#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i58 s ALA 6 N 0.00 3.41 -0.33 0.00 0.00 -1.26 -4.86 121.76 118.72 3i58 s ALA 6 Ca 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 51.96 49.27 3i58 s ALA 6 Cb 0.00 -2.70 0.46 0.00 0.00 0.00 0.00 23.12 20.88 3i58 s ALA 6 CO 0.00 -1.94 1.37 -2.39 0.00 0.00 0.00 175.76 172.80 3i58 n HIS 7 N 4.42 1.94 -3.78 0.00 -0.00 -1.26 -4.95 115.22 111.58 3i58 n HIS 7 Ca -0.01 -2.05 -0.13 0.00 -0.00 0.00 0.00 57.72 55.53 3i58 n HIS 7 Cb 0.41 -0.50 -0.13 0.00 -0.00 0.00 0.00 29.99 29.77 3i58 n HIS 7 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3i58 s ILE 8 N -4.07 -0.01 -0.17 0.61 2.07 -1.26 -5.14 121.20 113.23 3i58 s ILE 8 Ca 0.49 0.05 -0.42 0.00 -1.41 0.00 0.00 60.65 59.36 3i58 s ILE 8 Cb 0.42 -0.29 -0.20 0.00 0.13 0.00 0.00 42.46 42.51 3i58 s ILE 8 CO 0.00 0.02 1.30 0.61 -1.91 0.00 0.00 174.94 174.96 3i58 n GLY 9 N 3.36 -0.02 0.34 1.50 0.00 -1.26 -4.63 105.19 104.48 3i58 n GLY 9 Ca -0.17 0.85 0.05 0.00 0.00 0.00 0.00 46.02 46.75 3i58 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i58 n LEU 10 N 2.58 -0.36 -0.07 0.99 -0.00 -1.26 0.49 117.00 119.36 3i58 n LEU 10 Ca 0.24 1.62 -0.05 0.00 -0.00 0.00 0.00 56.01 57.82 3i58 n LEU 10 Cb 0.04 -0.48 0.14 0.00 -0.00 0.00 0.00 43.42 43.13 3i58 n LEU 10 CO 0.72 -1.55 0.78 -0.09 -0.00 0.00 0.00 177.39 177.25 3i58 h ARG 11 N 0.00 0.72 -0.00 1.96 2.43 -1.97 -2.05 114.38 115.47 3i58 h ARG 11 Ca 0.44 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3i58 h ARG 11 Cb 0.68 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3i58 h ARG 11 CO -0.97 0.82 -0.52 0.00 -1.51 0.00 0.00 179.97 177.79 3i58 h ALA 12 N 1.20 1.14 0.00 2.80 0.00 -0.30 -1.93 119.26 122.17 3i58 h ALA 12 Ca 0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3i58 h ALA 12 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i58 h ALA 12 CO 0.04 0.66 -0.17 1.25 0.00 0.00 0.00 179.25 181.03 3i58 h LEU 13 N 0.00 0.00 -3.27 0.00 5.85 0.70 -2.52 115.31 116.07 3i58 h LEU 13 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i58 h LEU 13 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3i58 h LEU 13 CO 0.07 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 3i58 n ALA 14 N -2.24 3.19 -1.93 1.25 0.00 -0.76 -5.01 120.51 115.01 3i58 n ALA 14 Ca -0.01 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.14 3i58 n ALA 14 Cb 0.33 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3i58 n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i58 s ASP 15 N -1.22 6.81 -0.01 0.00 2.15 -0.95 -4.92 116.67 118.54 3i58 s ASP 15 Ca 0.46 2.52 0.09 0.00 0.43 0.00 0.00 52.55 56.05 3i58 s ASP 15 Cb 0.34 -2.62 -0.13 0.00 -0.30 0.00 0.00 42.92 40.20 3i58 s ASP 15 CO 0.16 -0.58 0.26 0.18 -0.17 0.00 0.00 175.17 175.02 3i58 n LEU 16 N 2.31 0.12 -0.17 -1.34 4.77 -1.26 -4.58 117.00 116.85 3i58 n LEU 16 Ca 0.06 -0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 3i58 n LEU 16 Cb 0.42 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3i58 n LEU 16 CO 0.59 0.03 1.05 0.00 -1.33 0.00 0.00 177.39 177.73 3i58 h ALA 17 N 0.97 0.66 -0.05 -1.18 0.00 -1.99 -2.05 119.26 115.63 3i58 h ALA 17 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i58 h ALA 17 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i58 h ALA 17 CO 0.00 -0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.21 3i58 h THR 18 N 0.58 1.46 -0.47 0.00 2.02 -1.98 -0.39 112.91 114.12 3i58 h THR 18 Ca 0.21 -1.60 0.06 0.00 0.77 0.00 0.00 66.41 65.85 3i58 h THR 18 Cb 0.05 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 3i58 h THR 18 CO -0.11 0.44 0.18 -0.65 0.37 0.00 0.00 175.52 175.76 3i58 h PRO 19 N -0.35 0.36 -0.37 6.66 0.11 -1.80 0.04 132.00 136.66 3i58 h PRO 19 Ca -0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3i58 h PRO 19 Cb 0.81 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3i58 h PRO 19 CO 0.04 0.24 -0.20 0.52 -0.21 0.00 0.00 178.00 178.39 3i58 h MET 20 N 0.37 0.70 -0.53 1.05 2.86 -1.43 -1.99 114.93 115.96 3i58 h MET 20 Ca 0.22 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3i58 h MET 20 Cb 0.20 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3i58 h MET 20 CO -0.21 0.84 0.08 0.00 1.06 0.00 0.00 176.91 178.69 3i58 h ALA 21 N 1.17 1.14 -0.21 6.32 0.00 -0.33 0.15 119.26 127.49 3i58 h ALA 21 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3i58 h ALA 21 Cb 0.67 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i58 h ALA 21 CO 0.05 0.57 -0.23 0.28 0.00 0.00 0.00 179.25 179.92 3i58 h VAL 22 N 0.80 1.33 -0.59 0.00 2.07 -0.80 -1.86 116.25 117.20 3i58 h VAL 22 Ca 0.17 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 3i58 h VAL 22 Cb 0.37 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3i58 h VAL 22 CO 0.01 0.43 0.20 0.03 0.02 0.00 0.00 177.57 178.26 3i58 h ARG 23 N 0.21 0.89 -0.49 1.57 3.08 -1.14 0.69 114.38 119.19 3i58 h ARG 23 Ca 0.03 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 3i58 h ARG 23 Cb 0.79 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3i58 h ARG 23 CO 0.06 0.76 -0.12 0.28 -1.07 0.00 0.00 179.97 179.87 3i58 h VAL 24 N 0.86 1.27 -0.56 2.04 2.07 -0.90 0.44 116.25 121.47 3i58 h VAL 24 Ca 0.20 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3i58 h VAL 24 Cb 0.23 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3i58 h VAL 24 CO -0.01 0.44 0.18 0.00 0.02 0.00 0.00 177.57 178.20 3i58 h ALA 25 N 0.89 0.74 -0.70 1.67 0.00 -0.86 0.19 119.26 121.19 3i58 h ALA 25 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i58 h ALA 25 Cb 0.68 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3i58 h ALA 25 CO 0.05 0.40 0.36 0.00 0.00 0.00 0.00 179.25 180.06 3i58 h ALA 26 N 1.05 1.33 -0.17 0.00 0.00 -0.65 -0.67 119.26 120.14 3i58 h ALA 26 Ca 0.18 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3i58 h ALA 26 Cb 0.27 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i58 h ALA 26 CO -0.01 0.54 -0.75 1.15 0.00 0.00 0.00 179.25 180.19 3i58 h THR 27 N 0.98 1.28 0.00 0.00 2.02 -0.24 -2.95 112.91 113.99 3i58 h THR 27 Ca 0.25 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3i58 h THR 27 Cb 0.05 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3i58 h THR 27 CO -0.04 0.62 0.00 0.18 0.37 0.00 0.00 175.52 176.65 3i58 n LEU 28 N -3.96 0.00 -3.97 2.58 4.77 0.62 -4.89 117.00 112.15 3i58 n LEU 28 Ca -0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 3i58 n LEU 28 Cb 0.73 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3i58 n LEU 28 CO 0.53 0.00 0.05 0.54 -1.33 0.00 0.00 177.39 177.18 3i58 n ARG 29 N -0.86 -4.52 -0.21 3.23 1.74 -0.31 -4.83 116.66 110.90 3i58 n ARG 29 Ca 0.17 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3i58 n ARG 29 Cb 0.08 -5.34 0.11 0.00 -1.02 0.00 0.00 32.46 26.29 3i58 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i58 h VAL 30 N -1.78 0.81 -0.97 1.55 2.07 -1.72 -2.05 116.25 114.16 3i58 h VAL 30 Ca -0.57 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3i58 h VAL 30 Cb 1.37 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3i58 h VAL 30 CO 0.70 0.09 0.63 0.00 0.02 0.00 0.00 177.57 179.00 3i58 h ALA 31 N 1.41 1.23 -0.42 1.67 0.00 -1.84 -1.47 119.26 119.84 3i58 h ALA 31 Ca 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3i58 h ALA 31 Cb 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i58 h ALA 31 CO -0.28 0.64 0.17 -0.44 0.00 0.00 0.00 179.25 179.33 3i58 h ASP 32 N 1.32 0.59 -0.47 0.00 3.32 -1.66 -1.50 116.42 118.02 3i58 h ASP 32 Ca 0.35 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3i58 h ASP 32 Cb -0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3i58 h ASP 32 CO -0.07 0.60 0.20 0.45 -1.72 0.00 0.00 179.24 178.69 3i58 h HIS 33 N 0.54 0.74 0.31 4.55 3.86 -1.01 -1.72 115.15 122.43 3i58 h HIS 33 Ca 0.14 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3i58 h HIS 33 Cb 0.20 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3i58 h HIS 33 CO 0.00 0.58 -0.15 0.82 0.86 0.00 0.00 177.93 180.04 3i58 h ILE 34 N 0.73 0.69 0.00 2.45 2.04 -0.94 -1.33 117.51 121.15 3i58 h ILE 34 Ca 0.18 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3i58 h ILE 34 Cb 0.15 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3i58 h ILE 34 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.25 3i58 n ALA 35 N -2.48 1.24 -0.57 1.87 0.00 -0.59 -1.70 120.51 118.28 3i58 n ALA 35 Ca -0.09 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3i58 n ALA 35 Cb 0.26 -1.32 0.35 0.00 0.00 0.00 0.00 19.45 18.75 3i58 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i58 n ALA 36 N -1.76 3.36 -0.00 0.00 0.00 -0.65 -4.94 120.51 116.52 3i58 n ALA 36 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 3i58 n ALA 36 Cb 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3i58 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 37 N 0.88 0.12 3.55 0.00 0.00 -0.69 -5.03 105.19 104.03 3i58 n GLY 37 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3i58 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i58 s HIS 38 N -2.01 3.16 -0.13 1.61 3.76 -0.52 -4.91 115.29 116.26 3i58 s HIS 38 Ca 0.00 0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.09 3i58 s HIS 38 Cb 0.00 -2.98 -0.13 0.00 1.11 0.00 0.00 32.58 30.58 3i58 s HIS 38 CO 0.00 -0.60 -0.02 0.54 -0.85 0.00 0.00 174.74 173.81 3i58 n ARG 39 N 5.81 1.52 -3.48 1.40 5.12 -1.26 -3.60 116.66 122.17 3i58 n ARG 39 Ca -0.04 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.60 3i58 n ARG 39 Cb 0.49 -1.30 -0.04 0.00 -1.16 0.00 0.00 32.46 30.44 3i58 n ARG 39 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3i58 s THR 40 N -2.29 5.05 0.23 0.55 -4.23 -1.26 0.26 115.64 113.95 3i58 s THR 40 Ca -0.11 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 3i58 s THR 40 Cb 0.04 -3.67 0.25 0.00 1.34 0.00 0.00 72.50 70.46 3i58 s THR 40 CO 0.44 -0.14 1.64 0.00 -0.54 0.00 0.00 174.62 176.02 3i58 h ALA 41 N 2.27 0.68 -0.50 3.99 0.00 -1.94 0.79 119.26 124.55 3i58 h ALA 41 Ca -0.47 0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3i58 h ALA 41 Cb 1.18 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 3i58 h ALA 41 CO 0.69 -0.41 0.08 0.00 0.00 0.00 0.00 179.25 179.60 3i58 h ALA 42 N 1.66 0.54 0.62 0.00 0.00 -1.94 0.30 119.26 120.44 3i58 h ALA 42 Ca 0.37 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3i58 h ALA 42 Cb 0.63 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i58 h ALA 42 CO -0.63 -0.33 -0.30 0.93 0.00 0.00 0.00 179.25 178.92 3i58 h GLU 43 N 0.20 -0.80 -0.73 0.00 5.08 -1.32 -2.40 114.58 114.60 3i58 h GLU 43 Ca 0.25 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 3i58 h GLU 43 Cb 0.36 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 3i58 h GLU 43 CO -0.35 -0.49 0.20 0.82 -1.00 0.00 0.00 179.01 178.19 3i58 h ILE 44 N -1.10 0.55 -0.01 3.13 1.08 -0.90 0.23 117.51 120.49 3i58 h ILE 44 Ca -0.09 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3i58 h ILE 44 Cb 0.68 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3i58 h ILE 44 CO 0.14 0.06 -0.06 0.00 -0.69 0.00 0.00 178.15 177.60 3i58 h ALA 45 N 1.59 -0.05 -0.54 1.87 0.00 -0.94 0.52 119.26 121.71 3i58 h ALA 45 Ca 0.41 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3i58 h ALA 45 Cb 0.68 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3i58 h ALA 45 CO -0.48 -0.55 0.02 0.66 0.00 0.00 0.00 179.25 178.90 3i58 h SER 46 N -0.10 0.86 0.84 0.00 4.64 -0.84 1.05 113.55 120.00 3i58 h SER 46 Ca 0.03 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3i58 h SER 46 Cb 0.14 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3i58 h SER 46 CO -0.07 0.91 -0.04 0.00 -0.87 0.00 0.00 176.83 176.76 3i58 h ALA 47 N 1.18 1.02 0.00 5.18 0.00 -0.63 -3.14 119.26 122.87 3i58 h ALA 47 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i58 h ALA 47 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i58 h ALA 47 CO 0.02 0.05 -0.44 0.00 0.00 0.00 0.00 179.25 178.87 3i58 n ALA 48 N -2.12 2.93 -1.96 0.00 0.00 0.14 -5.02 120.51 114.48 3i58 n ALA 48 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i58 n ALA 48 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3i58 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 49 N 1.25 0.49 3.80 0.00 0.00 0.34 -5.02 105.19 106.05 3i58 n GLY 49 Ca 0.01 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 3i58 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i58 s ALA 50 N -2.10 3.70 -0.16 4.61 0.00 -0.03 -5.02 121.76 122.76 3i58 s ALA 50 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 3i58 s ALA 50 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3i58 s ALA 50 CO 0.00 -0.01 1.16 -1.58 0.00 0.00 0.00 175.76 175.33 3i58 s HIS 51 N -2.39 3.12 0.09 0.00 5.65 -1.26 -4.48 115.29 116.02 3i58 s HIS 51 Ca 0.40 1.24 -0.20 0.00 0.25 0.00 0.00 55.06 56.75 3i58 s HIS 51 Cb -0.04 -3.39 -0.06 0.00 -1.18 0.00 0.00 32.58 27.91 3i58 s HIS 51 CO 0.25 -1.13 1.34 0.00 -0.65 0.00 0.00 174.74 174.55 3i58 h ALA 52 N 7.73 -0.55 -0.80 1.58 0.00 -1.92 0.62 119.26 125.93 3i58 h ALA 52 Ca -0.26 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3i58 h ALA 52 Cb 1.11 1.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.87 3i58 h ALA 52 CO 0.94 -0.73 0.49 -0.44 0.00 0.00 0.00 179.25 179.51 3i58 h ASP 53 N -0.20 0.78 0.00 0.00 3.32 -1.94 -0.29 116.42 118.11 3i58 h ASP 53 Ca 0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i58 h ASP 53 Cb 0.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3i58 h ASP 53 CO -0.42 0.51 -0.00 0.28 -1.72 0.00 0.00 179.24 177.89 3i58 h SER 54 N 0.92 -0.01 -0.51 6.45 0.02 -1.90 -1.97 113.55 116.55 3i58 h SER 54 Ca 0.34 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3i58 h SER 54 Cb 0.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3i58 h SER 54 CO -0.16 0.19 0.27 0.25 -1.14 0.00 0.00 176.83 176.24 3i58 h LEU 55 N -0.20 0.40 -0.77 5.07 5.85 -0.55 -0.40 115.31 124.71 3i58 h LEU 55 Ca -0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3i58 h LEU 55 Cb 0.20 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 3i58 h LEU 55 CO 0.00 0.27 0.36 -0.78 -0.34 0.00 0.00 178.44 177.96 3i58 h ASP 56 N 0.52 0.42 -0.40 1.25 3.58 -0.91 0.13 116.42 121.01 3i58 h ASP 56 Ca 0.22 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 3i58 h ASP 56 Cb 0.11 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3i58 h ASP 56 CO -0.14 0.20 0.11 0.03 -2.88 0.00 0.00 179.24 176.56 3i58 h ARG 57 N 0.56 0.71 -0.15 0.28 3.08 -0.33 -0.26 114.38 118.27 3i58 h ARG 57 Ca 0.41 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3i58 h ARG 57 Cb 0.55 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i58 h ARG 57 CO -0.34 0.65 -0.03 1.25 -1.07 0.00 0.00 179.97 180.42 3i58 h LEU 58 N 0.69 0.29 -0.32 3.04 5.85 0.19 -2.73 115.31 122.32 3i58 h LEU 58 Ca 0.16 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3i58 h LEU 58 Cb 0.26 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3i58 h LEU 58 CO -0.00 0.58 0.17 -0.07 -0.34 0.00 0.00 178.44 178.78 3i58 h LEU 59 N -0.01 0.26 -1.26 2.25 3.38 -0.51 -0.63 115.31 118.79 3i58 h LEU 59 Ca 0.04 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3i58 h LEU 59 Cb 0.45 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3i58 h LEU 59 CO 0.01 0.19 0.55 0.03 0.09 0.00 0.00 178.44 179.32 3i58 h ARG 60 N 0.35 0.80 -0.32 1.13 3.08 -1.04 0.36 114.38 118.73 3i58 h ARG 60 Ca 0.13 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3i58 h ARG 60 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3i58 h ARG 60 CO -0.08 0.53 -0.42 1.25 -1.07 0.00 0.00 179.97 180.18 3i58 h HIS 61 N 0.82 0.96 0.00 3.04 2.76 -1.04 -2.55 115.15 119.14 3i58 h HIS 61 Ca 0.39 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3i58 h HIS 61 Cb 0.42 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3i58 h HIS 61 CO -0.00 1.08 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.52 3i58 h LEU 62 N 0.65 0.00 -0.18 0.26 3.38 0.41 -1.90 115.31 117.93 3i58 h LEU 62 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3i58 h LEU 62 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i58 h LEU 62 CO 0.09 0.12 -0.15 0.58 0.09 0.00 0.00 178.44 179.17 3i58 h VAL 63 N 0.00 1.33 -0.94 1.22 2.07 -0.15 -1.49 116.25 118.28 3i58 h VAL 63 Ca -0.00 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.25 3i58 h VAL 63 Cb 0.76 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3i58 h VAL 63 CO 0.02 0.39 0.62 0.00 0.02 0.00 0.00 177.57 178.61 3i58 h ALA 64 N 0.65 1.35 0.00 1.67 0.00 -1.20 -1.68 119.26 120.05 3i58 h ALA 64 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i58 h ALA 64 Cb 0.67 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i58 h ALA 64 CO 0.04 0.60 -0.26 0.28 0.00 0.00 0.00 179.25 179.91 3i58 h VAL 65 N 1.25 1.16 0.00 0.00 2.07 -1.19 -3.47 116.25 116.09 3i58 h VAL 65 Ca 0.35 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3i58 h VAL 65 Cb -0.11 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3i58 h VAL 65 CO -0.08 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.37 3i58 n GLY 66 N -0.78 1.64 0.04 2.17 0.00 -0.63 -5.02 105.19 102.62 3i58 n GLY 66 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i58 n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i58 n LEU 67 N 0.00 0.00 -4.60 0.99 4.77 -0.62 -4.50 117.00 113.05 3i58 n LEU 67 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3i58 n LEU 67 Cb 0.00 0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3i58 n LEU 67 CO 0.00 0.18 -0.21 -0.36 -1.33 0.00 0.00 177.39 175.67 3i58 s PHE 68 N -2.71 1.79 0.02 -1.77 0.08 -1.20 -1.87 117.98 112.32 3i58 s PHE 68 Ca -0.06 -1.22 0.02 0.00 0.12 0.00 0.00 56.93 55.79 3i58 s PHE 68 Cb 0.07 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 3i58 s PHE 68 CO 0.61 -0.16 -0.06 0.99 -0.10 0.00 0.00 175.22 176.50 3i58 s THR 69 N -3.10 0.41 -0.07 0.64 2.01 0.26 -4.59 115.64 111.20 3i58 s THR 69 Ca 0.17 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 3i58 s THR 69 Cb 0.02 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.15 3i58 s THR 69 CO 0.11 -0.12 0.08 -0.60 -0.69 0.00 0.00 174.62 173.40 3i58 s ARG 70 N -0.74 -0.03 0.64 4.92 3.52 -1.26 0.33 118.95 126.32 3i58 s ARG 70 Ca -0.04 0.30 -0.00 0.00 -0.13 0.00 0.00 55.73 55.87 3i58 s ARG 70 Cb -0.05 -0.77 0.08 0.00 -1.56 0.00 0.00 34.95 32.65 3i58 s ARG 70 CO -0.00 -0.40 0.89 0.16 -0.81 0.00 0.00 175.30 175.13 3i58 s ASP 71 N 2.18 4.84 0.49 -2.12 -4.77 -0.44 -4.91 116.67 111.94 3i58 s ASP 71 Ca 0.04 -0.14 0.34 0.00 -3.30 0.00 0.00 52.55 49.49 3i58 s ASP 71 Cb -0.13 -0.51 1.46 0.00 -1.09 0.00 0.00 42.92 42.65 3i58 s ASP 71 CO -0.05 -1.49 1.73 1.23 0.70 0.00 0.00 175.17 177.29 3i58 h GLY 72 N -0.24 0.51 -1.10 2.12 0.00 -2.02 0.36 103.07 102.71 3i58 h GLY 72 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3i58 h GLY 72 CO 0.48 -0.10 0.00 -1.06 0.00 0.00 0.00 176.54 175.85 3i58 n GLN 73 N -4.34 1.84 -0.91 4.80 3.00 -1.26 -4.88 117.38 115.64 3i58 n GLN 73 Ca 0.30 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 3i58 n GLN 73 Cb 1.32 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 30.17 3i58 n GLN 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i58 n GLY 74 N 1.16 0.46 3.61 1.08 0.00 0.13 -5.00 105.19 106.63 3i58 n GLY 74 Ca 0.16 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3i58 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i58 s VAL 75 N -2.00 4.47 0.26 1.61 1.01 -1.24 -4.22 120.40 120.29 3i58 s VAL 75 Ca 0.00 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 3i58 s VAL 75 Cb 0.00 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 3i58 s VAL 75 CO 0.00 -0.63 0.72 -0.31 0.00 0.00 0.00 175.10 174.88 3i58 s TYR 76 N 3.75 3.53 0.05 5.22 1.51 0.14 -1.32 117.35 130.23 3i58 s TYR 76 Ca 0.43 1.30 -0.02 0.00 -1.01 0.00 0.00 57.07 57.77 3i58 s TYR 76 Cb -0.11 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.13 3i58 s TYR 76 CO 0.21 0.24 -0.00 0.20 -1.11 0.00 0.00 175.55 175.08 3i58 s GLY 77 N -1.92 0.43 0.06 0.71 0.00 0.15 -4.73 107.32 102.02 3i58 s GLY 77 Ca 0.47 -1.14 -0.19 0.00 0.00 0.00 0.00 44.72 43.86 3i58 s GLY 77 CO 0.19 -1.26 0.55 1.08 0.00 0.00 0.00 173.10 173.67 3i58 s LEU 78 N -2.91 4.52 0.79 0.66 1.43 -1.26 0.92 118.68 122.83 3i58 s LEU 78 Ca 0.07 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 3i58 s LEU 78 Cb 0.08 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.51 3i58 s LEU 78 CO -0.10 0.27 1.15 -0.89 0.23 0.00 0.00 176.35 177.01 3i58 s THR 79 N -1.03 2.06 0.30 5.49 2.01 -0.78 -4.81 115.64 118.88 3i58 s THR 79 Ca 0.29 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3i58 s THR 79 Cb -0.19 -3.00 0.27 0.00 0.01 0.00 0.00 72.50 69.59 3i58 s THR 79 CO 0.18 0.00 1.95 -0.08 -0.69 0.00 0.00 174.62 175.98 3i58 h GLU 80 N -0.99 1.04 0.02 4.92 4.81 -1.88 -1.91 114.58 120.58 3i58 h GLU 80 Ca -0.46 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.51 3i58 h GLU 80 Cb 1.32 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3i58 h GLU 80 CO 0.63 0.69 -0.95 0.74 -0.73 0.00 0.00 179.01 179.39 3i58 h PHE 81 N 1.07 0.14 0.00 0.92 0.04 -1.88 -3.18 116.94 114.04 3i58 h PHE 81 Ca 0.33 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3i58 h PHE 81 Cb -0.01 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3i58 h PHE 81 CO -0.00 0.97 0.00 0.41 -0.60 0.00 0.00 178.31 179.09 3i58 n GLY 82 N 1.10 -1.13 0.33 -1.45 0.00 -0.74 -2.34 105.19 100.96 3i58 n GLY 82 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i58 n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i58 h GLU 83 N 0.00 0.89 0.00 1.61 4.39 -1.48 -1.73 114.58 118.25 3i58 h GLU 83 Ca 0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3i58 h GLU 83 Cb 0.26 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3i58 h GLU 83 CO 0.00 0.64 0.00 1.04 -1.16 0.00 0.00 179.01 179.53 3i58 n GLN 84 N -4.39 0.00 0.03 2.33 6.02 -0.99 -1.13 117.38 119.25 3i58 n GLN 84 Ca 0.06 0.36 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 3i58 n GLN 84 Cb 0.08 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 29.98 3i58 n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i58 n LEU 85 N -1.36 0.63 -4.76 1.08 4.77 -0.65 -4.10 117.00 112.61 3i58 n LEU 85 Ca 0.00 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3i58 n LEU 85 Cb 0.00 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3i58 n LEU 85 CO 0.00 0.02 0.93 -0.13 -1.33 0.00 0.00 177.39 176.88 3i58 s ARG 86 N -3.14 4.44 0.33 3.23 0.52 -0.29 -4.69 118.95 119.35 3i58 s ARG 86 Ca 0.06 2.09 0.25 0.00 -0.52 0.00 0.00 55.73 57.61 3i58 s ARG 86 Cb 0.15 -3.12 1.18 0.00 0.52 0.00 0.00 34.95 33.67 3i58 s ARG 86 CO 0.75 -0.09 1.76 0.22 0.02 0.00 0.00 175.30 177.96 3i58 h ASP 87 N 3.75 0.00 -0.36 0.23 -0.00 -1.90 -2.57 116.42 115.56 3i58 h ASP 87 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 3i58 h ASP 87 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 3i58 h ASP 87 CO 0.67 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 179.01 3i58 n ASP 88 N -2.38 3.37 -4.76 2.28 5.68 -1.26 -4.94 116.55 114.54 3i58 n ASP 88 Ca 0.00 -1.97 -0.35 0.00 -0.50 0.00 0.00 54.79 51.98 3i58 n ASP 88 Cb 0.16 -0.23 0.04 0.00 -1.14 0.00 0.00 41.12 39.95 3i58 n ASP 88 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3i58 s HIS 89 N -1.44 2.45 0.14 2.11 2.46 -0.97 -4.96 115.29 115.08 3i58 s HIS 89 Ca 0.36 1.55 -0.18 0.00 0.47 0.00 0.00 55.06 57.26 3i58 s HIS 89 Cb 0.21 -3.36 0.03 0.00 -0.13 0.00 0.00 32.58 29.34 3i58 s HIS 89 CO 0.30 -2.01 1.71 0.00 -2.47 0.00 0.00 174.74 172.28 3i58 h ALA 90 N 0.51 0.26 0.00 1.58 0.00 -1.94 -2.80 119.26 116.87 3i58 h ALA 90 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i58 h ALA 90 Cb 1.28 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3i58 h ALA 90 CO 0.54 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3i58 n ALA 91 N -2.42 1.39 -3.58 0.00 0.00 -1.26 -4.89 120.51 109.75 3i58 n ALA 91 Ca -0.00 0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 3i58 n ALA 91 Cb 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3i58 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 92 N -0.58 -0.49 0.15 0.00 0.00 -1.06 -4.90 105.19 98.31 3i58 n GLY 92 Ca 0.01 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3i58 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i58 h LYS 93 N -1.30 0.42 -0.89 1.61 1.57 -1.87 -3.36 116.57 112.76 3i58 h LYS 93 Ca -0.49 -0.39 0.23 0.00 -1.87 0.00 0.00 60.65 58.13 3i58 h LYS 93 Cb 1.33 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.57 3i58 h LYS 93 CO 0.60 1.04 0.06 -0.09 -0.57 0.00 0.00 179.45 180.49 3i58 h ARG 94 N -0.05 0.08 0.00 3.15 2.43 -1.85 0.19 114.38 118.34 3i58 h ARG 94 Ca -0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3i58 h ARG 94 Cb 1.18 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3i58 h ARG 94 CO 0.10 0.05 -0.01 1.57 -1.51 0.00 0.00 179.97 180.17 3i58 h LYS 95 N 0.08 0.00 0.00 0.20 2.10 -1.94 -0.69 116.57 116.33 3i58 h LYS 95 Ca 0.52 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.12 3i58 h LYS 95 Cb 1.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 3i58 h LYS 95 CO -0.78 0.01 -0.28 -1.49 -2.00 0.00 0.00 179.45 174.92 3i58 h TRP 96 N 0.00 0.00 0.00 0.07 4.06 -0.82 -3.24 115.95 116.01 3i58 h TRP 96 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3i58 h TRP 96 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3i58 h TRP 96 CO 0.00 0.28 -1.38 1.28 -3.56 0.00 0.00 178.44 175.06 3i58 n LEU 97 N -3.29 0.47 -4.67 -4.49 4.77 -0.33 -3.20 117.00 106.27 3i58 n LEU 97 Ca 0.01 -0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.51 3i58 n LEU 97 Cb 0.54 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3i58 n LEU 97 CO 0.35 0.02 1.55 -0.67 -1.33 0.00 0.00 177.39 177.32 3i58 n ASP 98 N -2.12 3.65 0.00 -1.43 -0.08 -0.79 -4.70 116.55 111.09 3i58 n ASP 98 Ca -0.00 0.91 0.01 0.00 -1.51 0.00 0.00 54.79 54.19 3i58 n ASP 98 Cb 0.49 -1.43 0.04 0.00 2.34 0.00 0.00 41.12 42.57 3i58 n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3i58 n MET 99 N 7.07 0.02 -0.03 -0.67 2.81 -1.26 -1.51 117.12 123.55 3i58 n MET 99 Ca 0.23 0.29 -0.08 0.00 -1.81 0.00 0.00 57.70 56.32 3i58 n MET 99 Cb 0.34 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 3i58 n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i58 n ASN 100 N -1.31 0.71 -4.77 7.83 3.02 -1.26 -4.02 115.26 115.45 3i58 n ASN 100 Ca 0.01 0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3i58 n ASN 100 Cb 0.01 0.16 0.09 0.00 -0.61 0.00 0.00 39.78 39.44 3i58 n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i58 s SER 101 N -5.94 4.57 0.20 6.41 1.04 -0.57 -4.83 113.70 114.58 3i58 s SER 101 Ca -0.05 1.74 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 3i58 s SER 101 Cb 0.08 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.93 3i58 s SER 101 CO 0.83 -1.98 1.82 0.00 0.98 0.00 0.00 173.24 174.88 3i58 h ALA 102 N -1.09 0.86 -0.11 5.32 0.00 -1.86 -0.45 119.26 121.92 3i58 h ALA 102 Ca -0.44 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3i58 h ALA 102 Cb 1.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i58 h ALA 102 CO 0.53 0.08 -0.73 0.28 0.00 0.00 0.00 179.25 179.41 3i58 h VAL 103 N 0.71 1.34 0.00 0.00 2.07 -1.89 0.12 116.25 118.61 3i58 h VAL 103 Ca 0.28 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 3i58 h VAL 103 Cb 0.12 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3i58 h VAL 103 CO -0.15 0.63 -0.07 1.23 0.02 0.00 0.00 177.57 179.23 3i58 h GLY 104 N 1.04 0.00 0.61 2.17 0.00 -1.47 -1.41 103.07 104.01 3i58 h GLY 104 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.96 3i58 h GLY 104 CO 0.13 0.00 -1.77 -0.09 0.00 0.00 0.00 176.54 174.82 3i58 h ARG 105 N 0.00 0.26 -0.45 4.80 2.43 -0.92 -3.37 114.38 117.14 3i58 h ARG 105 Ca -0.00 -0.45 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 3i58 h ARG 105 Cb 0.63 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3i58 h ARG 105 CO 0.01 1.22 -0.15 0.78 -1.51 0.00 0.00 179.97 180.31 3i58 h GLY 106 N 0.60 0.91 1.37 2.80 0.00 -0.63 -2.92 103.07 105.21 3i58 h GLY 106 Ca -0.38 -0.74 0.09 0.00 0.00 0.00 0.00 47.33 46.30 3i58 h GLY 106 CO 0.07 0.67 0.24 -0.55 0.00 0.00 0.00 176.54 176.97 3i58 h ASP 107 N 0.75 0.05 0.34 0.19 5.19 -1.43 0.66 116.42 122.16 3i58 h ASP 107 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3i58 h ASP 107 Cb 0.67 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3i58 h ASP 107 CO 0.05 0.03 0.00 0.18 -3.12 0.00 0.00 179.24 176.38 3i58 n LEU 108 N -4.45 0.14 0.24 1.55 4.77 -1.10 -1.40 117.00 116.74 3i58 n LEU 108 Ca 0.05 0.54 0.16 0.00 -0.03 0.00 0.00 56.01 56.73 3i58 n LEU 108 Cb 0.37 -0.54 0.71 0.00 -2.33 0.00 0.00 43.42 41.63 3i58 n LEU 108 CO 0.35 -0.43 0.97 1.23 -1.33 0.00 0.00 177.39 178.19 3i58 h GLY 109 N 1.49 0.00 1.95 -0.72 0.00 0.20 -2.54 103.07 103.45 3i58 h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i58 h GLY 109 CO 0.00 0.00 0.02 0.74 0.00 0.00 0.00 176.54 177.30 3i58 h PHE 110 N 0.00 0.00 0.00 5.60 -1.00 -1.40 -0.12 116.94 120.02 3i58 h PHE 110 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3i58 h PHE 110 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3i58 h PHE 110 CO 0.00 0.00 0.00 1.55 -1.61 0.00 0.00 178.31 178.25 3i58 n VAL 111 N -3.66 0.79 -1.34 -0.55 3.14 -0.96 -0.51 118.33 115.24 3i58 n VAL 111 Ca -0.03 0.20 0.08 0.00 -2.96 0.00 0.00 64.34 61.63 3i58 n VAL 111 Cb 0.10 -1.14 0.16 0.00 -1.06 0.00 0.00 33.84 31.91 3i58 n VAL 111 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i58 n GLU 112 N -1.22 1.34 -0.27 1.45 -0.58 -0.06 -4.80 120.64 116.50 3i58 n GLU 112 Ca 0.02 -2.81 0.09 0.00 -0.42 0.00 0.00 57.16 54.04 3i58 n GLU 112 Cb 0.03 -1.48 0.33 0.00 -0.57 0.00 0.00 31.44 29.74 3i58 n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i58 h LEU 113 N 0.42 0.73 -0.91 -4.62 6.46 -0.93 -1.37 115.31 115.10 3i58 h LEU 113 Ca -0.01 0.03 0.19 0.00 -0.12 0.00 0.00 57.88 57.98 3i58 h LEU 113 Cb 1.03 -0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.73 3i58 h LEU 113 CO 0.00 0.41 0.46 0.00 -0.62 0.00 0.00 178.44 178.69 3i58 h ALA 114 N 1.58 1.45 -0.79 1.25 0.00 -1.87 0.72 119.26 121.59 3i58 h ALA 114 Ca 0.42 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 3i58 h ALA 114 Cb 0.52 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3i58 h ALA 114 CO -0.19 -0.21 0.49 1.25 0.00 0.00 0.00 179.25 180.60 3i58 h HIS 115 N 0.55 1.03 -0.24 0.00 -0.00 -1.63 -0.48 115.15 114.38 3i58 h HIS 115 Ca 0.54 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.86 3i58 h HIS 115 Cb 0.91 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 3i58 h HIS 115 CO -0.09 0.68 -0.07 0.77 -0.00 0.00 0.00 177.93 179.23 3i58 h SER 116 N 1.09 0.48 -0.28 3.26 0.02 -1.00 -0.42 113.55 116.70 3i58 h SER 116 Ca 0.29 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3i58 h SER 116 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3i58 h SER 116 CO -0.06 0.74 0.18 0.40 -1.14 0.00 0.00 176.83 176.95 3i58 h ILE 117 N 0.22 1.09 0.08 3.27 1.08 -0.72 0.67 117.51 123.19 3i58 h ILE 117 Ca 0.06 -0.19 -0.14 0.00 -0.39 0.00 0.00 64.86 64.20 3i58 h ILE 117 Cb 0.54 0.67 0.01 0.00 -3.07 0.00 0.00 36.82 34.97 3i58 h ILE 117 CO 0.03 0.09 -0.65 0.03 -0.69 0.00 0.00 178.15 176.96 3i58 h ARG 118 N 0.40 0.18 0.00 2.37 3.08 -0.92 -3.41 114.38 116.09 3i58 h ARG 118 Ca 0.11 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 3i58 h ARG 118 Cb -0.02 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3i58 h ARG 118 CO -0.02 1.15 -1.91 0.25 -1.07 0.00 0.00 179.97 178.37 3i58 n THR 119 N -4.28 0.69 -0.78 2.04 -2.24 -0.18 -4.97 114.28 104.56 3i58 n THR 119 Ca -0.15 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3i58 n THR 119 Cb 0.71 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3i58 n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i58 n GLY 120 N 1.42 0.77 3.94 3.38 0.00 0.23 -5.03 105.19 109.89 3i58 n GLY 120 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 3i58 n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i58 s GLN 121 N -0.22 3.50 0.67 1.61 -1.52 -1.26 -4.89 119.66 117.55 3i58 s GLN 121 Ca 0.00 -0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.83 3i58 s GLN 121 Cb 0.00 -2.82 0.01 0.00 -0.22 0.00 0.00 33.01 29.97 3i58 s GLN 121 CO 0.00 0.37 1.25 -1.25 -0.25 0.00 0.00 175.29 175.41 3i58 s PRO 122 N -3.58 2.43 -0.10 2.91 0.04 -1.26 -3.89 135.00 131.55 3i58 s PRO 122 Ca 0.38 1.94 0.18 0.00 0.04 0.00 0.00 61.00 63.53 3i58 s PRO 122 Cb -0.10 -1.85 -0.24 0.00 0.04 0.00 0.00 34.50 32.35 3i58 s PRO 122 CO 0.30 -1.66 0.37 0.00 0.04 0.00 0.00 177.00 176.05 3i58 n ALA 123 N -2.17 1.78 -0.27 8.56 0.00 0.55 -4.43 120.51 124.52 3i58 n ALA 123 Ca 0.15 -0.98 0.08 0.00 0.00 0.00 0.00 53.44 52.69 3i58 n ALA 123 Cb 0.49 -0.52 0.20 0.00 0.00 0.00 0.00 19.45 19.62 3i58 n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i58 h TYR 124 N 0.00 0.14 -0.89 0.00 5.03 -0.98 0.49 116.97 120.75 3i58 h TYR 124 Ca -0.35 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 60.99 3i58 h TYR 124 Cb 1.90 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 40.20 3i58 h TYR 124 CO 0.00 -0.20 0.49 -1.35 -1.32 0.00 0.00 178.16 175.79 3i58 h PRO 125 N 0.17 1.24 -0.65 1.82 0.11 -1.77 -0.57 132.00 132.36 3i58 h PRO 125 Ca 0.45 -0.14 0.11 0.00 0.11 0.00 0.00 66.00 66.53 3i58 h PRO 125 Cb 0.83 -0.25 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 3i58 h PRO 125 CO -0.63 0.91 0.22 0.28 -0.21 0.00 0.00 178.00 178.57 3i58 h VAL 126 N 1.25 0.70 0.03 3.15 2.07 -1.14 1.06 116.25 123.37 3i58 h VAL 126 Ca 0.32 -0.13 -0.24 0.00 0.82 0.00 0.00 66.70 67.47 3i58 h VAL 126 Cb 0.02 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3i58 h VAL 126 CO -0.05 0.07 -1.17 -0.09 0.02 0.00 0.00 177.57 176.34 3i58 h ARG 127 N 0.38 0.06 -0.01 1.57 2.43 -1.27 -3.38 114.38 114.16 3i58 h ARG 127 Ca 0.34 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3i58 h ARG 127 Cb 0.47 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3i58 h ARG 127 CO -0.36 0.98 -0.08 0.66 -1.51 0.00 0.00 179.97 179.66 3i58 n TYR 128 N -3.35 0.00 -1.56 2.20 4.02 -0.25 -5.01 117.16 113.21 3i58 n TYR 128 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.73 3i58 n TYR 128 Cb 0.98 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.26 3i58 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i58 n GLY 129 N 0.73 0.85 3.61 2.72 0.00 0.36 -4.97 105.19 108.49 3i58 n GLY 129 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3i58 n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i58 s THR 130 N -2.44 0.00 1.07 2.61 -1.32 -1.24 -5.05 115.64 109.28 3i58 s THR 130 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 3i58 s THR 130 Cb 0.00 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.22 3i58 s THR 130 CO 0.00 0.00 1.06 -0.94 -2.21 0.00 0.00 174.62 172.53 3i58 s SER 131 N -2.04 1.86 0.04 8.08 1.04 -1.26 -3.81 113.70 117.60 3i58 s SER 131 Ca 0.09 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.65 3i58 s SER 131 Cb -0.01 -2.08 -0.16 0.00 0.10 0.00 0.00 66.02 63.87 3i58 s SER 131 CO -0.04 -3.63 1.47 0.15 0.98 0.00 0.00 173.24 172.17 3i58 h PHE 132 N -2.23 0.12 -0.46 5.02 3.57 -1.95 -1.96 116.94 119.05 3i58 h PHE 132 Ca -0.58 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 60.84 3i58 h PHE 132 Cb 1.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 3i58 h PHE 132 CO 0.28 0.37 -0.00 -1.49 -2.23 0.00 0.00 178.31 175.24 3i58 h TRP 133 N -0.17 0.80 -0.60 0.41 -0.00 -1.95 -1.08 115.95 113.37 3i58 h TRP 133 Ca 0.02 -0.11 -0.06 0.00 -0.00 0.00 0.00 58.89 58.74 3i58 h TRP 133 Cb 0.32 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 3i58 h TRP 133 CO 0.03 0.75 0.14 0.93 -0.00 0.00 0.00 178.44 180.28 3i58 h GLU 134 N 0.71 0.96 0.12 0.49 5.08 -1.91 -0.01 114.58 120.02 3i58 h GLU 134 Ca 0.14 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3i58 h GLU 134 Cb 0.44 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3i58 h GLU 134 CO 0.02 0.88 -0.09 0.22 -1.00 0.00 0.00 179.01 179.04 3i58 h ASP 135 N 0.87 -0.22 -0.27 1.42 3.58 -0.64 -1.89 116.42 119.26 3i58 h ASP 135 Ca 0.19 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 3i58 h ASP 135 Cb 0.36 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3i58 h ASP 135 CO 0.00 -0.14 0.01 -0.07 -2.88 0.00 0.00 179.24 176.17 3i58 h LEU 136 N -0.21 0.54 -1.67 2.28 3.38 -1.12 -1.90 115.31 116.61 3i58 h LEU 136 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3i58 h LEU 136 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i58 h LEU 136 CO -0.00 0.60 -0.06 1.23 0.09 0.00 0.00 178.44 180.30 3i58 h GLY 137 N 0.86 0.00 -0.37 0.83 0.00 -0.51 -2.92 103.07 100.96 3i58 h GLY 137 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3i58 h GLY 137 CO 0.01 0.00 -0.57 -1.14 0.00 0.00 0.00 176.54 174.84 3i58 n SER 138 N -3.22 1.21 -3.82 0.19 3.41 -0.75 -4.77 113.62 105.86 3i58 n SER 138 Ca -0.00 -1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 57.20 3i58 n SER 138 Cb 0.29 0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 3i58 n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i58 s ASP 139 N -2.26 4.10 0.28 4.04 -1.08 -0.76 -5.00 116.67 116.00 3i58 s ASP 139 Ca 0.10 -2.31 -0.02 0.00 -0.52 0.00 0.00 52.55 49.80 3i58 s ASP 139 Cb 0.13 -1.21 0.44 0.00 -1.46 0.00 0.00 42.92 40.82 3i58 s ASP 139 CO 0.55 -0.33 1.92 -0.65 0.52 0.00 0.00 175.17 177.18 3i58 h PRO 140 N 7.26 1.10 -0.48 4.34 0.11 -1.86 -1.09 132.00 141.38 3i58 h PRO 140 Ca -0.06 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3i58 h PRO 140 Cb 0.97 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 3i58 h PRO 140 CO 0.52 0.73 0.09 0.28 -0.21 0.00 0.00 178.00 179.41 3i58 h VAL 141 N 1.14 1.24 -0.26 3.15 2.07 -1.94 -1.34 116.25 120.31 3i58 h VAL 141 Ca 0.38 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3i58 h VAL 141 Cb 0.08 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3i58 h VAL 141 CO -0.13 0.31 0.17 0.25 0.02 0.00 0.00 177.57 178.20 3i58 h LEU 142 N 0.66 0.30 -1.36 2.57 6.46 -1.79 -2.24 115.31 119.91 3i58 h LEU 142 Ca 0.15 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3i58 h LEU 142 Cb 0.37 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3i58 h LEU 142 CO 0.01 0.23 0.44 -1.28 -0.62 0.00 0.00 178.44 177.21 3i58 h SER 143 N 0.35 0.73 -0.26 1.25 0.87 -1.02 -2.25 113.55 113.22 3i58 h SER 143 Ca 0.09 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3i58 h SER 143 Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3i58 h SER 143 CO -0.02 0.52 0.09 0.00 -0.53 0.00 0.00 176.83 176.90 3i58 h ALA 144 N 1.60 0.34 -0.95 6.23 0.00 -0.72 -1.57 119.26 124.19 3i58 h ALA 144 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3i58 h ALA 144 Cb -0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3i58 h ALA 144 CO -0.06 -0.04 0.61 0.66 0.00 0.00 0.00 179.25 180.42 3i58 h SER 145 N 0.27 1.01 -0.58 0.00 4.64 -0.89 -0.51 113.55 117.49 3i58 h SER 145 Ca 0.09 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3i58 h SER 145 Cb 0.21 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3i58 h SER 145 CO -0.00 0.68 0.34 0.15 -0.87 0.00 0.00 176.83 177.13 3i58 h PHE 146 N 1.17 0.77 -0.79 4.77 3.57 -1.11 -0.88 116.94 124.45 3i58 h PHE 146 Ca 0.39 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.95 3i58 h PHE 146 Cb 0.05 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 3i58 h PHE 146 CO -0.01 0.54 0.46 -0.44 -2.23 0.00 0.00 178.31 176.63 3i58 h ASP 147 N 0.78 0.70 -0.70 0.41 3.32 -0.15 -0.94 116.42 119.84 3i58 h ASP 147 Ca 0.21 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3i58 h ASP 147 Cb -0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3i58 h ASP 147 CO -0.04 0.43 0.19 0.74 -1.72 0.00 0.00 179.24 178.84 3i58 h THR 148 N 0.82 1.26 -0.22 0.35 2.02 -0.70 -1.61 112.91 114.84 3i58 h THR 148 Ca 0.36 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3i58 h THR 148 Cb 0.25 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3i58 h THR 148 CO -0.20 0.36 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 3i58 h LEU 149 N 1.04 0.43 -1.21 2.58 4.07 -0.37 -1.46 115.31 120.39 3i58 h LEU 149 Ca 0.22 -0.37 -0.08 0.00 0.08 0.00 0.00 57.88 57.73 3i58 h LEU 149 Cb 0.35 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3i58 h LEU 149 CO -0.00 0.70 -0.33 0.24 -1.08 0.00 0.00 178.44 177.96 3i58 h MET 150 N 0.15 0.11 -0.57 1.13 2.86 -1.18 -0.09 114.93 117.35 3i58 h MET 150 Ca 0.05 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3i58 h MET 150 Cb 0.51 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3i58 h MET 150 CO 0.02 0.43 0.25 1.03 1.06 0.00 0.00 176.91 179.70 3i58 h SER 151 N 0.09 0.76 -0.54 1.22 0.87 -1.05 -2.55 113.55 112.36 3i58 h SER 151 Ca 0.01 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.32 3i58 h SER 151 Cb 0.64 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3i58 h SER 151 CO 0.05 0.70 -0.04 -0.74 -0.53 0.00 0.00 176.83 176.27 3i58 h HIS 152 N 0.77 1.08 -0.49 2.24 6.17 -0.51 -2.72 115.15 121.69 3i58 h HIS 152 Ca 0.19 -0.20 0.14 0.00 0.71 0.00 0.00 60.37 61.21 3i58 h HIS 152 Cb 0.16 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 3i58 h HIS 152 CO 0.00 0.99 0.35 1.12 0.71 0.00 0.00 177.93 181.11 3i58 h HIS 153 N 0.86 0.02 -0.33 5.26 -0.00 -0.64 -0.90 115.15 119.41 3i58 h HIS 153 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 3i58 h HIS 153 Cb 0.59 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 3i58 h HIS 153 CO 0.04 0.01 0.11 -0.07 -0.00 0.00 0.00 177.93 178.02 3i58 h LEU 154 N 0.01 0.48 -0.56 6.12 3.38 -1.14 0.16 115.31 123.77 3i58 h LEU 154 Ca 0.24 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3i58 h LEU 154 Cb 0.92 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3i58 h LEU 154 CO -0.01 0.55 0.17 -0.33 0.09 0.00 0.00 178.44 178.91 3i58 h GLU 155 N 0.39 0.87 -0.02 1.13 5.08 -1.25 0.15 114.58 120.92 3i58 h GLU 155 Ca 0.11 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i58 h GLU 155 Cb 0.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i58 h GLU 155 CO -0.01 0.80 0.01 -0.07 -1.00 0.00 0.00 179.01 178.75 3i58 h LEU 156 N 0.78 0.03 0.00 1.33 4.07 -1.06 -3.37 115.31 117.10 3i58 h LEU 156 Ca 0.18 -0.09 -0.28 0.00 0.08 0.00 0.00 57.88 57.77 3i58 h LEU 156 Cb 0.30 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 3i58 h LEU 156 CO -0.00 0.11 -2.08 0.47 -1.08 0.00 0.00 178.44 175.85 3i58 n ASP 157 N -5.03 1.08 -1.31 -0.43 8.00 0.53 -4.62 116.55 114.77 3i58 n ASP 157 Ca -0.07 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.48 3i58 n ASP 157 Cb 0.07 0.92 0.24 0.00 -0.02 0.00 0.00 41.12 42.33 3i58 n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i58 n TYR 158 N -2.57 1.23 -1.56 1.24 4.01 0.51 -3.63 117.16 116.38 3i58 n TYR 158 Ca -0.25 -0.43 -0.56 0.00 -0.16 0.00 0.00 57.90 56.50 3i58 n TYR 158 Cb 1.00 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 39.62 3i58 n TYR 158 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3i58 n THR 159 N 0.41 0.21 -0.68 -0.72 -1.04 -1.25 -0.44 114.28 110.77 3i58 n THR 159 Ca 0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3i58 n THR 159 Cb 0.80 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3i58 n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i58 n GLY 160 N 5.45 0.77 0.49 3.41 0.00 -1.26 -4.60 105.19 109.45 3i58 n GLY 160 Ca 0.36 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.69 3i58 n GLY 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i58 h ILE 161 N 0.00 0.45 -0.13 -0.61 6.09 -1.14 -2.51 117.51 119.65 3i58 h ILE 161 Ca 0.00 -0.04 0.05 0.00 -1.37 0.00 0.00 64.86 63.49 3i58 h ILE 161 Cb 0.00 0.30 -0.06 0.00 0.47 0.00 0.00 36.82 37.53 3i58 h ILE 161 CO 0.00 0.02 -0.34 0.00 -3.07 0.00 0.00 178.15 174.77 3i58 h ALA 162 N 1.49 -0.41 0.00 0.18 0.00 -1.92 -3.18 119.26 115.42 3i58 h ALA 162 Ca 0.57 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.28 3i58 h ALA 162 Cb 1.99 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 20.38 3i58 h ALA 162 CO -0.11 -0.82 -1.25 0.00 0.00 0.00 0.00 179.25 177.07 3i58 h ALA 163 N 0.37 0.57 0.00 0.00 0.00 -1.87 -3.37 119.26 114.96 3i58 h ALA 163 Ca 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3i58 h ALA 163 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i58 h ALA 163 CO -0.36 1.27 0.22 0.87 0.00 0.00 0.00 179.25 181.25 3i58 h LYS 164 N 0.00 0.00 -4.09 0.00 1.79 -1.48 -3.42 116.57 109.37 3i58 h LYS 164 Ca -0.13 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 3i58 h LYS 164 Cb 1.79 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 32.30 3i58 h LYS 164 CO 0.10 0.00 -0.56 -0.47 -1.08 0.00 0.00 179.45 177.43 3i58 s TYR 165 N -3.46 0.40 -1.09 -1.35 6.14 -1.25 -5.03 117.35 111.71 3i58 s TYR 165 Ca -0.02 -0.90 -0.14 0.00 0.64 0.00 0.00 57.07 56.65 3i58 s TYR 165 Cb 0.05 -0.27 0.19 0.00 0.42 0.00 0.00 41.96 42.35 3i58 s TYR 165 CO 0.16 -0.45 1.23 0.34 0.64 0.00 0.00 175.55 177.46 3i58 s ASP 166 N -2.91 7.01 -0.06 4.32 2.15 -1.26 -4.82 116.67 121.10 3i58 s ASP 166 Ca 0.07 -2.91 -0.23 0.00 0.43 0.00 0.00 52.55 49.90 3i58 s ASP 166 Cb 0.07 -2.34 -0.19 0.00 -0.30 0.00 0.00 42.92 40.17 3i58 s ASP 166 CO -0.10 -0.68 0.92 -0.50 -0.17 0.00 0.00 175.17 174.64 3i58 h TRP 167 N 7.44 -0.10 -1.19 -5.34 4.06 -1.95 -3.30 115.95 115.58 3i58 h TRP 167 Ca 0.23 -0.00 0.43 0.00 2.06 0.00 0.00 58.89 61.61 3i58 h TRP 167 Cb 0.92 0.03 -0.15 0.00 -1.00 0.00 0.00 29.16 28.96 3i58 h TRP 167 CO 1.03 0.46 0.72 0.00 -3.56 0.00 0.00 178.44 177.09 3i58 h ALA 168 N -0.05 2.48 0.00 1.49 0.00 -1.94 1.11 119.26 122.35 3i58 h ALA 168 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i58 h ALA 168 Cb 0.60 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3i58 h ALA 168 CO 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 179.25 178.09 3i58 n ALA 169 N -2.41 1.84 -0.01 0.00 0.00 -1.24 -2.36 120.51 116.33 3i58 n ALA 169 Ca 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 3i58 n ALA 169 Cb 1.37 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 3i58 n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i58 n LEU 170 N -1.08 0.55 0.00 0.00 4.77 0.38 -4.98 117.00 116.65 3i58 n LEU 170 Ca 0.07 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3i58 n LEU 170 Cb 0.05 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i58 n LEU 170 CO 0.07 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3i58 n GLY 171 N 1.47 1.70 2.94 -0.72 0.00 -1.00 -3.94 105.19 105.64 3i58 n GLY 171 Ca -0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3i58 n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i58 s HIS 172 N 0.00 1.33 -0.04 1.61 5.65 -1.25 -1.07 115.29 121.52 3i58 s HIS 172 Ca 0.00 -0.57 0.04 0.00 0.25 0.00 0.00 55.06 54.79 3i58 s HIS 172 Cb 0.00 -1.08 -0.03 0.00 -1.18 0.00 0.00 32.58 30.30 3i58 s HIS 172 CO 0.00 -0.38 -0.16 0.54 -0.65 0.00 0.00 174.74 174.09 3i58 s VAL 173 N 1.26 2.90 -0.28 0.89 0.11 -0.09 -1.08 120.40 124.11 3i58 s VAL 173 Ca -0.04 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 3i58 s VAL 173 Cb -0.14 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.60 3i58 s VAL 173 CO -0.03 0.58 0.05 -0.69 -3.33 0.00 0.00 175.10 171.68 3i58 s VAL 174 N -0.72 3.75 -0.83 2.04 1.01 0.13 -1.26 120.40 124.52 3i58 s VAL 174 Ca 0.11 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3i58 s VAL 174 Cb -0.10 -2.93 0.12 0.00 0.00 0.00 0.00 36.38 33.46 3i58 s VAL 174 CO 0.00 0.11 1.04 -0.62 0.00 0.00 0.00 175.10 175.63 3i58 s ASP 175 N 1.47 6.48 -0.35 3.32 2.15 -0.12 -0.37 116.67 129.25 3i58 s ASP 175 Ca 0.02 -1.75 -0.29 0.00 0.43 0.00 0.00 52.55 50.97 3i58 s ASP 175 Cb -0.17 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3i58 s ASP 175 CO 0.01 -1.15 1.60 -0.69 -0.17 0.00 0.00 175.17 174.77 3i58 s VAL 176 N 2.96 3.70 0.00 1.11 1.01 0.04 -1.83 120.40 127.39 3i58 s VAL 176 Ca 0.28 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3i58 s VAL 176 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3i58 s VAL 176 CO -0.03 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.13 3i58 n GLY 177 N 5.15 0.46 0.17 4.51 0.00 0.20 -4.40 105.19 111.29 3i58 n GLY 177 Ca 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3i58 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 178 N -1.61 -0.05 7.00 -0.02 0.00 -0.76 -4.87 105.19 104.87 3i58 n GLY 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i58 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 179 N 0.05 1.71 0.00 -0.02 0.00 -1.26 -1.25 105.19 104.41 3i58 n GLY 179 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.66 3i58 n GLY 179 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i58 n SER 180 N -1.47 0.00 -0.18 1.61 7.64 -1.26 -4.21 113.62 115.75 3i58 n SER 180 Ca 0.00 -0.46 -0.02 0.00 1.01 0.00 0.00 58.87 59.40 3i58 n SER 180 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3i58 n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i58 n GLY 181 N -0.28 0.52 0.32 0.23 0.00 -0.38 -3.69 105.19 101.91 3i58 n GLY 181 Ca 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 3i58 n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i58 h GLY 182 N 0.00 1.22 0.59 -0.02 0.00 -1.87 0.34 103.07 103.33 3i58 h GLY 182 Ca -0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i58 h GLY 182 CO 0.07 0.37 -0.03 -2.00 0.00 0.00 0.00 176.54 174.95 3i58 h LEU 183 N 1.08 -0.08 -0.84 3.11 5.85 -1.93 -1.89 115.31 120.61 3i58 h LEU 183 Ca 0.33 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3i58 h LEU 183 Cb -0.03 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3i58 h LEU 183 CO -0.10 0.33 0.56 0.25 -0.34 0.00 0.00 178.44 179.14 3i58 h LEU 184 N -0.50 0.95 -1.70 2.25 5.85 -1.89 0.19 115.31 120.46 3i58 h LEU 184 Ca -0.01 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3i58 h LEU 184 Cb 0.43 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3i58 h LEU 184 CO 0.01 0.68 0.32 -1.28 -0.34 0.00 0.00 178.44 177.84 3i58 h SER 185 N 1.12 0.32 0.24 1.25 0.87 -0.85 0.74 113.55 117.24 3i58 h SER 185 Ca 0.32 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.56 3i58 h SER 185 Cb -0.10 -0.07 0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3i58 h SER 185 CO -0.08 0.21 -1.41 0.00 -0.53 0.00 0.00 176.83 175.01 3i58 h ALA 186 N 1.75 -0.15 -0.10 6.23 0.00 -0.15 -2.69 119.26 124.16 3i58 h ALA 186 Ca 0.21 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i58 h ALA 186 Cb 0.37 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i58 h ALA 186 CO -0.05 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.84 3i58 h LEU 187 N 0.08 0.13 -0.82 0.00 4.07 0.08 -2.76 115.31 116.08 3i58 h LEU 187 Ca -0.25 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.48 3i58 h LEU 187 Cb 2.11 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.80 3i58 h LEU 187 CO 0.26 0.21 -0.35 -0.07 -1.08 0.00 0.00 178.44 177.40 3i58 h LEU 188 N 0.03 0.48 -1.82 1.67 3.38 -1.01 -1.82 115.31 116.23 3i58 h LEU 188 Ca 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3i58 h LEU 188 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i58 h LEU 188 CO -0.00 0.80 -0.15 0.74 0.09 0.00 0.00 178.44 179.92 3i58 h THR 189 N 0.39 0.83 -0.39 0.22 2.02 -1.41 -2.15 112.91 112.43 3i58 h THR 189 Ca 0.04 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3i58 h THR 189 Cb 0.81 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3i58 h THR 189 CO 0.07 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.10 3i58 n ALA 190 N -2.39 2.42 -3.15 6.16 0.00 -0.91 -4.68 120.51 117.97 3i58 n ALA 190 Ca -0.02 -0.99 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 3i58 n ALA 190 Cb 0.23 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 3i58 n ALA 190 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i58 n HIS 191 N 1.49 -1.89 -0.21 0.00 8.25 -0.73 -5.04 115.22 117.10 3i58 n HIS 191 Ca 0.20 -2.66 0.12 0.00 -0.26 0.00 0.00 57.72 55.11 3i58 n HIS 191 Cb 0.61 0.64 0.23 0.00 1.12 0.00 0.00 29.99 32.59 3i58 n HIS 191 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i58 n GLU 192 N 2.66 -0.05 -0.05 -0.41 -0.58 -1.25 0.46 120.64 121.42 3i58 n GLU 192 Ca 0.24 0.90 0.12 0.00 -0.42 0.00 0.00 57.16 58.01 3i58 n GLU 192 Cb 0.52 -1.49 0.43 0.00 -0.57 0.00 0.00 31.44 30.33 3i58 n GLU 192 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i58 n ASP 193 N -4.68 1.63 -4.85 1.62 9.92 -1.26 -4.92 116.55 114.01 3i58 n ASP 193 Ca 0.17 -1.63 -0.34 0.00 -0.53 0.00 0.00 54.79 52.46 3i58 n ASP 193 Cb 0.57 -0.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.92 3i58 n ASP 193 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i58 s LEU 194 N -1.73 4.26 0.08 0.64 2.96 0.17 -4.88 118.68 120.19 3i58 s LEU 194 Ca 0.34 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 3i58 s LEU 194 Cb 0.19 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 3i58 s LEU 194 CO 0.29 0.01 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.33 3i58 s SER 195 N -1.96 0.99 0.15 3.68 1.04 -0.24 -4.90 113.70 112.46 3i58 s SER 195 Ca 0.43 -0.93 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 3i58 s SER 195 Cb -0.13 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.16 3i58 s SER 195 CO 0.20 -0.44 1.05 -0.83 0.98 0.00 0.00 173.24 174.19 3i58 s GLY 196 N -2.77 -0.03 0.00 7.32 0.00 -0.71 -0.91 107.32 110.21 3i58 s GLY 196 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3i58 s GLY 196 CO -0.05 1.70 -0.00 -0.51 0.00 0.00 0.00 173.10 174.24 3i58 s THR 197 N -2.49 0.02 -0.20 0.90 -4.23 -0.39 -1.80 115.64 107.45 3i58 s THR 197 Ca 0.19 -0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 3i58 s THR 197 Cb -0.02 -0.04 -0.04 0.00 1.34 0.00 0.00 72.50 73.74 3i58 s THR 197 CO 0.03 -0.07 0.40 -0.69 -0.54 0.00 0.00 174.62 173.76 3i58 s VAL 198 N -0.20 5.19 -0.20 2.29 1.01 0.70 -0.94 120.40 128.26 3i58 s VAL 198 Ca -0.02 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 3i58 s VAL 198 Cb -0.01 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3i58 s VAL 198 CO -0.00 0.24 -0.05 -0.22 0.00 0.00 0.00 175.10 175.07 3i58 s LEU 199 N 1.36 2.95 0.18 3.92 1.98 -0.76 -0.60 118.68 127.70 3i58 s LEU 199 Ca 0.19 -0.33 -0.23 0.00 -2.89 0.00 0.00 54.13 50.87 3i58 s LEU 199 Cb -0.15 -1.73 0.07 0.00 0.66 0.00 0.00 46.19 45.04 3i58 s LEU 199 CO 0.08 0.04 0.99 -0.62 -1.89 0.00 0.00 176.35 174.95 3i58 s ASP 200 N 1.11 -0.08 1.03 3.68 -1.08 -1.11 0.63 116.67 120.84 3i58 s ASP 200 Ca 0.01 -0.56 -0.12 0.00 -0.52 0.00 0.00 52.55 51.36 3i58 s ASP 200 Cb -0.15 0.51 0.21 0.00 -1.46 0.00 0.00 42.92 42.03 3i58 s ASP 200 CO -0.00 -0.98 1.07 -0.76 0.52 0.00 0.00 175.17 175.02 3i58 s LEU 201 N -3.15 1.67 0.39 -1.34 1.43 -1.25 -1.62 118.68 114.82 3i58 s LEU 201 Ca 0.17 1.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.98 3i58 s LEU 201 Cb -0.02 -3.78 0.88 0.00 0.03 0.00 0.00 46.19 43.30 3i58 s LEU 201 CO 0.04 -3.49 1.95 0.06 0.23 0.00 0.00 176.35 175.14 3i58 h GLN 202 N -2.14 0.58 0.60 1.70 3.07 -1.94 -2.19 115.11 114.80 3i58 h GLN 202 Ca -0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.13 3i58 h GLN 202 Cb 1.31 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 28.74 3i58 h GLN 202 CO 0.50 0.38 -0.29 0.78 0.09 0.00 0.00 178.83 180.30 3i58 h GLY 203 N 0.60 -0.85 1.01 0.06 0.00 -1.98 -1.94 103.07 99.97 3i58 h GLY 203 Ca 0.32 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.97 3i58 h GLY 203 CO -0.11 -0.31 0.45 -2.55 0.00 0.00 0.00 176.54 174.03 3i58 h PRO 204 N -0.89 0.90 -0.96 4.80 0.11 -1.87 -2.25 132.00 131.84 3i58 h PRO 204 Ca -0.08 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.05 3i58 h PRO 204 Cb 0.62 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.46 3i58 h PRO 204 CO 0.14 0.60 0.62 0.00 -0.21 0.00 0.00 178.00 179.14 3i58 h ALA 205 N 1.25 1.49 -0.00 -0.75 0.00 -1.44 0.34 119.26 120.14 3i58 h ALA 205 Ca 0.25 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3i58 h ALA 205 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3i58 h ALA 205 CO -0.05 0.34 -0.58 0.66 0.00 0.00 0.00 179.25 179.62 3i58 h SER 206 N 1.06 0.01 0.08 0.00 4.64 -1.01 -0.86 113.55 117.47 3i58 h SER 206 Ca 0.43 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 3i58 h SER 206 Cb 0.26 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3i58 h SER 206 CO -0.18 0.59 -0.58 0.00 -0.87 0.00 0.00 176.83 175.79 3i58 h ALA 207 N 1.41 0.70 -0.55 5.18 0.00 -0.37 -1.57 119.26 124.06 3i58 h ALA 207 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3i58 h ALA 207 Cb 1.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3i58 h ALA 207 CO 0.08 0.70 0.14 0.00 0.00 0.00 0.00 179.25 180.17 3i58 h ALA 208 N 0.98 0.73 -0.00 0.00 0.00 -0.06 -2.11 119.26 118.80 3i58 h ALA 208 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i58 h ALA 208 Cb 1.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i58 h ALA 208 CO 0.11 0.42 0.00 1.25 0.00 0.00 0.00 179.25 181.02 3i58 h HIS 209 N 0.78 0.00 -0.77 0.00 6.17 -1.00 -0.87 115.15 119.46 3i58 h HIS 209 Ca 0.17 -0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.40 3i58 h HIS 209 Cb 0.33 -0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.20 3i58 h HIS 209 CO 0.02 0.09 0.51 -0.09 0.71 0.00 0.00 177.93 179.18 3i58 h ARG 210 N -0.09 0.47 0.04 5.26 2.43 -1.14 -1.14 114.38 120.21 3i58 h ARG 210 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i58 h ARG 210 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3i58 h ARG 210 CO -0.00 0.31 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.66 3i58 h ARG 211 N 0.48 -0.05 -1.00 0.20 2.43 -0.82 -2.78 114.38 112.84 3i58 h ARG 211 Ca 0.38 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 3i58 h ARG 211 Cb 0.79 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 3i58 h ARG 211 CO -0.13 0.51 0.66 0.74 -1.51 0.00 0.00 179.97 180.23 3i58 h PHE 212 N -0.66 1.24 0.37 2.20 0.04 -0.76 0.46 116.94 119.83 3i58 h PHE 212 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3i58 h PHE 212 Cb 0.58 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3i58 h PHE 212 CO 0.12 0.72 -0.43 -0.07 -0.60 0.00 0.00 178.31 178.05 3i58 h LEU 213 N 1.29 -1.21 -1.21 1.54 -0.00 -1.26 0.14 115.31 114.60 3i58 h LEU 213 Ca 0.39 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 58.36 3i58 h LEU 213 Cb -0.02 0.41 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 3i58 h LEU 213 CO -0.12 -0.55 0.33 0.44 -0.00 0.00 0.00 178.44 178.54 3i58 h ASP 214 N -0.81 0.78 1.20 -0.43 5.19 -1.18 -2.41 116.42 118.75 3i58 h ASP 214 Ca -0.04 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 3i58 h ASP 214 Cb 0.72 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3i58 h ASP 214 CO -0.09 0.64 0.00 0.74 -3.12 0.00 0.00 179.24 177.42 3i58 h THR 215 N 0.88 0.00 -0.42 0.35 2.02 0.08 -3.47 112.91 112.35 3i58 h THR 215 Ca 0.22 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3i58 h THR 215 Cb 0.05 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3i58 h THR 215 CO -0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.47 3i58 n GLY 216 N 0.31 0.71 0.20 2.16 0.00 -0.22 -4.97 105.19 103.38 3i58 n GLY 216 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.33 3i58 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i58 n LEU 217 N -0.21 1.49 0.17 0.99 4.77 -0.13 -4.66 117.00 119.41 3i58 n LEU 217 Ca 0.00 -1.09 0.18 0.00 -0.03 0.00 0.00 56.01 55.08 3i58 n LEU 217 Cb 0.46 -0.01 0.74 0.00 -2.33 0.00 0.00 43.42 42.28 3i58 n LEU 217 CO 0.00 0.33 1.16 0.77 -1.33 0.00 0.00 177.39 178.32 3i58 h SER 218 N 0.95 0.00 0.70 -1.43 4.64 -1.73 0.43 113.55 117.10 3i58 h SER 218 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3i58 h SER 218 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3i58 h SER 218 CO 0.00 0.00 -0.38 1.23 -0.87 0.00 0.00 176.83 176.81 3i58 h GLY 219 N 0.00 0.00 0.00 -0.77 0.00 -1.92 -3.34 103.07 97.04 3i58 h GLY 219 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3i58 h GLY 219 CO -0.00 0.00 -1.21 0.54 0.00 0.00 0.00 176.54 175.87 3i58 n ARG 220 N -3.66 0.56 -4.91 4.80 1.74 0.81 -5.02 116.66 110.99 3i58 n ARG 220 Ca -0.01 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 3i58 n ARG 220 Cb 0.48 -1.10 -0.15 0.00 -1.02 0.00 0.00 32.46 30.67 3i58 n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i58 s ALA 221 N -2.27 2.52 0.13 7.54 0.00 0.11 -1.75 121.76 128.05 3i58 s ALA 221 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3i58 s ALA 221 Cb 0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3i58 s ALA 221 CO 0.18 0.32 -0.11 1.14 0.00 0.00 0.00 175.76 177.29 3i58 s GLN 222 N 0.13 0.99 0.22 0.00 -2.07 -0.74 -4.32 119.66 113.87 3i58 s GLN 222 Ca -0.08 -1.32 0.09 0.00 -1.82 0.00 0.00 55.36 52.23 3i58 s GLN 222 Cb -0.15 -0.66 -0.04 0.00 -1.09 0.00 0.00 33.01 31.07 3i58 s GLN 222 CO 0.05 0.10 -0.05 0.14 -1.32 0.00 0.00 175.29 174.21 3i58 s VAL 223 N -2.80 3.33 -0.08 3.63 -7.23 -1.26 -0.22 120.40 115.77 3i58 s VAL 223 Ca 0.12 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3i58 s VAL 223 Cb -0.01 -2.71 0.05 0.00 0.56 0.00 0.00 36.38 34.27 3i58 s VAL 223 CO 0.01 -0.24 0.15 -0.69 -0.31 0.00 0.00 175.10 174.02 3i58 s VAL 224 N -2.02 -0.24 -0.20 1.32 1.01 0.23 -4.88 120.40 115.63 3i58 s VAL 224 Ca 0.28 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 3i58 s VAL 224 Cb -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3i58 s VAL 224 CO 0.18 0.14 1.05 -0.69 0.00 0.00 0.00 175.10 175.78 3i58 s VAL 225 N 2.28 4.66 0.00 2.92 1.01 -1.26 -2.74 120.40 127.26 3i58 s VAL 225 Ca 0.03 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.00 3i58 s VAL 225 Cb -0.12 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.98 3i58 s VAL 225 CO -0.05 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.52 3i58 n GLY 226 N 3.30 0.70 3.78 4.51 0.00 -0.64 -4.94 105.19 111.91 3i58 n GLY 226 Ca 0.11 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3i58 n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i58 s SER 227 N 0.00 7.04 0.00 1.61 0.15 -1.26 -3.90 113.70 117.34 3i58 s SER 227 Ca 0.00 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.88 3i58 s SER 227 Cb 0.00 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3i58 s SER 227 CO 0.00 0.19 0.80 2.22 1.20 0.00 0.00 173.24 177.65 3i58 n PHE 228 N 2.22 0.00 0.06 3.44 1.16 -1.26 -2.22 117.46 120.86 3i58 n PHE 228 Ca -0.08 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.61 3i58 n PHE 228 Cb 0.51 -0.03 -0.08 0.00 -1.61 0.00 0.00 39.48 38.27 3i58 n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i58 n PHE 229 N -0.35 0.52 -2.81 2.97 3.01 -1.26 -4.56 117.46 114.99 3i58 n PHE 229 Ca 0.00 0.15 -0.20 0.00 1.01 0.00 0.00 57.45 58.41 3i58 n PHE 229 Cb 0.07 -0.74 0.05 0.00 -0.01 0.00 0.00 39.48 38.84 3i58 n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i58 s ASP 230 N -4.95 5.19 0.47 4.37 1.01 -0.94 -4.97 116.67 116.85 3i58 s ASP 230 Ca -0.04 -0.34 -0.24 0.00 0.71 0.00 0.00 52.55 52.64 3i58 s ASP 230 Cb 0.12 -0.45 -0.08 0.00 1.01 0.00 0.00 42.92 43.52 3i58 s ASP 230 CO 0.84 -1.20 1.31 -2.65 0.21 0.00 0.00 175.17 173.68 3i58 n PRO 231 N -2.27 1.87 -3.67 8.23 -0.02 -1.26 -4.94 135.00 132.94 3i58 n PRO 231 Ca 0.11 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 3i58 n PRO 231 Cb 0.60 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3i58 n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i58 s LEU 232 N -2.36 3.73 0.06 2.45 1.02 -1.26 -4.99 118.68 117.34 3i58 s LEU 232 Ca 0.65 -0.39 -0.34 0.00 0.02 0.00 0.00 54.13 54.07 3i58 s LEU 232 Cb -0.47 -2.42 -0.13 0.00 0.02 0.00 0.00 46.19 43.20 3i58 s LEU 232 CO 0.55 -0.40 1.68 -2.65 0.02 0.00 0.00 176.35 175.56 3i58 n PRO 233 N -1.49 2.13 -2.52 1.29 -0.02 -1.26 -4.86 135.00 128.27 3i58 n PRO 233 Ca -0.01 0.77 -0.26 0.00 -2.02 0.00 0.00 63.50 61.99 3i58 n PRO 233 Cb 0.59 -2.56 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3i58 n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i58 s ALA 234 N 2.08 3.41 -1.29 3.55 0.00 -1.26 -4.61 121.76 123.65 3i58 s ALA 234 Ca 0.84 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 3i58 s ALA 234 Cb -0.69 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3i58 s ALA 234 CO 0.43 -0.72 1.11 0.41 0.00 0.00 0.00 175.76 177.00 3i58 n GLY 235 N -2.48 -0.47 3.96 0.00 0.00 -0.09 -5.03 105.19 101.08 3i58 n GLY 235 Ca 0.04 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3i58 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i58 s ALA 236 N -3.32 3.80 0.27 4.61 0.00 -1.25 -4.99 121.76 120.88 3i58 s ALA 236 Ca 0.43 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3i58 s ALA 236 Cb -0.19 -2.10 0.36 0.00 0.00 0.00 0.00 23.12 21.19 3i58 s ALA 236 CO 0.71 -0.36 1.62 0.78 0.00 0.00 0.00 175.76 178.51 3i58 h GLY 237 N 0.43 0.10 -4.63 0.00 0.00 -1.23 -3.42 103.07 94.33 3i58 h GLY 237 Ca -0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3i58 h GLY 237 CO 0.57 0.11 0.11 -0.32 0.00 0.00 0.00 176.54 177.01 3i58 s GLY 238 N -4.39 -0.52 -0.16 4.60 0.00 -1.08 -2.21 107.32 103.56 3i58 s GLY 238 Ca -0.03 1.63 0.01 0.00 0.00 0.00 0.00 44.72 46.33 3i58 s GLY 238 CO 0.77 1.33 -0.17 -0.19 0.00 0.00 0.00 173.10 174.84 3i58 s TYR 239 N -0.29 2.77 -0.12 1.90 1.51 0.56 0.23 117.35 123.91 3i58 s TYR 239 Ca -0.05 -1.18 -0.04 0.00 -1.01 0.00 0.00 57.07 54.79 3i58 s TYR 239 Cb -0.03 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3i58 s TYR 239 CO 0.04 -0.55 0.05 0.08 -1.11 0.00 0.00 175.55 174.06 3i58 s VAL 240 N 0.92 4.71 -0.47 0.71 1.01 0.50 -0.17 120.40 127.61 3i58 s VAL 240 Ca -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3i58 s VAL 240 Cb -0.15 -3.03 0.13 0.00 0.00 0.00 0.00 36.38 33.32 3i58 s VAL 240 CO -0.02 0.58 0.23 -0.76 0.00 0.00 0.00 175.10 175.12 3i58 s LEU 241 N -0.62 3.72 -0.46 3.92 1.43 -0.04 -0.78 118.68 125.83 3i58 s LEU 241 Ca 0.11 -2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 50.26 3i58 s LEU 241 Cb -0.12 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.75 3i58 s LEU 241 CO 0.02 -0.26 0.46 -0.55 0.23 0.00 0.00 176.35 176.26 3i58 s SER 242 N 0.07 6.18 -1.33 2.29 0.15 -1.26 -0.66 113.70 119.15 3i58 s SER 242 Ca 0.17 -1.00 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 3i58 s SER 242 Cb -0.25 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 3i58 s SER 242 CO -0.01 -0.68 0.99 0.00 1.20 0.00 0.00 173.24 174.74 3i58 n ALA 243 N 5.58 -1.69 -0.02 5.45 0.00 -0.20 -4.92 120.51 124.71 3i58 n ALA 243 Ca -0.09 0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3i58 n ALA 243 Cb 0.45 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 16.29 3i58 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i58 n VAL 244 N -4.52 0.99 -0.35 0.00 0.31 -1.26 -4.75 118.33 108.75 3i58 n VAL 244 Ca -0.15 0.12 0.14 0.00 -0.01 0.00 0.00 64.34 64.44 3i58 n VAL 244 Cb 0.62 -1.76 0.34 0.00 -0.91 0.00 0.00 33.84 32.12 3i58 n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i58 h LEU 245 N -0.36 0.76 0.00 7.52 3.38 -1.91 0.15 115.31 124.85 3i58 h LEU 245 Ca -0.11 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i58 h LEU 245 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3i58 h LEU 245 CO -0.07 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3i58 n HIS 246 N -4.77 0.00 1.27 1.13 1.44 -1.26 -1.51 115.22 111.53 3i58 n HIS 246 Ca 0.24 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.08 3i58 n HIS 246 Cb 0.60 -0.36 0.47 0.00 0.12 0.00 0.00 29.99 30.82 3i58 n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i58 n ASP 247 N -1.36 0.70 -4.27 4.39 8.00 0.51 -2.02 116.55 122.51 3i58 n ASP 247 Ca 0.05 -0.63 -0.22 0.00 0.71 0.00 0.00 54.79 54.69 3i58 n ASP 247 Cb 0.11 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 3i58 n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i58 s TRP 248 N -2.56 1.65 1.13 1.24 0.52 -0.57 -4.23 118.94 116.12 3i58 s TRP 248 Ca 0.24 -0.44 -0.17 0.00 0.02 0.00 0.00 56.10 55.75 3i58 s TRP 248 Cb 0.19 -0.89 0.25 0.00 -1.15 0.00 0.00 33.47 31.87 3i58 s TRP 248 CO 0.52 0.19 1.13 0.16 0.02 0.00 0.00 176.95 178.97 3i58 s ASP 249 N -2.01 1.56 0.27 2.95 1.47 -1.24 -4.27 116.67 115.39 3i58 s ASP 249 Ca 0.06 0.69 -0.02 0.00 1.18 0.00 0.00 52.55 54.46 3i58 s ASP 249 Cb -0.09 -0.99 0.41 0.00 -0.34 0.00 0.00 42.92 41.91 3i58 s ASP 249 CO 0.04 -3.74 1.90 0.44 0.68 0.00 0.00 175.17 174.49 3i58 h ASP 250 N -2.32 1.03 0.27 2.11 5.19 -1.95 -0.80 116.42 119.95 3i58 h ASP 250 Ca -0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 3i58 h ASP 250 Cb 1.30 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.59 3i58 h ASP 250 CO 0.40 0.68 -0.13 -0.07 -3.12 0.00 0.00 179.24 176.99 3i58 h LEU 251 N 1.18 -0.30 -0.81 1.55 -0.00 -2.01 -2.63 115.31 112.29 3i58 h LEU 251 Ca 0.42 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 3i58 h LEU 251 Cb 0.12 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 3i58 h LEU 251 CO -0.15 -0.09 0.44 0.28 -0.00 0.00 0.00 178.44 178.91 3i58 h SER 252 N -0.51 1.02 -0.59 -0.43 0.02 -1.90 -2.08 113.55 109.09 3i58 h SER 252 Ca -0.04 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3i58 h SER 252 Cb 0.38 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 3i58 h SER 252 CO 0.06 0.83 0.29 0.00 -1.14 0.00 0.00 176.83 176.87 3i58 h ALA 253 N 1.23 0.77 -0.21 3.77 0.00 -1.08 0.74 119.26 124.47 3i58 h ALA 253 Ca 0.28 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3i58 h ALA 253 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i58 h ALA 253 CO -0.04 -0.08 -0.42 -0.39 0.00 0.00 0.00 179.25 178.32 3i58 h VAL 254 N 0.53 1.31 0.06 0.00 -1.51 -1.24 0.49 116.25 115.90 3i58 h VAL 254 Ca 0.27 -1.60 0.02 0.00 -1.23 0.00 0.00 66.70 64.17 3i58 h VAL 254 Cb 0.22 1.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.95 3i58 h VAL 254 CO -0.21 0.50 -0.28 0.00 -1.23 0.00 0.00 177.57 176.35 3i58 h ALA 255 N 1.12 -0.44 -0.08 5.19 0.00 -0.54 0.89 119.26 125.41 3i58 h ALA 255 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i58 h ALA 255 Cb 0.92 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3i58 h ALA 255 CO 0.08 -0.80 0.05 0.82 0.00 0.00 0.00 179.25 179.40 3i58 h ILE 256 N -0.46 1.02 -0.78 0.00 2.04 -0.69 -2.11 117.51 116.53 3i58 h ILE 256 Ca 0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3i58 h ILE 256 Cb 0.52 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3i58 h ILE 256 CO -0.20 0.02 0.49 -0.07 0.00 0.00 0.00 178.15 178.39 3i58 h LEU 257 N 0.10 0.93 -0.13 1.44 3.38 -0.44 -2.51 115.31 118.08 3i58 h LEU 257 Ca 0.03 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3i58 h LEU 257 Cb -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3i58 h LEU 257 CO -0.01 0.71 -0.12 -0.09 0.09 0.00 0.00 178.44 179.02 3i58 h ARG 258 N 1.07 -0.14 -0.66 1.13 2.43 0.11 0.22 114.38 118.54 3i58 h ARG 258 Ca 0.28 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 3i58 h ARG 258 Cb -0.07 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 3i58 h ARG 258 CO -0.06 -0.09 0.25 0.00 -1.51 0.00 0.00 179.97 178.56 3i58 h ARG 259 N -0.15 0.41 -0.38 0.20 2.47 -1.07 0.18 114.38 116.04 3i58 h ARG 259 Ca 0.09 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3i58 h ARG 259 Cb 0.27 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 3i58 h ARG 259 CO -0.22 0.27 0.11 0.00 0.56 0.00 0.00 179.97 180.69 3i58 h ALA 261 N 1.58 -0.09 -0.00 0.00 0.00 0.13 0.14 119.26 121.02 3i58 h ALA 261 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i58 h ALA 261 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3i58 h ALA 261 CO -0.01 -0.48 -0.23 0.93 0.00 0.00 0.00 179.25 179.46 3i58 h GLU 262 N -0.22 -0.35 -0.11 0.00 5.08 -0.58 -0.49 114.58 117.91 3i58 h GLU 262 Ca -0.01 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3i58 h GLU 262 Cb 0.19 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3i58 h GLU 262 CO 0.01 -0.23 -0.20 0.00 -1.00 0.00 0.00 179.01 177.60 3i58 h ALA 263 N 0.50 1.47 -0.36 3.43 0.00 -1.09 -2.96 119.26 120.24 3i58 h ALA 263 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3i58 h ALA 263 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i58 h ALA 263 CO -0.21 0.38 -0.41 0.00 0.00 0.00 0.00 179.25 179.01 3i58 h ALA 264 N 1.63 0.58 -1.79 0.00 0.00 -0.09 -0.21 119.26 119.38 3i58 h ALA 264 Ca 0.03 -0.46 0.19 0.00 0.00 0.00 0.00 54.91 54.67 3i58 h ALA 264 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3i58 h ALA 264 CO 0.03 0.68 -0.25 0.41 0.00 0.00 0.00 179.25 180.12 3i58 n GLY 265 N 0.15 -1.92 0.22 0.00 0.00 -0.25 -1.30 105.19 102.10 3i58 n GLY 265 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i58 n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i58 n SER 266 N -2.64 0.32 0.00 1.61 3.41 -1.26 -3.01 113.62 112.04 3i58 n SER 266 Ca 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 3i58 n SER 266 Cb 0.32 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3i58 n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i58 n GLY 267 N 0.18 -1.00 3.86 5.00 0.00 -1.24 -4.94 105.19 107.05 3i58 n GLY 267 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i58 n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i58 s GLY 268 N -0.10 2.56 -0.01 -0.02 0.00 -0.42 -4.93 107.32 104.40 3i58 s GLY 268 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.76 3i58 s GLY 268 CO 0.00 -2.01 -0.18 0.14 0.00 0.00 0.00 173.10 171.05 3i58 s VAL 269 N -2.80 1.43 -0.23 1.40 1.01 -0.94 -4.52 120.40 115.76 3i58 s VAL 269 Ca 0.26 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3i58 s VAL 269 Cb -0.01 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 3i58 s VAL 269 CO 0.16 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 3i58 s VAL 270 N -0.47 3.37 -0.37 2.92 1.01 0.52 -0.32 120.40 127.06 3i58 s VAL 270 Ca 0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3i58 s VAL 270 Cb -0.07 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.82 3i58 s VAL 270 CO -0.00 0.38 0.15 -0.76 0.00 0.00 0.00 175.10 174.87 3i58 s LEU 271 N 1.47 4.71 -0.25 3.92 1.43 0.76 0.02 118.68 130.73 3i58 s LEU 271 Ca 0.05 -1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 51.41 3i58 s LEU 271 Cb -0.15 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3i58 s LEU 271 CO -0.03 -0.43 0.71 -0.69 0.23 0.00 0.00 176.35 176.14 3i58 s VAL 272 N 1.30 4.93 -0.31 -1.59 1.01 -0.18 -0.86 120.40 124.70 3i58 s VAL 272 Ca 0.02 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.31 3i58 s VAL 272 Cb -0.21 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.23 3i58 s VAL 272 CO -0.00 -0.01 -0.01 -0.63 0.00 0.00 0.00 175.10 174.45 3i58 s ILE 273 N 2.61 2.61 0.08 2.22 1.01 0.17 -0.84 121.20 129.05 3i58 s ILE 273 Ca 0.30 -1.71 -0.27 0.00 0.00 0.00 0.00 60.65 58.96 3i58 s ILE 273 Cb -0.15 -2.62 0.08 0.00 0.01 0.00 0.00 42.46 39.78 3i58 s ILE 273 CO 0.08 -0.23 0.93 -1.83 0.00 0.00 0.00 174.94 173.89 3i58 s GLU 274 N 1.13 1.00 -0.42 2.79 -1.05 -0.89 -1.03 118.70 120.22 3i58 s GLU 274 Ca -0.02 -0.48 -0.28 0.00 -0.15 0.00 0.00 54.97 54.04 3i58 s GLU 274 Cb -0.20 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 3i58 s GLU 274 CO -0.04 -0.45 1.76 0.00 0.95 0.00 0.00 175.26 177.47 3i58 s ALA 275 N -3.19 2.70 0.38 -0.84 0.00 -1.26 -2.29 121.76 117.25 3i58 s ALA 275 Ca 0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 3i58 s ALA 275 Cb -0.01 -4.08 -0.10 0.00 0.00 0.00 0.00 23.12 18.92 3i58 s ALA 275 CO -0.03 -2.95 0.90 0.08 0.00 0.00 0.00 175.76 173.75 3i58 s VAL 276 N 7.28 4.41 -0.30 0.00 1.01 -1.26 -4.66 120.40 126.89 3i58 s VAL 276 Ca 0.73 1.45 -0.35 0.00 0.00 0.00 0.00 61.98 63.82 3i58 s VAL 276 Cb -0.18 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 3i58 s VAL 276 CO 0.30 -0.17 2.11 0.00 0.00 0.00 0.00 175.10 177.34 3i58 n ALA 277 N -0.26 0.97 0.00 5.51 0.00 -0.75 -0.79 120.51 125.20 3i58 n ALA 277 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i58 n ALA 277 Cb 0.53 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3i58 n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 278 N 5.98 4.25 3.45 0.00 0.00 -1.26 -4.76 105.19 112.85 3i58 n GLY 278 Ca 0.37 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 3i58 n GLY 278 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i58 n ASP 279 N 0.00 -1.76 -0.02 1.61 8.00 0.03 -4.89 116.55 119.53 3i58 n ASP 279 Ca 0.00 0.32 0.14 0.00 0.71 0.00 0.00 54.79 55.96 3i58 n ASP 279 Cb 0.00 -1.24 0.62 0.00 -0.02 0.00 0.00 41.12 40.48 3i58 n ASP 279 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3i58 n GLU 280 N -2.10 0.22 -0.51 -1.24 0.28 -1.26 -3.00 120.64 113.03 3i58 n GLU 280 Ca 0.07 -0.03 0.05 0.00 -0.16 0.00 0.00 57.16 57.09 3i58 n GLU 280 Cb 0.54 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 32.14 3i58 n GLU 280 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3i58 n HIS 281 N -1.36 0.91 -3.61 -1.84 8.25 -1.24 -4.81 115.22 111.51 3i58 n HIS 281 Ca 0.10 -1.09 -0.29 0.00 -0.26 0.00 0.00 57.72 56.18 3i58 n HIS 281 Cb 0.30 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 30.94 3i58 n HIS 281 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i58 s ALA 282 N -2.95 1.71 0.48 -1.41 0.00 -1.16 -4.88 121.76 113.54 3i58 s ALA 282 Ca 0.42 -2.34 0.05 0.00 0.00 0.00 0.00 51.96 50.09 3i58 s ALA 282 Cb 0.35 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3i58 s ALA 282 CO 0.06 -2.08 0.20 0.20 0.00 0.00 0.00 175.76 174.14 3i58 s GLY 283 N 0.57 2.52 0.52 0.00 0.00 -1.26 -4.21 107.32 105.46 3i58 s GLY 283 Ca 0.19 -1.44 0.18 0.00 0.00 0.00 0.00 44.72 43.65 3i58 s GLY 283 CO -0.01 -2.00 2.13 -0.91 0.00 0.00 0.00 173.10 172.32 3i58 h THR 284 N 1.22 0.94 -0.14 0.90 1.35 -1.99 -1.53 112.91 113.65 3i58 h THR 284 Ca -0.41 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3i58 h THR 284 Cb 1.28 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3i58 h THR 284 CO 0.68 0.04 0.08 1.23 -0.25 0.00 0.00 175.52 177.29 3i58 h GLY 285 N 0.12 0.20 1.24 5.82 0.00 -2.00 -1.82 103.07 106.63 3i58 h GLY 285 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3i58 h GLY 285 CO 0.00 0.08 0.16 1.98 0.00 0.00 0.00 176.54 178.76 3i58 h MET 286 N 0.15 0.95 -0.74 4.80 -1.53 -1.71 -2.28 114.93 114.57 3i58 h MET 286 Ca 0.05 -0.20 0.01 0.00 -3.44 0.00 0.00 59.70 56.11 3i58 h MET 286 Cb 0.03 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 30.91 3i58 h MET 286 CO -0.01 0.84 0.48 0.22 0.14 0.00 0.00 176.91 178.59 3i58 h ASP 287 N 0.91 0.86 0.88 1.39 3.58 -0.97 -1.60 116.42 121.47 3i58 h ASP 287 Ca 0.20 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.51 3i58 h ASP 287 Cb 0.32 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3i58 h ASP 287 CO -0.00 0.63 -0.51 -0.07 -2.88 0.00 0.00 179.24 176.41 3i58 h LEU 288 N 1.01 0.00 -0.31 2.28 3.38 -0.81 -2.62 115.31 118.24 3i58 h LEU 288 Ca 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3i58 h LEU 288 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i58 h LEU 288 CO -0.06 0.51 -0.17 -0.09 0.09 0.00 0.00 178.44 178.73 3i58 h ARG 289 N 0.00 0.66 -0.62 1.13 2.43 -0.79 -0.05 114.38 117.14 3i58 h ARG 289 Ca -0.01 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3i58 h ARG 289 Cb 1.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3i58 h ARG 289 CO 0.07 0.89 0.37 0.52 -1.51 0.00 0.00 179.97 180.30 3i58 h MET 290 N 0.42 0.83 0.08 0.20 2.86 -1.23 0.17 114.93 118.26 3i58 h MET 290 Ca 0.07 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i58 h MET 290 Cb 0.70 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3i58 h MET 290 CO 0.05 0.59 -0.04 1.25 1.06 0.00 0.00 176.91 179.82 3i58 h LEU 291 N 0.85 -0.10 -1.03 1.22 5.85 -1.22 0.19 115.31 121.06 3i58 h LEU 291 Ca 0.22 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3i58 h LEU 291 Cb -0.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3i58 h LEU 291 CO -0.04 0.31 -0.42 0.71 -0.34 0.00 0.00 178.44 178.66 3i58 h THR 292 N -0.52 1.31 0.18 1.05 1.35 -0.69 -1.30 112.91 114.29 3i58 h THR 292 Ca -0.01 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 3i58 h THR 292 Cb 0.44 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3i58 h THR 292 CO 0.02 0.44 -0.08 1.88 -0.25 0.00 0.00 175.52 177.52 3i58 h TYR 293 N 0.11 -0.22 0.00 4.73 -1.99 -0.70 0.24 116.97 119.13 3i58 h TYR 293 Ca 0.01 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i58 h TYR 293 Cb 0.79 0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.59 3i58 h TYR 293 CO 0.01 0.01 0.00 1.19 -0.00 0.00 0.00 178.16 179.37 3i58 n PHE 294 N -4.92 0.00 -1.31 4.88 3.01 -0.65 -4.44 117.46 114.03 3i58 n PHE 294 Ca -0.05 -0.12 -0.01 0.00 1.01 0.00 0.00 57.45 58.29 3i58 n PHE 294 Cb 0.17 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 3i58 n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i58 n GLY 295 N -0.12 0.41 0.00 1.37 0.00 -0.26 -4.69 105.19 101.90 3i58 n GLY 295 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3i58 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 296 N -2.36 0.24 3.55 -0.02 0.00 0.50 -3.71 105.19 103.39 3i58 n GLY 296 Ca -0.01 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 3i58 n GLY 296 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i58 s LYS 297 N -2.03 0.79 0.28 1.61 -2.85 -0.85 -3.12 119.74 113.56 3i58 s LYS 297 Ca 0.00 0.16 -0.28 0.00 -1.00 0.00 0.00 55.97 54.85 3i58 s LYS 297 Cb 0.00 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 3i58 s LYS 297 CO 0.00 -0.25 0.96 -1.21 0.10 0.00 0.00 175.35 174.95 3i58 s GLU 298 N -1.25 4.72 0.15 1.78 2.02 -1.26 -4.40 118.70 120.46 3i58 s GLU 298 Ca -0.05 1.47 0.10 0.00 0.02 0.00 0.00 54.97 56.51 3i58 s GLU 298 Cb -0.00 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3i58 s GLU 298 CO 0.04 0.38 -0.23 1.03 0.02 0.00 0.00 175.26 176.50 3i58 s ARG 299 N -1.54 1.36 0.71 1.61 0.52 -1.26 -4.90 118.95 115.45 3i58 s ARG 299 Ca 0.45 -1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 3i58 s ARG 299 Cb -0.24 -1.68 0.03 0.00 0.52 0.00 0.00 34.95 33.57 3i58 s ARG 299 CO 0.30 0.38 1.08 -1.54 0.02 0.00 0.00 175.30 175.54 3i58 s SER 300 N -2.31 5.25 0.49 0.23 1.04 -1.26 -1.81 113.70 115.33 3i58 s SER 300 Ca 0.15 0.97 0.20 0.00 0.48 0.00 0.00 55.95 57.75 3i58 s SER 300 Cb -0.09 -1.72 1.26 0.00 0.10 0.00 0.00 66.02 65.57 3i58 s SER 300 CO 0.07 -1.43 2.07 0.25 0.98 0.00 0.00 173.24 175.18 3i58 h LEU 301 N -0.66 0.00 -0.13 2.42 5.85 -1.96 -1.49 115.31 119.34 3i58 h LEU 301 Ca -0.45 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.04 3i58 h LEU 301 Cb 1.27 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.31 3i58 h LEU 301 CO 0.64 0.12 -0.82 0.00 -0.34 0.00 0.00 178.44 178.04 3i58 h ALA 302 N 1.88 0.28 -0.11 1.25 0.00 -1.99 -2.81 119.26 117.76 3i58 h ALA 302 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 3i58 h ALA 302 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i58 h ALA 302 CO 0.02 0.68 -0.42 0.93 0.00 0.00 0.00 179.25 180.46 3i58 h GLU 303 N 0.53 0.24 -0.25 0.00 5.08 -1.66 -2.22 114.58 116.30 3i58 h GLU 303 Ca -0.06 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 3i58 h GLU 303 Cb 1.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 3i58 h GLU 303 CO 0.17 0.63 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.36 3i58 h LEU 304 N 0.20 0.59 -0.38 1.33 3.38 -1.39 -2.71 115.31 116.33 3i58 h LEU 304 Ca 0.02 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3i58 h LEU 304 Cb 0.84 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3i58 h LEU 304 CO 0.07 0.91 0.20 1.23 0.09 0.00 0.00 178.44 180.93 3i58 h GLY 305 N 1.05 0.52 0.90 0.83 0.00 -1.14 0.21 103.07 105.44 3i58 h GLY 305 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.27 3i58 h GLY 305 CO 0.07 0.11 0.56 0.83 0.00 0.00 0.00 176.54 178.11 3i58 h GLU 306 N 0.40 1.07 -0.13 4.80 5.08 -1.24 0.64 114.58 125.19 3i58 h GLU 306 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3i58 h GLU 306 Cb 0.06 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3i58 h GLU 306 CO -0.11 0.70 0.03 -0.07 -1.00 0.00 0.00 179.01 178.57 3i58 h LEU 307 N 1.10 0.20 -0.40 1.33 3.38 -1.09 -2.36 115.31 117.47 3i58 h LEU 307 Ca 0.34 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3i58 h LEU 307 Cb -0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3i58 h LEU 307 CO -0.11 0.37 0.02 0.00 0.09 0.00 0.00 178.44 178.82 3i58 h ALA 308 N 0.84 0.39 -0.32 1.53 0.00 0.01 -2.09 119.26 119.61 3i58 h ALA 308 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3i58 h ALA 308 Cb 0.25 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3i58 h ALA 308 CO 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 179.25 178.63 3i58 h ALA 309 N 1.34 -0.07 0.00 0.00 0.00 -0.68 0.42 119.26 120.27 3i58 h ALA 309 Ca 0.20 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i58 h ALA 309 Cb 0.27 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i58 h ALA 309 CO -0.31 -0.65 0.00 1.04 0.00 0.00 0.00 179.25 179.33 3i58 n GLN 310 N -5.39 0.11 -0.12 0.00 6.02 -0.81 -1.09 117.38 116.10 3i58 n GLN 310 Ca 0.00 0.11 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 3i58 n GLN 310 Cb 0.30 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.16 3i58 n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i58 n ALA 311 N -1.13 2.15 -1.43 -1.58 0.00 0.13 -4.97 120.51 113.68 3i58 n ALA 311 Ca 0.03 -2.13 -0.12 0.00 0.00 0.00 0.00 53.44 51.22 3i58 n ALA 311 Cb 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 3i58 n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 312 N -1.07 1.22 3.66 0.00 0.00 -0.25 -4.68 105.19 104.06 3i58 n GLY 312 Ca 0.11 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3i58 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i58 s LEU 313 N -2.86 3.13 -0.07 0.99 1.43 -0.22 -0.33 118.68 120.74 3i58 s LEU 313 Ca 0.00 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3i58 s LEU 313 Cb 0.00 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.67 3i58 s LEU 313 CO 0.00 -0.16 0.16 0.00 0.23 0.00 0.00 176.35 176.58 3i58 s ALA 314 N -2.42 -0.31 0.30 4.21 0.00 -0.64 -3.06 121.76 119.84 3i58 s ALA 314 Ca 0.34 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 3i58 s ALA 314 Cb -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 3i58 s ALA 314 CO 0.20 -0.15 1.41 0.08 0.00 0.00 0.00 175.76 177.30 3i58 s VAL 315 N 1.03 2.57 0.00 0.00 1.01 -1.26 -2.35 120.40 121.39 3i58 s VAL 315 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3i58 s VAL 315 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3i58 s VAL 315 CO -0.05 0.10 0.00 0.54 0.00 0.00 0.00 175.10 175.69 3i58 n ARG 316 N 1.50 1.91 -4.03 2.72 5.12 0.81 -4.95 116.66 119.74 3i58 n ARG 316 Ca 0.04 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 3i58 n ARG 316 Cb 0.41 -0.95 -0.05 0.00 -1.16 0.00 0.00 32.46 30.70 3i58 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i58 s ALA 317 N -1.84 0.08 -0.41 7.54 0.00 -1.17 -5.00 121.76 120.95 3i58 s ALA 317 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3i58 s ALA 317 Cb 0.00 1.10 0.19 0.00 0.00 0.00 0.00 23.12 24.42 3i58 s ALA 317 CO 0.00 -0.82 0.86 0.00 0.00 0.00 0.00 175.76 175.79 3i58 s ALA 318 N -3.77 -3.20 -0.11 0.00 0.00 -1.25 -2.31 121.76 111.12 3i58 s ALA 318 Ca 0.25 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 3i58 s ALA 318 Cb -0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3i58 s ALA 318 CO 0.12 -2.35 0.56 -1.01 0.00 0.00 0.00 175.76 173.07 3i58 s HIS 319 N 1.33 3.51 -0.10 0.00 3.76 -0.76 -4.86 115.29 118.18 3i58 s HIS 319 Ca 0.22 0.99 -0.28 0.00 -0.15 0.00 0.00 55.06 55.84 3i58 s HIS 319 Cb 0.03 -2.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 3i58 s HIS 319 CO -0.09 0.10 0.94 -1.25 -0.85 0.00 0.00 174.74 173.59 3i58 s PRO 320 N 0.84 4.42 -0.45 8.40 0.04 -1.26 -0.70 135.00 146.29 3i58 s PRO 320 Ca 0.29 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 3i58 s PRO 320 Cb -0.16 -3.53 0.12 0.00 0.04 0.00 0.00 34.50 30.97 3i58 s PRO 320 CO 0.12 -0.24 0.22 0.42 0.04 0.00 0.00 177.00 177.56 3i58 s ILE 321 N 1.77 3.06 0.00 0.56 1.09 0.30 -4.96 121.20 123.02 3i58 s ILE 321 Ca 0.46 -2.44 0.00 0.00 -1.10 0.00 0.00 60.65 57.57 3i58 s ILE 321 Cb -0.18 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.11 3i58 s ILE 321 CO 0.18 -0.72 0.00 -0.24 -0.10 0.00 0.00 174.94 174.06 3i58 n SER 322 N 4.13 0.00 -0.08 3.58 2.88 -1.26 -1.96 113.62 120.91 3i58 n SER 322 Ca 0.02 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.70 3i58 n SER 322 Cb 0.40 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.38 3i58 n SER 322 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3i58 n TYR 323 N 11.01 0.00 -3.74 0.66 4.01 -1.24 -4.89 117.16 122.97 3i58 n TYR 323 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i58 n TYR 323 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 3i58 n TYR 323 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3i58 n VAL 324 N -1.15 0.00 -4.07 -0.72 0.24 -0.83 -3.62 118.33 108.18 3i58 n VAL 324 Ca 0.11 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.34 3i58 n VAL 324 Cb 0.31 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.58 3i58 n VAL 324 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i58 s SER 325 N -0.49 0.45 -0.28 -1.34 0.01 -0.97 -0.54 113.70 110.54 3i58 s SER 325 Ca 0.00 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.34 3i58 s SER 325 Cb 0.00 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.49 3i58 s SER 325 CO 0.00 -0.57 -0.06 -0.63 0.41 0.00 0.00 173.24 172.38 3i58 s ILE 326 N -3.68 2.35 -0.20 1.44 1.01 0.12 -2.10 121.20 120.15 3i58 s ILE 326 Ca 0.05 -1.69 -0.09 0.00 0.00 0.00 0.00 60.65 58.91 3i58 s ILE 326 Cb 0.06 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3i58 s ILE 326 CO -0.09 -0.13 0.10 0.68 0.00 0.00 0.00 174.94 175.50 3i58 s VAL 327 N 1.10 5.13 -0.25 2.92 -7.23 -0.02 -1.83 120.40 120.23 3i58 s VAL 327 Ca -0.05 0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.11 3i58 s VAL 327 Cb -0.20 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.36 3i58 s VAL 327 CO -0.05 0.44 0.15 -0.70 -0.31 0.00 0.00 175.10 174.63 3i58 s GLU 328 N 0.42 3.96 0.06 4.82 2.12 -0.98 -1.01 118.70 128.09 3i58 s GLU 328 Ca 0.06 -0.33 0.09 0.00 0.36 0.00 0.00 54.97 55.15 3i58 s GLU 328 Cb -0.12 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 3i58 s GLU 328 CO -0.01 -0.03 -0.24 -1.64 -0.54 0.00 0.00 175.26 172.80 3i58 s MET 329 N 1.30 1.83 0.27 4.30 -1.94 0.10 -0.13 119.30 125.03 3i58 s MET 329 Ca 0.07 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 52.96 3i58 s MET 329 Cb -0.14 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 3i58 s MET 329 CO 0.06 0.51 0.14 0.95 -0.01 0.00 0.00 175.02 176.67 3i58 s THR 330 N -0.88 0.31 0.14 2.05 -4.23 -0.99 -0.36 115.64 111.68 3i58 s THR 330 Ca 0.13 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.29 3i58 s THR 330 Cb -0.10 -2.55 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 3i58 s THR 330 CO 0.04 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.48 3i58 n ALA 331 N -0.47 -0.14 0.00 3.99 0.00 -1.26 -1.62 120.51 121.00 3i58 n ALA 331 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i58 n ALA 331 Cb 0.65 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3i58 n ALA 331 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39