.06 52.79 3i5u s HIS 191 Cb 0.12 -1.67 0.82 0.00 1.11 0.00 0.00 32.58 32.96 3i5u s HIS 191 CO 0.74 -0.78 1.42 0.39 -0.85 0.00 0.00 174.74 175.66 3i5u n GLU 192 N 3.49 0.10 -0.17 1.40 1.02 -1.24 -1.40 120.64 123.84 3i5u n GLU 192 Ca 0.12 0.58 0.06 0.00 -0.02 0.00 0.00 57.16 57.89 3i5u n GLU 192 Cb 0.36 -1.93 0.15 0.00 -0.02 0.00 0.00 31.44 30.01 3i5u n GLU 192 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i5u n ASP 193 N -2.04 2.92 -4.88 1.62 8.00 -1.26 -4.97 116.55 115.93 3i5u n ASP 193 Ca -0.01 -1.97 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 3i5u n ASP 193 Cb 0.13 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 3i5u n ASP 193 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i5u s LEU 194 N -1.00 4.27 0.09 0.64 2.96 -0.49 -4.93 118.68 120.22 3i5u s LEU 194 Ca 0.24 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 3i5u s LEU 194 Cb 0.13 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 3i5u s LEU 194 CO 0.17 0.06 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.23 3i5u s SER 195 N -2.16 1.19 0.36 3.68 1.04 -0.71 -4.91 113.70 112.19 3i5u s SER 195 Ca 0.40 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 3i5u s SER 195 Cb -0.13 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.09 3i5u s SER 195 CO 0.21 -0.33 0.69 0.61 0.98 0.00 0.00 173.24 175.40 3i5u n GLY 196 N 0.52 1.20 3.21 7.32 0.00 -0.76 -0.80 105.19 115.89 3i5u n GLY 196 Ca -0.16 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 3i5u n GLY 196 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i5u s THR 197 N -2.25 -0.01 -0.18 2.61 -1.32 -0.01 -2.25 115.64 112.23 3i5u s THR 197 Ca 0.16 0.05 -0.19 0.00 -1.21 0.00 0.00 61.69 60.50 3i5u s THR 197 Cb -0.04 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.42 3i5u s THR 197 CO 0.12 0.02 0.52 -0.69 -2.21 0.00 0.00 174.62 172.37 3i5u s VAL 198 N 0.66 5.12 -0.24 5.08 1.01 -0.03 -0.30 120.40 131.70 3i5u s VAL 198 Ca -0.04 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 3i5u s VAL 198 Cb -0.05 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3i5u s VAL 198 CO -0.04 0.21 -0.05 -0.22 0.00 0.00 0.00 175.10 175.00 3i5u s LEU 199 N 1.36 3.13 0.00 3.92 1.98 -0.57 -0.79 118.68 127.71 3i5u s LEU 199 Ca 0.25 -0.75 -0.02 0.00 -2.89 0.00 0.00 54.13 50.72 3i5u s LEU 199 Cb -0.15 -1.69 0.01 0.00 0.66 0.00 0.00 46.19 45.02 3i5u s LEU 199 CO 0.10 -0.11 0.13 -0.67 -1.89 0.00 0.00 176.35 173.91 3i5u n ASP 200 N 4.71 -0.37 -4.89 3.68 -0.08 -1.03 0.82 116.55 119.39 3i5u n ASP 200 Ca -0.17 -1.27 -0.30 0.00 -1.51 0.00 0.00 54.79 51.54 3i5u n ASP 200 Cb 0.48 0.63 0.07 0.00 2.34 0.00 0.00 41.12 44.63 3i5u n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i5u s LEU 201 N 0.00 2.71 0.22 -2.67 1.43 -1.25 -1.20 118.68 117.92 3i5u s LEU 201 Ca 0.03 0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 3i5u s LEU 201 Cb -0.01 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.78 3i5u s LEU 201 CO 0.02 -1.61 1.55 1.56 0.23 0.00 0.00 176.35 178.10 3i5u h GLN 202 N -0.85 -0.01 0.00 1.70 4.20 -1.94 -1.04 115.11 117.18 3i5u h GLN 202 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3i5u h GLN 202 Cb 1.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 3i5u h GLN 202 CO 0.65 -0.01 -0.00 0.78 -0.67 0.00 0.00 178.83 179.58 3i5u h GLY 203 N -0.01 -1.22 0.94 3.46 0.00 -1.96 -0.41 103.07 103.87 3i5u h GLY 203 Ca 0.31 0.52 0.05 0.00 0.00 0.00 0.00 47.33 48.21 3i5u h GLY 203 CO -0.97 -0.46 0.59 -2.55 0.00 0.00 0.00 176.54 173.15 3i5u h PRO 204 N -0.01 1.07 -0.18 4.80 0.11 -1.84 -2.23 132.00 133.73 3i5u h PRO 204 Ca -0.00 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.06 3i5u h PRO 204 Cb 0.01 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3i5u h PRO 204 CO -0.00 0.71 0.06 0.00 -0.21 0.00 0.00 178.00 178.56 3i5u h ALA 205 N 1.48 0.19 -0.81 -0.75 0.00 -1.08 0.47 119.26 118.77 3i5u h ALA 205 Ca 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3i5u h ALA 205 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3i5u h ALA 205 CO -0.12 -0.37 0.41 0.66 0.00 0.00 0.00 179.25 179.83 3i5u h SER 206 N 0.15 1.03 -0.59 0.00 4.64 -0.79 0.55 113.55 118.53 3i5u h SER 206 Ca 0.08 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3i5u h SER 206 Cb 0.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3i5u h SER 206 CO -0.08 0.85 0.13 0.00 -0.87 0.00 0.00 176.83 176.86 3i5u h ALA 207 N 1.32 0.78 -0.51 5.18 0.00 -0.75 -0.29 119.26 124.99 3i5u h ALA 207 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i5u h ALA 207 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i5u h ALA 207 CO -0.04 0.50 0.34 0.00 0.00 0.00 0.00 179.25 180.05 3i5u h ALA 208 N 1.03 0.65 -0.12 0.00 0.00 0.65 -1.71 119.26 119.76 3i5u h ALA 208 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i5u h ALA 208 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i5u h ALA 208 CO 0.00 0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.62 3i5u h HIS 209 N 0.68 0.05 -0.85 0.00 6.17 -0.48 -0.66 115.15 120.07 3i5u h HIS 209 Ca 0.19 0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.35 3i5u h HIS 209 Cb -0.07 -0.01 -0.07 0.00 2.52 0.00 0.00 27.41 29.79 3i5u h HIS 209 CO -0.04 0.02 0.51 -0.09 0.71 0.00 0.00 177.93 179.04 3i5u h ARG 210 N 0.08 0.87 0.14 5.26 2.43 -0.74 -0.53 114.38 121.90 3i5u h ARG 210 Ca 0.05 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3i5u h ARG 210 Cb 0.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3i5u h ARG 210 CO -0.06 0.57 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.82 3i5u h ARG 211 N 0.89 -0.18 -0.83 0.20 2.43 -0.87 -1.36 114.38 114.66 3i5u h ARG 211 Ca 0.39 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3i5u h ARG 211 Cb 0.27 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3i5u h ARG 211 CO -0.21 0.03 0.54 0.74 -1.51 0.00 0.00 179.97 179.56 3i5u h PHE 212 N -0.37 1.06 0.07 2.20 0.04 -0.75 0.15 116.94 119.33 3i5u h PHE 212 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3i5u h PHE 212 Cb 0.30 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3i5u h PHE 212 CO -0.01 0.68 -0.04 1.25 -0.60 0.00 0.00 178.31 179.59 3i5u h LEU 213 N 1.13 -0.09 -1.34 1.54 7.12 -1.04 -0.07 115.31 122.57 3i5u h LEU 213 Ca 0.30 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 3i5u h LEU 213 Cb -0.11 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 3i5u h LEU 213 CO -0.06 -0.06 -0.07 -0.78 -0.13 0.00 0.00 178.44 177.33 3i5u h ASP 214 N -0.10 0.00 0.15 1.25 3.58 -0.99 -3.11 116.42 117.20 3i5u h ASP 214 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3i5u h ASP 214 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3i5u h ASP 214 CO 0.01 0.07 -0.89 0.41 -2.88 0.00 0.00 179.24 175.97 3i5u n THR 215 N -3.20 0.01 -2.51 2.25 -1.04 0.02 -4.98 114.28 104.82 3i5u n THR 215 Ca 0.00 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 3i5u n THR 215 Cb 0.35 0.75 0.01 0.00 -1.82 0.00 0.00 70.33 69.61 3i5u n THR 215 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i5u n GLY 216 N 1.49 0.73 0.00 3.41 0.00 -0.68 -4.96 105.19 105.19 3i5u n GLY 216 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3i5u n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5u n LEU 217 N -0.83 0.91 0.31 0.99 4.77 -0.13 -4.65 117.00 118.38 3i5u n LEU 217 Ca -0.00 -0.95 0.19 0.00 -0.03 0.00 0.00 56.01 55.22 3i5u n LEU 217 Cb 0.51 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.61 3i5u n LEU 217 CO 0.06 0.23 1.16 0.77 -1.33 0.00 0.00 177.39 178.27 3i5u h SER 218 N 0.02 0.00 0.69 -1.43 4.64 -1.71 0.89 113.55 116.66 3i5u h SER 218 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i5u h SER 218 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i5u h SER 218 CO 0.00 0.00 -0.35 1.23 -0.87 0.00 0.00 176.83 176.84 3i5u h GLY 219 N 0.00 0.00 0.00 -0.77 0.00 -1.90 -3.33 103.07 97.07 3i5u h GLY 219 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i5u h GLY 219 CO -0.00 0.00 -0.54 0.54 0.00 0.00 0.00 176.54 176.54 3i5u n ARG 220 N -3.65 3.20 -5.06 4.80 1.74 0.77 -5.03 116.66 113.43 3i5u n ARG 220 Ca -0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 3i5u n ARG 220 Cb 0.46 -0.77 -0.16 0.00 -1.02 0.00 0.00 32.46 30.98 3i5u n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5u s ALA 221 N -1.53 2.34 0.16 7.54 0.00 0.28 -1.82 121.76 128.73 3i5u s ALA 221 Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3i5u s ALA 221 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3i5u s ALA 221 CO 0.00 0.29 -0.11 1.14 0.00 0.00 0.00 175.76 177.08 3i5u s GLN 222 N 0.28 1.10 0.27 0.00 -2.07 -0.95 -4.32 119.66 113.97 3i5u s GLN 222 Ca -0.14 -1.47 0.11 0.00 -1.82 0.00 0.00 55.36 52.04 3i5u s GLN 222 Cb -0.17 -0.69 -0.05 0.00 -1.09 0.00 0.00 33.01 31.01 3i5u s GLN 222 CO 0.07 0.09 -0.19 0.14 -1.32 0.00 0.00 175.29 174.08 3i5u s VAL 223 N -3.28 2.34 -0.07 3.63 -7.23 -1.26 -0.85 120.40 113.68 3i5u s VAL 223 Ca 0.18 -2.37 -0.03 0.00 -1.81 0.00 0.00 61.98 57.94 3i5u s VAL 223 Cb 0.02 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.75 3i5u s VAL 223 CO 0.01 -0.43 0.15 -0.69 -0.31 0.00 0.00 175.10 173.83 3i5u s VAL 224 N -2.60 -0.14 -0.29 1.32 1.01 0.03 -4.89 120.40 114.85 3i5u s VAL 224 Ca 0.29 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 3i5u s VAL 224 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3i5u s VAL 224 CO 0.14 0.11 0.75 -0.69 0.00 0.00 0.00 175.10 175.40 3i5u s VAL 225 N 1.63 4.85 0.06 2.92 1.01 -1.26 -2.46 120.40 127.15 3i5u s VAL 225 Ca -0.04 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.88 3i5u s VAL 225 Cb -0.12 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.27 3i5u s VAL 225 CO -0.06 -0.16 1.17 -0.83 0.00 0.00 0.00 175.10 175.22 3i5u s GLY 226 N 1.54 -0.19 -0.17 4.51 0.00 -0.34 -4.96 107.32 107.71 3i5u s GLY 226 Ca 0.31 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 3i5u s GLY 226 CO 0.11 1.82 0.06 -0.45 0.00 0.00 0.00 173.10 174.64 3i5u s SER 227 N -3.25 5.62 0.00 1.64 0.15 -1.26 -3.97 113.70 112.63 3i5u s SER 227 Ca 0.19 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3i5u s SER 227 Cb 0.01 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3i5u s SER 227 CO 0.00 0.21 0.58 2.22 1.20 0.00 0.00 173.24 177.45 3i5u n PHE 228 N 3.31 0.00 0.84 3.44 1.16 -1.26 -1.05 117.46 123.90 3i5u n PHE 228 Ca -0.17 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.52 3i5u n PHE 228 Cb 0.52 -0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.41 3i5u n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i5u n PHE 229 N -0.47 0.07 -3.47 2.97 3.01 -1.26 -4.60 117.46 113.71 3i5u n PHE 229 Ca 0.00 0.02 -0.21 0.00 1.01 0.00 0.00 57.45 58.28 3i5u n PHE 229 Cb 0.01 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 3i5u n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i5u s ASP 230 N -3.32 5.11 0.37 4.37 1.01 -0.22 -5.00 116.67 118.99 3i5u s ASP 230 Ca 0.07 -0.75 -0.26 0.00 0.71 0.00 0.00 52.55 52.32 3i5u s ASP 230 Cb 0.16 -0.44 -0.12 0.00 1.01 0.00 0.00 42.92 43.53 3i5u s ASP 230 CO 0.81 -0.76 1.05 -2.65 0.21 0.00 0.00 175.17 173.83 3i5u n PRO 231 N -1.66 1.47 -4.06 8.23 -0.02 -1.26 -4.90 135.00 132.79 3i5u n PRO 231 Ca 0.05 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 3i5u n PRO 231 Cb 0.62 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 3i5u n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5u s LEU 232 N -0.27 3.95 0.04 2.45 1.02 -1.26 -4.95 118.68 119.66 3i5u s LEU 232 Ca 0.60 -0.17 -0.32 0.00 0.02 0.00 0.00 54.13 54.26 3i5u s LEU 232 Cb -0.60 -2.49 -0.11 0.00 0.02 0.00 0.00 46.19 43.01 3i5u s LEU 232 CO 0.59 -0.06 1.86 -2.65 0.02 0.00 0.00 176.35 176.11 3i5u n PRO 233 N -1.25 2.58 -2.70 1.29 -0.02 -1.26 -4.85 135.00 128.78 3i5u n PRO 233 Ca -0.08 0.94 -0.23 0.00 -2.02 0.00 0.00 63.50 62.11 3i5u n PRO 233 Cb 0.58 -2.83 0.03 0.00 -0.02 0.00 0.00 33.50 31.26 3i5u n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i5u s ALA 234 N 3.40 3.64 0.00 3.55 0.00 -1.26 -4.57 121.76 126.52 3i5u s ALA 234 Ca 0.87 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3i5u s ALA 234 Cb -0.55 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3i5u s ALA 234 CO 0.43 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3i5u n GLY 235 N -2.33 0.83 3.78 0.00 0.00 -0.39 -5.05 105.19 102.03 3i5u n GLY 235 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3i5u n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u s ALA 236 N -3.27 2.27 0.11 4.61 0.00 -1.26 -4.96 121.76 119.26 3i5u s ALA 236 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 3i5u s ALA 236 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3i5u s ALA 236 CO 0.00 -1.69 1.62 0.78 0.00 0.00 0.00 175.76 176.47 3i5u h GLY 237 N -1.06 0.55 -4.76 0.00 0.00 -0.83 -3.43 103.07 93.54 3i5u h GLY 237 Ca -0.45 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 3i5u h GLY 237 CO 0.55 0.31 -0.44 -0.32 0.00 0.00 0.00 176.54 176.65 3i5u s GLY 238 N -2.98 -0.02 -0.19 4.60 0.00 -1.00 -1.52 107.32 106.21 3i5u s GLY 238 Ca -0.13 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3i5u s GLY 238 CO 0.75 -0.09 -0.13 -0.19 0.00 0.00 0.00 173.10 173.43 3i5u s TYR 239 N -1.21 2.85 -0.15 1.90 1.51 0.21 -0.51 117.35 121.95 3i5u s TYR 239 Ca -0.13 -1.28 -0.07 0.00 -1.01 0.00 0.00 57.07 54.58 3i5u s TYR 239 Cb -0.06 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3i5u s TYR 239 CO 0.02 -0.65 0.11 0.08 -1.11 0.00 0.00 175.55 173.99 3i5u s VAL 240 N 1.28 5.21 -0.52 0.71 1.01 -0.06 -0.27 120.40 127.76 3i5u s VAL 240 Ca 0.04 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3i5u s VAL 240 Cb -0.14 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.07 3i5u s VAL 240 CO -0.07 0.54 0.29 -0.76 0.00 0.00 0.00 175.10 175.09 3i5u s LEU 241 N -0.36 3.90 -0.37 3.92 1.43 -0.37 -1.18 118.68 125.65 3i5u s LEU 241 Ca 0.11 -3.02 -0.17 0.00 -1.03 0.00 0.00 54.13 50.01 3i5u s LEU 241 Cb -0.12 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3i5u s LEU 241 CO 0.01 -0.22 0.47 -0.55 0.23 0.00 0.00 176.35 176.30 3i5u s SER 242 N -0.27 6.26 -1.44 2.29 0.15 -1.26 -0.66 113.70 118.77 3i5u s SER 242 Ca 0.18 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 3i5u s SER 242 Cb -0.22 -2.25 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3i5u s SER 242 CO -0.02 -0.49 0.92 0.00 1.20 0.00 0.00 173.24 174.84 3i5u n ALA 243 N 5.67 -1.54 -0.01 5.45 0.00 -0.25 -4.90 120.51 124.94 3i5u n ALA 243 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 3i5u n ALA 243 Cb 0.49 -3.75 -0.01 0.00 0.00 0.00 0.00 19.45 16.18 3i5u n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i5u n VAL 244 N -4.58 0.11 -0.05 0.00 0.31 -1.26 -4.73 118.33 108.12 3i5u n VAL 244 Ca -0.08 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.04 3i5u n VAL 244 Cb 0.58 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 3i5u n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5u h LEU 245 N 0.00 0.96 0.00 7.52 3.38 -1.91 -2.86 115.31 122.40 3i5u h LEU 245 Ca -0.04 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3i5u h LEU 245 Cb 1.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i5u h LEU 245 CO -0.00 1.37 0.00 0.00 0.09 0.00 0.00 178.44 179.90 3i5u n HIS 246 N -3.99 0.00 1.28 1.13 1.44 -1.26 -1.27 115.22 112.55 3i5u n HIS 246 Ca -0.06 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.78 3i5u n HIS 246 Cb 0.69 -0.12 0.37 0.00 0.12 0.00 0.00 29.99 31.05 3i5u n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i5u n ASP 247 N -1.12 1.29 -4.26 4.39 8.00 -1.08 -1.73 116.55 122.04 3i5u n ASP 247 Ca 0.09 -1.13 -0.19 0.00 0.71 0.00 0.00 54.79 54.27 3i5u n ASP 247 Cb 0.07 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 3i5u n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i5u s TRP 248 N -2.36 1.51 0.91 1.24 0.52 -0.40 -4.31 118.94 116.05 3i5u s TRP 248 Ca 0.27 -0.51 -0.12 0.00 0.02 0.00 0.00 56.10 55.76 3i5u s TRP 248 Cb 0.20 -0.79 0.14 0.00 -1.15 0.00 0.00 33.47 31.86 3i5u s TRP 248 CO 0.47 0.18 1.12 0.16 0.02 0.00 0.00 176.95 178.90 3i5u s ASP 249 N -2.36 3.46 0.21 2.95 1.47 -1.24 -4.12 116.67 117.05 3i5u s ASP 249 Ca 0.09 1.05 -0.12 0.00 1.18 0.00 0.00 52.55 54.75 3i5u s ASP 249 Cb -0.06 -1.67 0.28 0.00 -0.34 0.00 0.00 42.92 41.13 3i5u s ASP 249 CO 0.04 -2.59 1.65 0.44 0.68 0.00 0.00 175.17 175.38 3i5u h ASP 250 N -1.52 -0.40 -0.48 2.11 3.32 -1.94 -0.46 116.42 117.04 3i5u h ASP 250 Ca -0.51 0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.75 3i5u h ASP 250 Cb 1.32 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 41.15 3i5u h ASP 250 CO 0.61 -0.16 0.25 -0.07 -1.72 0.00 0.00 179.24 178.15 3i5u h LEU 251 N 0.07 0.36 -0.59 1.55 -0.00 -2.00 -2.11 115.31 112.58 3i5u h LEU 251 Ca 0.32 0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 58.08 3i5u h LEU 251 Cb 0.51 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 3i5u h LEU 251 CO -0.58 0.25 -0.70 0.28 -0.00 0.00 0.00 178.44 177.68 3i5u h SER 252 N 0.48 0.00 -0.61 -0.43 0.02 -1.82 -2.91 113.55 108.28 3i5u h SER 252 Ca 0.21 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3i5u h SER 252 Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3i5u h SER 252 CO -0.14 0.70 0.12 0.00 -1.14 0.00 0.00 176.83 176.37 3i5u h ALA 253 N 1.30 0.81 -0.25 3.77 0.00 -0.63 -1.70 119.26 122.56 3i5u h ALA 253 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3i5u h ALA 253 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3i5u h ALA 253 CO 0.09 0.55 -0.52 -0.39 0.00 0.00 0.00 179.25 178.99 3i5u h VAL 254 N 0.92 1.30 -0.37 0.00 -1.51 -1.40 -1.29 116.25 113.89 3i5u h VAL 254 Ca 0.19 -1.73 0.07 0.00 -1.23 0.00 0.00 66.70 63.99 3i5u h VAL 254 Cb 0.40 1.66 -0.06 0.00 -2.13 0.00 0.00 31.29 31.17 3i5u h VAL 254 CO 0.01 0.55 0.00 0.00 -1.23 0.00 0.00 177.57 176.90 3i5u h ALA 255 N 0.86 0.34 0.19 5.19 0.00 -1.30 0.61 119.26 125.16 3i5u h ALA 255 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5u h ALA 255 Cb 1.09 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i5u h ALA 255 CO 0.11 -0.40 -0.09 0.82 0.00 0.00 0.00 179.25 179.69 3i5u h ILE 256 N 0.10 0.84 -0.77 0.00 2.04 -1.16 -2.10 117.51 116.46 3i5u h ILE 256 Ca 0.18 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3i5u h ILE 256 Cb 0.25 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3i5u h ILE 256 CO -0.30 0.03 0.51 -0.07 0.00 0.00 0.00 178.15 178.32 3i5u h LEU 257 N -0.33 0.81 -0.31 1.44 3.38 -0.71 -1.79 115.31 117.81 3i5u h LEU 257 Ca -0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i5u h LEU 257 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3i5u h LEU 257 CO 0.04 0.56 0.16 -0.09 0.09 0.00 0.00 178.44 179.20 3i5u h ARG 258 N 0.94 0.32 -0.26 1.13 2.43 0.47 0.14 114.38 119.56 3i5u h ARG 258 Ca 0.31 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3i5u h ARG 258 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3i5u h ARG 258 CO -0.09 0.21 0.08 0.00 -1.51 0.00 0.00 179.97 178.67 3i5u h ARG 259 N 0.33 0.37 -0.02 0.20 2.47 -0.65 -1.40 114.38 115.68 3i5u h ARG 259 Ca 0.12 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.61 3i5u h ARG 259 Cb 0.03 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3i5u h ARG 259 CO -0.08 0.33 -0.83 0.00 0.56 0.00 0.00 179.97 179.95 3i5u h ALA 261 N 0.95 -0.40 -0.00 0.00 0.00 0.30 -0.48 119.26 119.62 3i5u h ALA 261 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i5u h ALA 261 Cb 1.44 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3i5u h ALA 261 CO 0.13 -0.74 -0.05 0.93 0.00 0.00 0.00 179.25 179.53 3i5u h GLU 262 N -0.42 -0.08 -0.92 0.00 5.08 -1.40 0.59 114.58 117.42 3i5u h GLU 262 Ca -0.02 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3i5u h GLU 262 Cb 0.35 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3i5u h GLU 262 CO 0.02 -0.05 0.60 0.00 -1.00 0.00 0.00 179.01 178.58 3i5u h ALA 263 N 0.92 1.46 0.00 3.43 0.00 -1.31 -2.48 119.26 121.28 3i5u h ALA 263 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i5u h ALA 263 Cb 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i5u h ALA 263 CO -0.05 0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 3i5u h ALA 264 N 1.48 0.94 -0.69 0.00 0.00 -0.66 -1.03 119.26 119.30 3i5u h ALA 264 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i5u h ALA 264 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i5u h ALA 264 CO -0.13 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3i5u n GLY 265 N 1.11 1.16 0.02 0.00 0.00 0.16 0.33 105.19 107.96 3i5u n GLY 265 Ca 0.04 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.62 3i5u n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i5u n SER 266 N -2.90 0.41 -0.38 1.61 3.41 -1.26 -3.95 113.62 110.56 3i5u n SER 266 Ca 0.00 0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 3i5u n SER 266 Cb 0.00 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 63.98 3i5u n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5u n GLY 267 N 1.46 1.07 3.81 5.00 0.00 -1.17 -4.89 105.19 110.46 3i5u n GLY 267 Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3i5u n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i5u s GLY 268 N -0.82 1.56 -0.07 -0.02 0.00 0.15 -4.92 107.32 103.20 3i5u s GLY 268 Ca 0.13 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3i5u s GLY 268 CO 0.10 -1.35 -0.17 0.54 0.00 0.00 0.00 173.10 172.23 3i5u s VAL 269 N -1.95 2.82 -0.21 1.40 0.11 -0.58 -4.51 120.40 117.47 3i5u s VAL 269 Ca 0.32 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 3i5u s VAL 269 Cb -0.09 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 3i5u s VAL 269 CO 0.24 0.57 0.04 -0.69 -3.33 0.00 0.00 175.10 171.94 3i5u s VAL 270 N -0.36 4.33 -0.35 2.04 1.01 0.55 -0.62 120.40 127.00 3i5u s VAL 270 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3i5u s VAL 270 Cb -0.12 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.36 3i5u s VAL 270 CO 0.02 0.40 0.10 -0.76 0.00 0.00 0.00 175.10 174.86 3i5u s LEU 271 N 1.04 4.66 -0.35 3.92 1.43 0.62 0.60 118.68 130.60 3i5u s LEU 271 Ca 0.03 -1.79 -0.25 0.00 -1.03 0.00 0.00 54.13 51.09 3i5u s LEU 271 Cb -0.14 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3i5u s LEU 271 CO 0.03 -0.41 0.88 -0.69 0.23 0.00 0.00 176.35 176.39 3i5u s VAL 272 N 1.13 4.65 -0.34 -1.59 1.01 -0.16 -1.23 120.40 123.86 3i5u s VAL 272 Ca 0.04 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 3i5u s VAL 272 Cb -0.21 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 31.97 3i5u s VAL 272 CO -0.04 -0.45 0.08 -0.63 0.00 0.00 0.00 175.10 174.06 3i5u s ILE 273 N 3.30 2.97 0.35 2.22 1.01 0.16 -1.01 121.20 130.19 3i5u s ILE 273 Ca 0.36 -1.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 3i5u s ILE 273 Cb -0.13 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.50 3i5u s ILE 273 CO 0.17 -0.39 0.80 -1.83 0.00 0.00 0.00 174.94 173.69 3i5u s GLU 274 N 1.16 2.08 -0.53 2.79 -1.05 -1.09 -1.08 118.70 120.98 3i5u s GLU 274 Ca 0.02 -1.31 -0.28 0.00 -0.15 0.00 0.00 54.97 53.25 3i5u s GLU 274 Cb -0.21 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3i5u s GLU 274 CO -0.03 -0.97 1.55 0.00 0.95 0.00 0.00 175.26 176.75 3i5u s ALA 275 N -2.59 2.72 0.39 -0.84 0.00 -1.26 -2.27 121.76 117.91 3i5u s ALA 275 Ca 0.15 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 3i5u s ALA 275 Cb -0.05 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 3i5u s ALA 275 CO 0.10 -3.02 1.03 0.08 0.00 0.00 0.00 175.76 173.96 3i5u s VAL 276 N 6.65 3.82 0.47 0.00 1.01 -1.26 -4.59 120.40 126.50 3i5u s VAL 276 Ca 0.59 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.74 3i5u s VAL 276 Cb -0.13 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3i5u s VAL 276 CO 0.26 0.01 1.18 0.00 0.00 0.00 0.00 175.10 176.56 3i5u n ALA 277 N 0.01 0.94 -0.43 5.51 0.00 0.79 -4.87 120.51 122.47 3i5u n ALA 277 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3i5u n ALA 277 Cb 0.50 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3i5u n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 278 N 0.96 1.47 1.25 0.00 0.00 -1.26 -4.76 105.19 102.85 3i5u n GLY 278 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i5u n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u n ALA 282 N -1.06 -0.86 -3.89 4.61 0.00 -1.26 -5.16 120.51 112.90 3i5u n ALA 282 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i5u n ALA 282 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 3i5u n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 283 N -1.03 3.24 0.27 0.00 0.00 -1.26 -4.99 105.19 101.41 3i5u n GLY 283 Ca 0.00 -2.25 0.16 0.00 0.00 0.00 0.00 46.02 43.94 3i5u n GLY 283 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i5u h THR 284 N 0.75 0.00 -0.49 2.61 1.35 -2.02 -3.07 112.91 112.03 3i5u h THR 284 Ca -0.17 -0.59 -0.09 0.00 -0.55 0.00 0.00 66.41 65.01 3i5u h THR 284 Cb 0.57 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3i5u h THR 284 CO 0.27 0.00 -0.04 1.23 -0.25 0.00 0.00 175.52 176.73 3i5u h GLY 285 N 2.40 0.97 1.44 5.82 0.00 -1.99 -1.78 103.07 109.92 3i5u h GLY 285 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 47.33 46.44 3i5u h GLY 285 CO 0.00 0.68 -0.48 1.98 0.00 0.00 0.00 176.54 178.72 3i5u h MET 286 N 0.75 0.60 -0.60 4.80 1.85 -1.94 -2.17 114.93 118.24 3i5u h MET 286 Ca 0.13 -0.35 -0.01 0.00 -0.61 0.00 0.00 59.70 58.87 3i5u h MET 286 Cb 0.57 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 3i5u h MET 286 CO 0.03 0.95 0.33 0.22 -0.40 0.00 0.00 176.91 178.04 3i5u h ASP 287 N 0.48 0.74 0.37 1.39 3.58 -1.44 -0.35 116.42 121.19 3i5u h ASP 287 Ca 0.03 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.30 3i5u h ASP 287 Cb 1.01 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 3i5u h ASP 287 CO 0.09 0.62 -0.39 -0.07 -2.88 0.00 0.00 179.24 176.62 3i5u h LEU 288 N 0.81 0.03 -0.38 2.28 3.38 -1.21 -1.92 115.31 118.29 3i5u h LEU 288 Ca 0.21 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3i5u h LEU 288 Cb 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3i5u h LEU 288 CO -0.03 0.41 -0.04 -0.09 0.09 0.00 0.00 178.44 178.78 3i5u h ARG 289 N 0.02 0.70 -0.81 1.13 2.43 -0.65 -0.03 114.38 117.18 3i5u h ARG 289 Ca -0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3i5u h ARG 289 Cb 0.70 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3i5u h ARG 289 CO 0.05 0.82 0.46 0.52 -1.51 0.00 0.00 179.97 180.31 3i5u h MET 290 N 0.52 1.11 0.08 0.20 2.86 -0.72 0.17 114.93 119.15 3i5u h MET 290 Ca 0.10 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i5u h MET 290 Cb 0.53 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3i5u h MET 290 CO 0.03 0.80 -0.04 1.25 1.06 0.00 0.00 176.91 180.00 3i5u h LEU 291 N 1.12 -0.10 -0.97 1.22 5.85 -1.07 0.43 115.31 121.79 3i5u h LEU 291 Ca 0.29 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3i5u h LEU 291 Cb -0.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3i5u h LEU 291 CO -0.05 0.15 -0.46 0.71 -0.34 0.00 0.00 178.44 178.45 3i5u h THR 292 N -0.34 1.16 0.06 1.05 1.35 -0.70 -0.52 112.91 114.96 3i5u h THR 292 Ca -0.01 -1.67 -0.00 0.00 -0.55 0.00 0.00 66.41 64.18 3i5u h THR 292 Cb 0.29 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3i5u h THR 292 CO 0.02 0.45 -0.03 1.88 -0.25 0.00 0.00 175.52 177.59 3i5u h TYR 293 N 0.00 -0.08 0.00 4.73 -1.99 -0.63 0.18 116.97 119.18 3i5u h TYR 293 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3i5u h TYR 293 Cb 0.91 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.66 3i5u h TYR 293 CO 0.00 0.33 0.00 1.19 -0.00 0.00 0.00 178.16 179.68 3i5u n PHE 294 N -4.78 0.00 -1.70 4.88 3.01 -0.61 -4.48 117.46 113.77 3i5u n PHE 294 Ca -0.05 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.41 3i5u n PHE 294 Cb 0.22 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3i5u n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5u n GLY 295 N 0.12 0.37 0.00 1.37 0.00 -0.20 -4.63 105.19 102.21 3i5u n GLY 295 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3i5u n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 296 N -1.60 0.79 3.58 -0.02 0.00 0.00 -3.67 105.19 104.28 3i5u n GLY 296 Ca -0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 3i5u n GLY 296 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5u s LYS 297 N 0.13 0.53 0.09 1.61 -2.85 -0.71 -3.24 119.74 115.30 3i5u s LYS 297 Ca 0.00 0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.75 3i5u s LYS 297 Cb 0.00 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 3i5u s LYS 297 CO 0.00 -0.18 0.92 -1.21 0.10 0.00 0.00 175.35 174.98 3i5u s GLU 298 N -1.37 4.64 0.32 1.78 2.02 -1.26 -4.33 118.70 120.50 3i5u s GLU 298 Ca 0.01 1.36 0.10 0.00 0.02 0.00 0.00 54.97 56.45 3i5u s GLU 298 Cb -0.01 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 3i5u s GLU 298 CO -0.01 0.21 -0.04 1.03 0.02 0.00 0.00 175.26 176.47 3i5u s ARG 299 N 0.06 2.00 0.52 1.61 0.52 -1.26 -4.80 118.95 117.61 3i5u s ARG 299 Ca 0.45 -1.75 0.03 0.00 -0.52 0.00 0.00 55.73 53.95 3i5u s ARG 299 Cb -0.22 -1.89 0.03 0.00 0.52 0.00 0.00 34.95 33.39 3i5u s ARG 299 CO 0.28 0.19 0.73 -1.54 0.02 0.00 0.00 175.30 174.98 3i5u s SER 300 N -3.66 5.32 0.35 0.23 1.04 -1.26 -0.15 113.70 115.57 3i5u s SER 300 Ca 0.33 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.59 3i5u s SER 300 Cb -0.01 -0.70 0.63 0.00 0.10 0.00 0.00 66.02 66.03 3i5u s SER 300 CO 0.18 -1.09 1.99 -0.07 0.98 0.00 0.00 173.24 175.23 3i5u h LEU 301 N 0.20 0.70 -0.13 2.42 4.07 -1.98 0.48 115.31 121.08 3i5u h LEU 301 Ca -0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 3i5u h LEU 301 Cb 1.29 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 3i5u h LEU 301 CO 0.49 0.54 0.05 0.00 -1.08 0.00 0.00 178.44 178.43 3i5u h ALA 302 N 1.58 0.17 -0.27 1.53 0.00 -1.98 0.12 119.26 120.40 3i5u h ALA 302 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i5u h ALA 302 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3i5u h ALA 302 CO -0.04 -0.22 -0.06 0.93 0.00 0.00 0.00 179.25 179.86 3i5u h GLU 303 N 0.04 0.43 -0.20 0.00 5.08 -1.75 -1.20 114.58 116.98 3i5u h GLU 303 Ca 0.04 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 3i5u h GLU 303 Cb 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3i5u h GLU 303 CO -0.00 0.50 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.89 3i5u h LEU 304 N 0.41 0.65 -0.87 1.33 3.38 -0.72 -2.72 115.31 116.76 3i5u h LEU 304 Ca 0.09 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3i5u h LEU 304 Cb 0.36 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3i5u h LEU 304 CO 0.02 1.07 0.57 1.23 0.09 0.00 0.00 178.44 181.41 3i5u h GLY 305 N 1.03 1.24 0.91 0.83 0.00 0.29 0.39 103.07 107.76 3i5u h GLY 305 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3i5u h GLY 305 CO 0.10 0.41 -0.05 0.83 0.00 0.00 0.00 176.54 177.83 3i5u h GLU 306 N 1.13 -0.13 -0.15 4.80 4.39 -1.09 -0.55 114.58 122.99 3i5u h GLU 306 Ca 0.33 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.08 3i5u h GLU 306 Cb -0.07 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3i5u h GLU 306 CO -0.09 -0.00 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.59 3i5u h LEU 307 N -0.23 -0.33 -0.69 1.33 3.38 -1.18 -1.19 115.31 116.41 3i5u h LEU 307 Ca -0.01 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3i5u h LEU 307 Cb 0.19 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3i5u h LEU 307 CO 0.02 -0.14 0.21 0.00 0.09 0.00 0.00 178.44 178.62 3i5u h ALA 308 N 1.01 0.91 -0.63 1.53 0.00 -0.72 -0.17 119.26 121.19 3i5u h ALA 308 Ca 0.09 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3i5u h ALA 308 Cb 0.24 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3i5u h ALA 308 CO -0.21 -0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.11 3i5u h ALA 309 N 1.54 0.83 0.00 0.00 0.00 0.06 0.28 119.26 121.97 3i5u h ALA 309 Ca 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3i5u h ALA 309 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i5u h ALA 309 CO -0.43 0.02 -0.13 1.96 0.00 0.00 0.00 179.25 180.67 3i5u h GLN 310 N 0.65 0.00 -0.54 0.00 4.20 -0.15 -1.62 115.11 117.65 3i5u h GLN 310 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3i5u h GLN 310 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3i5u h GLN 310 CO -0.17 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.12 3i5u n ALA 311 N -2.26 2.41 -2.16 3.87 0.00 -0.34 -4.93 120.51 117.09 3i5u n ALA 311 Ca -0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 3i5u n ALA 311 Cb 0.26 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i5u n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 312 N 1.47 0.12 3.50 0.00 0.00 -0.61 -4.67 105.19 105.00 3i5u n GLY 312 Ca 0.20 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 3i5u n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5u s LEU 313 N -1.96 2.42 -0.06 0.99 1.43 0.85 -0.61 118.68 121.73 3i5u s LEU 313 Ca 0.01 -1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 51.69 3i5u s LEU 313 Cb -0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.66 3i5u s LEU 313 CO 0.01 -0.54 0.15 0.00 0.23 0.00 0.00 176.35 176.20 3i5u s ALA 314 N -3.09 -0.37 0.21 4.21 0.00 -0.51 -3.02 121.76 119.19 3i5u s ALA 314 Ca 0.36 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3i5u s ALA 314 Cb 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 3i5u s ALA 314 CO 0.16 -0.07 1.22 0.08 0.00 0.00 0.00 175.76 177.15 3i5u s VAL 315 N 0.09 3.40 0.00 0.00 1.01 -1.26 -2.09 120.40 121.55 3i5u s VAL 315 Ca -0.00 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3i5u s VAL 315 Cb -0.01 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3i5u s VAL 315 CO 0.00 0.21 0.10 0.54 0.00 0.00 0.00 175.10 175.95 3i5u n ARG 316 N 2.25 2.53 -3.51 2.72 1.74 0.18 -4.97 116.66 117.60 3i5u n ARG 316 Ca 0.04 -0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 3i5u n ARG 316 Cb 0.44 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.39 3i5u n ARG 316 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5u s ALA 317 N -0.39 -1.82 -0.30 7.54 0.00 -1.19 -4.99 121.76 120.62 3i5u s ALA 317 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.09 3i5u s ALA 317 Cb 0.00 0.22 0.18 0.00 0.00 0.00 0.00 23.12 23.51 3i5u s ALA 317 CO 0.00 -0.60 0.48 0.00 0.00 0.00 0.00 175.76 175.65 3i5u s ALA 318 N -2.64 -1.67 -0.31 0.00 0.00 -1.25 -1.24 121.76 114.64 3i5u s ALA 318 Ca 0.02 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 3i5u s ALA 318 Cb -0.01 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3i5u s ALA 318 CO -0.06 -1.82 0.20 -1.01 0.00 0.00 0.00 175.76 173.07 3i5u s HIS 319 N 2.57 3.21 0.42 0.00 3.76 -0.25 -4.88 115.29 120.12 3i5u s HIS 319 Ca 0.10 -0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 54.66 3i5u s HIS 319 Cb -0.11 -2.41 -0.08 0.00 1.11 0.00 0.00 32.58 31.08 3i5u s HIS 319 CO -0.27 -0.28 1.10 -1.25 -0.85 0.00 0.00 174.74 173.19 3i5u s PRO 320 N 1.72 4.02 -0.35 8.40 0.04 -1.26 -0.68 135.00 146.89 3i5u s PRO 320 Ca 0.06 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.75 3i5u s PRO 320 Cb -0.17 -2.50 0.16 0.00 0.04 0.00 0.00 34.50 32.03 3i5u s PRO 320 CO 0.10 -0.29 0.39 0.42 0.04 0.00 0.00 177.00 177.66 3i5u s ILE 321 N -1.61 -0.44 0.00 0.56 1.01 0.38 -4.90 121.20 116.20 3i5u s ILE 321 Ca 0.60 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3i5u s ILE 321 Cb -0.25 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3i5u s ILE 321 CO 0.30 -0.48 0.00 -1.20 0.00 0.00 0.00 174.94 173.57 3i5u n SER 322 N 4.58 0.00 -0.06 3.58 7.64 -1.26 -2.43 113.62 125.66 3i5u n SER 322 Ca 0.08 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.17 3i5u n SER 322 Cb 0.47 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.34 3i5u n SER 322 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3i5u h TYR 323 N 0.00 0.06 -4.47 1.43 -1.99 -1.90 -3.44 116.97 106.66 3i5u h TYR 323 Ca 0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 3i5u h TYR 323 Cb 0.00 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.67 3i5u h TYR 323 CO 0.00 0.02 -0.16 1.33 -0.00 0.00 0.00 178.16 179.35 3i5u n VAL 324 N -4.37 0.00 -4.05 -2.88 0.24 -1.02 -4.67 118.33 101.58 3i5u n VAL 324 Ca 0.12 -0.87 -0.08 0.00 -2.04 0.00 0.00 64.34 61.48 3i5u n VAL 324 Cb 0.68 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.00 3i5u n VAL 324 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i5u s SER 325 N -2.08 0.41 -0.31 -1.34 0.01 -0.96 -0.47 113.70 108.95 3i5u s SER 325 Ca 0.03 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 3i5u s SER 325 Cb -0.00 0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.46 3i5u s SER 325 CO 0.02 -0.53 0.03 -0.63 0.41 0.00 0.00 173.24 172.54 3i5u s ILE 326 N -3.26 3.13 -0.27 1.44 1.01 0.15 -2.67 121.20 120.73 3i5u s ILE 326 Ca 0.01 -1.39 -0.09 0.00 0.00 0.00 0.00 60.65 59.18 3i5u s ILE 326 Cb 0.03 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3i5u s ILE 326 CO -0.08 -0.16 0.13 0.54 0.00 0.00 0.00 174.94 175.38 3i5u s VAL 327 N 1.27 4.76 -0.25 2.92 0.11 -0.18 -1.09 120.40 127.94 3i5u s VAL 327 Ca -0.04 -0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 58.79 3i5u s VAL 327 Cb -0.20 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 3i5u s VAL 327 CO -0.01 0.28 0.53 -0.70 -3.33 0.00 0.00 175.10 171.88 3i5u s GLU 328 N 1.68 4.10 0.11 1.54 2.12 -0.38 -0.99 118.70 126.88 3i5u s GLU 328 Ca 0.07 0.38 0.09 0.00 0.36 0.00 0.00 54.97 55.87 3i5u s GLU 328 Cb -0.16 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 3i5u s GLU 328 CO 0.07 -0.32 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.62 3i5u s MET 329 N 2.21 1.71 0.09 4.30 -1.94 0.20 -0.65 119.30 125.21 3i5u s MET 329 Ca 0.23 -1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 52.97 3i5u s MET 329 Cb -0.16 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.61 3i5u s MET 329 CO 0.09 0.48 0.08 0.95 -0.01 0.00 0.00 175.02 176.61 3i5u s THR 330 N -1.07 0.16 0.23 2.05 -4.23 -0.89 -0.33 115.64 111.57 3i5u s THR 330 Ca 0.16 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.78 3i5u s THR 330 Cb -0.10 -1.59 -0.16 0.00 1.34 0.00 0.00 72.50 71.99 3i5u s THR 330 CO 0.08 -0.74 0.71 0.00 -0.54 0.00 0.00 174.62 174.13 3i5u n ALA 331 N -0.01 -1.91 0.52 3.99 0.00 -1.26 -1.43 120.51 120.42 3i5u n ALA 331 Ca -0.12 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.78 3i5u n ALA 331 Cb 0.62 -1.76 0.25 0.00 0.00 0.00 0.00 19.45 18.56 3i5u n ALA 331 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78