#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i53 h LEU 10 N 0.00 0.43 -1.62 0.99 7.12 -2.05 -1.87 115.31 118.31 3i53 h LEU 10 Ca 0.00 -0.92 -0.02 0.00 0.13 0.00 0.00 57.88 57.07 3i53 h LEU 10 Cb 0.00 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 39.99 3i53 h LEU 10 CO 0.00 1.45 -0.08 -0.09 -0.13 0.00 0.00 178.44 179.58 3i53 h ARG 11 N -0.38 0.00 0.14 1.25 2.43 -2.05 -2.43 114.38 113.35 3i53 h ARG 11 Ca -0.18 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.73 3i53 h ARG 11 Cb 1.66 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.23 3i53 h ARG 11 CO 0.12 0.08 -1.10 0.00 -1.51 0.00 0.00 179.97 177.56 3i53 h ALA 12 N 1.92 -0.06 0.00 2.80 0.00 -1.99 -3.05 119.26 118.88 3i53 h ALA 12 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 3i53 h ALA 12 Cb 0.49 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i53 h ALA 12 CO 0.01 0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 179.70 3i53 h LEU 13 N 0.03 0.00 -1.52 0.00 3.38 -0.88 -1.99 115.31 114.33 3i53 h LEU 13 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i53 h LEU 13 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3i53 h LEU 13 CO 0.21 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3i53 n ALA 14 N -2.46 2.49 -1.78 1.53 0.00 -0.96 -4.97 120.51 114.36 3i53 n ALA 14 Ca -0.03 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 3i53 n ALA 14 Cb 0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3i53 n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i53 s ASP 15 N -1.60 6.41 -0.01 0.00 2.15 -0.75 -4.89 116.67 117.97 3i53 s ASP 15 Ca 0.34 2.91 0.10 0.00 0.43 0.00 0.00 52.55 56.33 3i53 s ASP 15 Cb 0.19 -2.63 -0.15 0.00 -0.30 0.00 0.00 42.92 40.03 3i53 s ASP 15 CO 0.29 -0.89 0.22 0.18 -0.17 0.00 0.00 175.17 174.79 3i53 n LEU 16 N 2.31 0.00 0.07 -1.34 4.77 -1.26 -4.64 117.00 116.92 3i53 n LEU 16 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3i53 n LEU 16 Cb 0.38 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 3i53 n LEU 16 CO 0.63 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 177.44 3i53 h ALA 17 N 0.91 -0.24 -0.23 -1.18 0.00 -1.99 -2.29 119.26 114.24 3i53 h ALA 17 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i53 h ALA 17 Cb 0.47 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i53 h ALA 17 CO 0.00 -0.68 -0.03 1.15 0.00 0.00 0.00 179.25 179.69 3i53 h THR 18 N -0.30 1.27 -0.85 0.00 2.02 -1.99 -0.68 112.91 112.39 3i53 h THR 18 Ca 0.04 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.28 3i53 h THR 18 Cb 0.35 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3i53 h THR 18 CO -0.14 0.31 0.54 -0.65 0.37 0.00 0.00 175.52 175.95 3i53 h PRO 19 N 0.18 1.00 -0.12 6.66 0.11 -1.81 -0.32 132.00 137.71 3i53 h PRO 19 Ca 0.06 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3i53 h PRO 19 Cb 0.47 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3i53 h PRO 19 CO 0.02 0.66 -0.71 0.52 -0.21 0.00 0.00 178.00 178.28 3i53 h MET 20 N 1.03 0.52 -0.66 1.05 2.86 -1.41 -1.88 114.93 116.44 3i53 h MET 20 Ca 0.35 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3i53 h MET 20 Cb 0.05 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3i53 h MET 20 CO -0.13 1.03 0.44 0.00 1.06 0.00 0.00 176.91 179.31 3i53 h ALA 21 N 0.85 0.84 -0.04 6.32 0.00 -0.52 0.23 119.26 126.94 3i53 h ALA 21 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i53 h ALA 21 Cb 1.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i53 h ALA 21 CO 0.13 0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.95 3i53 h VAL 22 N 0.90 1.05 -0.67 0.00 2.07 -0.96 -1.86 116.25 116.77 3i53 h VAL 22 Ca 0.24 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3i53 h VAL 22 Cb -0.10 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3i53 h VAL 22 CO -0.05 0.04 0.28 0.03 0.02 0.00 0.00 177.57 177.88 3i53 h ARG 23 N 0.01 0.98 -0.53 1.57 3.08 -0.85 -1.24 114.38 117.41 3i53 h ARG 23 Ca 0.01 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3i53 h ARG 23 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3i53 h ARG 23 CO -0.00 0.79 -0.01 0.28 -1.07 0.00 0.00 179.97 179.96 3i53 h VAL 24 N 0.96 1.26 -0.40 2.04 2.07 -0.41 -1.16 116.25 120.62 3i53 h VAL 24 Ca 0.23 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3i53 h VAL 24 Cb 0.17 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3i53 h VAL 24 CO -0.02 0.39 0.22 0.00 0.02 0.00 0.00 177.57 178.18 3i53 h ALA 25 N 0.94 0.51 -0.39 1.67 0.00 -0.88 -0.19 119.26 120.93 3i53 h ALA 25 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i53 h ALA 25 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i53 h ALA 25 CO 0.03 0.03 0.25 0.00 0.00 0.00 0.00 179.25 179.56 3i53 h ALA 26 N 1.08 0.50 -0.57 0.00 0.00 -1.13 0.14 119.26 119.28 3i53 h ALA 26 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i53 h ALA 26 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3i53 h ALA 26 CO -0.02 -0.03 0.34 1.15 0.00 0.00 0.00 179.25 180.69 3i53 h THR 27 N 0.53 1.17 0.00 0.00 2.02 -0.93 -0.49 112.91 115.21 3i53 h THR 27 Ca 0.14 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3i53 h THR 27 Cb -0.04 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3i53 h THR 27 CO -0.03 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.22 3i53 n LEU 28 N -4.64 0.00 -3.84 2.58 4.77 -0.11 -4.91 117.00 110.86 3i53 n LEU 28 Ca 0.03 0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 3i53 n LEU 28 Cb 0.06 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3i53 n LEU 28 CO 0.36 -0.02 0.02 0.54 -1.33 0.00 0.00 177.39 176.96 3i53 n ARG 29 N -1.29 -5.17 -0.28 3.23 1.74 0.41 -4.75 116.66 110.54 3i53 n ARG 29 Ca 0.13 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 3i53 n ARG 29 Cb 0.23 -5.32 0.13 0.00 -1.02 0.00 0.00 32.46 26.48 3i53 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i53 h VAL 30 N -1.99 1.00 -0.71 1.55 2.07 -1.61 -1.73 116.25 114.83 3i53 h VAL 30 Ca -0.59 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3i53 h VAL 30 Cb 1.37 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3i53 h VAL 30 CO 0.63 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.80 3i53 h ALA 31 N 1.39 0.90 0.08 1.67 0.00 -1.86 -0.18 119.26 121.26 3i53 h ALA 31 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i53 h ALA 31 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i53 h ALA 31 CO -0.19 0.38 -0.04 -0.44 0.00 0.00 0.00 179.25 178.96 3i53 h ASP 32 N 0.97 -0.09 -0.68 0.00 3.32 -1.68 -1.35 116.42 116.91 3i53 h ASP 32 Ca 0.25 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.31 3i53 h ASP 32 Cb -0.02 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 3i53 h ASP 32 CO -0.05 0.01 0.34 0.45 -1.72 0.00 0.00 179.24 178.28 3i53 h HIS 33 N -0.19 0.62 0.23 4.55 3.86 -1.01 -0.05 115.15 123.16 3i53 h HIS 33 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3i53 h HIS 33 Cb 0.15 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3i53 h HIS 33 CO -0.05 0.25 -0.21 0.82 0.86 0.00 0.00 177.93 179.61 3i53 h ILE 34 N 0.61 0.55 -0.17 2.45 2.04 -0.81 -1.01 117.51 121.16 3i53 h ILE 34 Ca 0.32 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.23 3i53 h ILE 34 Cb 0.30 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3i53 h ILE 34 CO -0.24 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.06 3i53 h ALA 35 N 0.25 2.00 0.00 1.87 0.00 -0.75 0.69 119.26 123.32 3i53 h ALA 35 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i53 h ALA 35 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i53 h ALA 35 CO -0.04 -0.23 -0.18 0.00 0.00 0.00 0.00 179.25 178.80 3i53 h ALA 36 N 1.87 0.92 0.00 0.00 0.00 0.21 -3.47 119.26 118.80 3i53 h ALA 36 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i53 h ALA 36 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i53 h ALA 36 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3i53 n GLY 37 N 0.74 1.16 3.48 0.00 0.00 0.24 -5.08 105.19 105.73 3i53 n GLY 37 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3i53 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i53 s HIS 38 N -0.81 2.56 -1.28 1.61 3.76 -0.67 -4.81 115.29 115.66 3i53 s HIS 38 Ca 0.00 -0.40 0.11 0.00 -0.15 0.00 0.00 55.06 54.62 3i53 s HIS 38 Cb 0.00 -4.38 0.07 0.00 1.11 0.00 0.00 32.58 29.38 3i53 s HIS 38 CO 0.00 -1.77 0.81 0.54 -0.85 0.00 0.00 174.74 173.48 3i53 n ARG 39 N 8.18 0.68 -3.96 1.40 1.74 -1.26 -3.26 116.66 120.17 3i53 n ARG 39 Ca -0.02 -1.07 -0.28 0.00 -0.77 0.00 0.00 57.85 55.72 3i53 n ARG 39 Cb 0.46 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 3i53 n ARG 39 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i53 s THR 40 N -0.95 5.19 0.13 0.55 2.01 -1.26 0.78 115.64 122.08 3i53 s THR 40 Ca 0.12 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 3i53 s THR 40 Cb 0.09 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3i53 s THR 40 CO 0.15 -0.01 1.68 0.00 -0.69 0.00 0.00 174.62 175.75 3i53 h ALA 41 N 2.54 -0.06 -1.00 7.40 0.00 -1.93 0.26 119.26 126.46 3i53 h ALA 41 Ca -0.47 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.50 3i53 h ALA 41 Cb 1.18 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3i53 h ALA 41 CO 0.70 -0.59 0.66 0.00 0.00 0.00 0.00 179.25 180.02 3i53 h ALA 42 N 0.89 1.30 -0.30 0.00 0.00 -1.95 0.39 119.26 119.59 3i53 h ALA 42 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3i53 h ALA 42 Cb 0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i53 h ALA 42 CO -0.21 0.63 -0.17 0.93 0.00 0.00 0.00 179.25 180.43 3i53 h GLU 43 N 1.33 0.64 -0.01 0.00 5.08 -1.77 -1.02 114.58 118.83 3i53 h GLU 43 Ca 0.38 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i53 h GLU 43 Cb -0.11 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3i53 h GLU 43 CO -0.09 0.88 0.00 0.82 -1.00 0.00 0.00 179.01 179.62 3i53 h ILE 44 N 0.39 1.21 -0.37 3.13 2.04 -0.26 -1.40 117.51 122.25 3i53 h ILE 44 Ca 0.06 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3i53 h ILE 44 Cb 0.71 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3i53 h ILE 44 CO 0.05 0.17 0.26 0.00 0.00 0.00 0.00 178.15 178.63 3i53 h ALA 45 N 0.74 2.26 -0.15 1.87 0.00 -0.92 0.53 119.26 123.58 3i53 h ALA 45 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3i53 h ALA 45 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i53 h ALA 45 CO 0.00 -0.36 -0.39 1.03 0.00 0.00 0.00 179.25 179.54 3i53 h SER 46 N 0.07 0.61 -0.26 0.00 0.87 -0.78 0.42 113.55 114.49 3i53 h SER 46 Ca 0.17 -0.58 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 3i53 h SER 46 Cb 0.61 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3i53 h SER 46 CO -0.01 1.07 -0.43 0.00 -0.53 0.00 0.00 176.83 176.93 3i53 h ALA 47 N 0.55 0.40 -0.01 6.23 0.00 -0.05 -3.19 119.26 123.18 3i53 h ALA 47 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i53 h ALA 47 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i53 h ALA 47 CO 0.08 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 3i53 n ALA 48 N -2.53 2.63 -3.38 0.00 0.00 0.17 -4.95 120.51 112.45 3i53 n ALA 48 Ca -0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 3i53 n ALA 48 Cb 0.56 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.86 3i53 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 49 N 1.16 -0.34 2.86 0.00 0.00 0.61 -5.00 105.19 104.49 3i53 n GLY 49 Ca 0.19 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 3i53 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 n ALA 50 N -4.14 0.42 -2.56 4.61 0.00 0.12 -5.02 120.51 113.93 3i53 n ALA 50 Ca -0.20 -1.76 -0.41 0.00 0.00 0.00 0.00 53.44 51.07 3i53 n ALA 50 Cb 0.63 0.90 -0.08 0.00 0.00 0.00 0.00 19.45 20.91 3i53 n ALA 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i53 s HIS 51 N -2.35 3.18 0.17 0.00 5.65 -1.26 -4.67 115.29 116.01 3i53 s HIS 51 Ca 0.06 0.20 -0.19 0.00 0.25 0.00 0.00 55.06 55.38 3i53 s HIS 51 Cb -0.00 -2.95 0.11 0.00 -1.18 0.00 0.00 32.58 28.56 3i53 s HIS 51 CO 0.04 -0.55 1.63 0.00 -0.65 0.00 0.00 174.74 175.21 3i53 h ALA 52 N 8.46 0.13 -0.26 1.58 0.00 -1.90 0.26 119.26 127.51 3i53 h ALA 52 Ca -0.28 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i53 h ALA 52 Cb 1.12 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3i53 h ALA 52 CO 0.78 -0.55 0.12 0.22 0.00 0.00 0.00 179.25 179.82 3i53 h ASP 53 N -0.11 0.17 -0.55 0.00 3.58 -1.94 -0.77 116.42 116.81 3i53 h ASP 53 Ca 0.20 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 3i53 h ASP 53 Cb 0.42 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3i53 h ASP 53 CO -0.49 0.14 0.06 0.28 -2.88 0.00 0.00 179.24 176.35 3i53 h SER 54 N 0.26 0.93 -0.45 2.28 0.02 -1.86 -2.61 113.55 112.11 3i53 h SER 54 Ca 0.11 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 3i53 h SER 54 Cb 0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3i53 h SER 54 CO -0.08 0.95 0.08 0.25 -1.14 0.00 0.00 176.83 176.89 3i53 h LEU 55 N 0.91 0.76 -1.17 5.07 5.85 -0.11 -2.20 115.31 124.41 3i53 h LEU 55 Ca 0.18 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3i53 h LEU 55 Cb 0.44 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3i53 h LEU 55 CO 0.02 0.78 -0.06 -0.78 -0.34 0.00 0.00 178.44 178.05 3i53 h ASP 56 N 0.77 0.48 0.21 1.25 3.58 -0.86 -1.12 116.42 120.73 3i53 h ASP 56 Ca 0.16 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 3i53 h ASP 56 Cb 0.35 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3i53 h ASP 56 CO 0.01 0.59 -0.52 0.03 -2.88 0.00 0.00 179.24 176.47 3i53 h ARG 57 N 0.48 0.35 -0.22 0.28 3.08 -1.05 -1.52 114.38 115.77 3i53 h ARG 57 Ca 0.10 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3i53 h ARG 57 Cb 0.40 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i53 h ARG 57 CO 0.02 0.79 -0.20 1.25 -1.07 0.00 0.00 179.97 180.75 3i53 h LEU 58 N 0.27 0.56 -0.90 3.04 5.85 -0.90 -2.82 115.31 120.42 3i53 h LEU 58 Ca 0.01 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3i53 h LEU 58 Cb 1.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3i53 h LEU 58 CO 0.09 0.91 0.31 -0.07 -0.34 0.00 0.00 178.44 179.34 3i53 h LEU 59 N 0.22 1.02 -1.25 2.25 3.38 -1.12 -1.69 115.31 118.11 3i53 h LEU 59 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3i53 h LEU 59 Cb 0.75 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3i53 h LEU 59 CO 0.05 0.90 0.03 0.03 0.09 0.00 0.00 178.44 179.54 3i53 h ARG 60 N 1.09 0.54 -0.41 1.13 3.08 -1.26 0.16 114.38 118.71 3i53 h ARG 60 Ca 0.25 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 3i53 h ARG 60 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3i53 h ARG 60 CO -0.02 0.54 -0.32 1.25 -1.07 0.00 0.00 179.97 180.35 3i53 h HIS 61 N 0.52 1.09 0.00 3.04 2.76 -1.16 -2.75 115.15 118.65 3i53 h HIS 61 Ca 0.12 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3i53 h HIS 61 Cb 0.29 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.01 3i53 h HIS 61 CO 0.01 1.11 0.00 -0.07 -1.30 0.00 0.00 177.93 177.68 3i53 h LEU 62 N 0.77 0.00 -0.07 0.26 3.38 -0.41 -2.42 115.31 116.82 3i53 h LEU 62 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3i53 h LEU 62 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3i53 h LEU 62 CO 0.08 0.00 -0.03 0.58 0.09 0.00 0.00 178.44 179.16 3i53 h VAL 63 N 0.00 1.32 0.00 1.22 2.07 -0.52 -1.36 116.25 118.97 3i53 h VAL 63 Ca 0.00 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3i53 h VAL 63 Cb 0.71 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3i53 h VAL 63 CO 0.00 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 3i53 h ALA 64 N 0.63 1.14 0.00 1.67 0.00 -1.22 -1.00 119.26 120.48 3i53 h ALA 64 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3i53 h ALA 64 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i53 h ALA 64 CO 0.01 0.04 -0.94 0.28 0.00 0.00 0.00 179.25 178.64 3i53 h VAL 65 N 0.00 0.74 0.00 0.00 2.07 -1.18 -3.48 116.25 114.39 3i53 h VAL 65 Ca -0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3i53 h VAL 65 Cb 0.18 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3i53 h VAL 65 CO 0.00 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.62 3i53 n GLY 66 N 1.31 1.78 0.07 2.17 0.00 -0.38 -5.01 105.19 105.12 3i53 n GLY 66 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3i53 n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i53 n LEU 67 N 0.00 0.16 -4.30 0.99 4.77 -0.59 -4.43 117.00 113.60 3i53 n LEU 67 Ca 0.00 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3i53 n LEU 67 Cb 0.00 0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3i53 n LEU 67 CO 0.00 0.36 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.60 3i53 s PHE 68 N -2.33 1.65 0.07 -1.77 0.08 -1.20 -2.40 117.98 112.08 3i53 s PHE 68 Ca -0.08 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.52 3i53 s PHE 68 Cb 0.04 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3i53 s PHE 68 CO 0.56 0.27 -0.13 0.99 -0.10 0.00 0.00 175.22 176.80 3i53 s THR 69 N -2.22 3.15 -0.07 0.64 2.01 0.12 -4.29 115.64 114.98 3i53 s THR 69 Ca 0.14 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 3i53 s THR 69 Cb -0.05 -2.41 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3i53 s THR 69 CO 0.05 0.22 0.14 -0.60 -0.69 0.00 0.00 174.62 173.75 3i53 s ARG 70 N -1.83 0.06 0.28 4.92 3.52 -1.26 0.24 118.95 124.88 3i53 s ARG 70 Ca 0.18 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 56.23 3i53 s ARG 70 Cb -0.11 -0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 3i53 s ARG 70 CO 0.09 -0.21 0.42 0.16 -0.81 0.00 0.00 175.30 174.96 3i53 s ASP 71 N 1.49 6.29 0.00 -2.12 1.47 -0.47 -4.96 116.67 118.38 3i53 s ASP 71 Ca -0.06 0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.84 3i53 s ASP 71 Cb -0.12 -1.88 0.00 0.00 -0.34 0.00 0.00 42.92 40.59 3i53 s ASP 71 CO -0.06 -0.16 0.53 0.61 0.68 0.00 0.00 175.17 176.78 3i53 n GLY 72 N -1.53 -0.08 0.08 2.12 0.00 -1.26 0.30 105.19 104.82 3i53 n GLY 72 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3i53 n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i53 n GLN 73 N -1.03 0.63 0.00 1.61 7.27 -1.26 -4.96 117.38 119.65 3i53 n GLN 73 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3i53 n GLN 73 Cb 0.01 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 30.95 3i53 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i53 n GLY 74 N 1.31 0.79 3.72 1.69 0.00 0.15 -5.08 105.19 107.76 3i53 n GLY 74 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3i53 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i53 s VAL 75 N -2.00 4.76 0.08 1.61 1.01 -1.25 -4.46 120.40 120.16 3i53 s VAL 75 Ca 0.00 1.95 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3i53 s VAL 75 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3i53 s VAL 75 CO 0.00 0.24 0.19 -0.31 0.00 0.00 0.00 175.10 175.22 3i53 s TYR 76 N 0.57 3.43 0.23 5.22 1.51 0.23 -1.36 117.35 127.19 3i53 s TYR 76 Ca 0.48 0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.69 3i53 s TYR 76 Cb -0.21 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 3i53 s TYR 76 CO 0.27 0.56 0.24 0.20 -1.11 0.00 0.00 175.55 175.71 3i53 s GLY 77 N -2.65 1.32 -0.10 0.71 0.00 0.14 -4.72 107.32 102.03 3i53 s GLY 77 Ca 0.34 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 3i53 s GLY 77 CO 0.27 -1.22 0.07 1.08 0.00 0.00 0.00 173.10 173.30 3i53 s LEU 78 N -3.15 3.99 0.74 0.66 1.02 -1.26 0.16 118.68 120.84 3i53 s LEU 78 Ca 0.35 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.80 3i53 s LEU 78 Cb 0.05 -1.97 0.14 0.00 0.02 0.00 0.00 46.19 44.42 3i53 s LEU 78 CO 0.13 0.39 1.01 0.42 0.02 0.00 0.00 176.35 178.32 3i53 s THR 79 N -0.98 2.08 0.15 5.49 -4.23 -1.01 -4.80 115.64 112.34 3i53 s THR 79 Ca 0.15 -0.60 -0.23 0.00 -1.18 0.00 0.00 61.69 59.84 3i53 s THR 79 Cb -0.12 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3i53 s THR 79 CO 0.04 0.00 1.63 -0.33 -0.54 0.00 0.00 174.62 175.42 3i53 h GLU 80 N -0.58 -0.24 -0.55 3.99 5.08 -1.89 -1.82 114.58 118.56 3i53 h GLU 80 Ca -0.36 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3i53 h GLU 80 Cb 1.26 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3i53 h GLU 80 CO 0.39 -0.16 0.21 0.74 -1.00 0.00 0.00 179.01 179.19 3i53 h PHE 81 N -0.25 0.85 -0.28 4.33 -1.00 -1.88 -2.52 116.94 116.19 3i53 h PHE 81 Ca 0.14 -0.07 0.08 0.00 2.81 0.00 0.00 57.97 60.93 3i53 h PHE 81 Cb 0.47 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 3i53 h PHE 81 CO -0.41 0.69 0.25 0.78 -1.61 0.00 0.00 178.31 178.01 3i53 h GLY 82 N 0.76 0.00 1.78 -1.45 0.00 -1.30 0.07 103.07 102.92 3i53 h GLY 82 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3i53 h GLY 82 CO -0.01 0.00 0.08 0.83 0.00 0.00 0.00 176.54 177.44 3i53 h GLU 83 N 0.00 0.00 0.00 4.80 4.39 -0.89 -0.89 114.58 121.99 3i53 h GLU 83 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3i53 h GLU 83 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3i53 h GLU 83 CO -0.00 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.81 3i53 h GLN 84 N 0.00 0.00 0.00 2.33 4.20 -1.11 -1.04 115.11 119.49 3i53 h GLN 84 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3i53 h GLN 84 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3i53 h GLN 84 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3i53 n LEU 85 N -2.74 0.28 -4.74 1.46 4.77 -0.34 -4.07 117.00 111.61 3i53 n LEU 85 Ca -0.01 0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 3i53 n LEU 85 Cb 0.15 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 3i53 n LEU 85 CO 0.19 -0.15 1.25 -0.13 -1.33 0.00 0.00 177.39 177.22 3i53 s ARG 86 N -3.06 4.14 0.04 3.23 1.81 -0.39 -4.68 118.95 120.03 3i53 s ARG 86 Ca 0.11 2.55 0.19 0.00 -1.72 0.00 0.00 55.73 56.86 3i53 s ARG 86 Cb 0.14 -3.04 0.79 0.00 -0.45 0.00 0.00 34.95 32.39 3i53 s ARG 86 CO 0.48 -0.63 1.60 -3.47 -0.68 0.00 0.00 175.30 172.59 3i53 n ASP 87 N 2.50 0.10 -0.02 0.23 -0.08 -1.26 -2.31 116.55 115.72 3i53 n ASP 87 Ca 0.09 0.52 -0.07 0.00 -1.51 0.00 0.00 54.79 53.83 3i53 n ASP 87 Cb 0.37 -0.54 -0.13 0.00 2.34 0.00 0.00 41.12 43.16 3i53 n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3i53 n ASP 88 N -1.61 0.77 -4.42 1.67 4.64 -1.26 -4.97 116.55 111.37 3i53 n ASP 88 Ca 0.04 0.36 -0.44 0.00 -1.38 0.00 0.00 54.79 53.37 3i53 n ASP 88 Cb 0.22 0.11 -0.01 0.00 -1.04 0.00 0.00 41.12 40.41 3i53 n ASP 88 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 3i53 n HIS 89 N -2.97 -0.68 -0.18 -0.67 -0.00 -0.98 -4.91 115.22 104.84 3i53 n HIS 89 Ca -0.17 0.72 -0.07 0.00 0.46 0.00 0.00 57.72 58.66 3i53 n HIS 89 Cb 1.01 -1.96 0.02 0.00 -0.12 0.00 0.00 29.99 28.94 3i53 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i53 h ALA 90 N 0.88 0.66 0.00 1.57 0.00 -1.94 -2.48 119.26 117.96 3i53 h ALA 90 Ca -0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i53 h ALA 90 Cb 1.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i53 h ALA 90 CO 0.53 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3i53 h ALA 91 N 1.13 1.00 -5.85 0.00 0.00 -1.94 -3.46 119.26 110.14 3i53 h ALA 91 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.65 3i53 h ALA 91 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3i53 h ALA 91 CO -0.03 0.00 -0.69 0.41 0.00 0.00 0.00 179.25 178.94 3i53 n GLY 92 N -1.10 -0.50 0.24 0.00 0.00 -0.93 -4.89 105.19 98.00 3i53 n GLY 92 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3i53 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i53 h LYS 93 N -1.71 0.79 -0.80 1.61 1.79 -1.85 -3.22 116.57 113.18 3i53 h LYS 93 Ca -0.54 -0.30 0.32 0.00 -2.18 0.00 0.00 60.65 57.95 3i53 h LYS 93 Cb 1.35 -0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.81 3i53 h LYS 93 CO 0.63 0.92 0.37 -2.13 -1.08 0.00 0.00 179.45 178.16 3i53 n ARG 94 N -4.32 -0.05 0.04 3.15 0.00 -1.26 0.14 116.66 114.36 3i53 n ARG 94 Ca -0.01 1.11 0.03 0.00 -0.00 0.00 0.00 57.85 58.98 3i53 n ARG 94 Cb 0.37 -1.96 0.41 0.00 0.00 0.00 0.00 32.46 31.27 3i53 n ARG 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3i53 h LYS 95 N 0.00 0.43 0.00 -0.14 1.57 -1.93 0.14 116.57 116.64 3i53 h LYS 95 Ca 0.65 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.33 3i53 h LYS 95 Cb 1.68 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 3i53 h LYS 95 CO -0.63 0.37 -0.23 -1.49 -0.57 0.00 0.00 179.45 176.90 3i53 h TRP 96 N 0.44 0.00 0.00 -1.35 4.06 0.96 -3.35 115.95 116.71 3i53 h TRP 96 Ca 0.11 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.79 3i53 h TRP 96 Cb 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 3i53 h TRP 96 CO 0.00 0.23 -2.02 1.28 -3.56 0.00 0.00 178.44 174.37 3i53 n LEU 97 N -3.27 0.56 -4.60 -4.49 4.77 -0.85 -3.21 117.00 105.92 3i53 n LEU 97 Ca 0.01 -0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.52 3i53 n LEU 97 Cb 0.50 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3i53 n LEU 97 CO 0.34 0.45 1.74 -0.67 -1.33 0.00 0.00 177.39 177.93 3i53 n ASP 98 N -2.64 3.25 0.10 -1.43 2.03 0.44 -4.66 116.55 113.64 3i53 n ASP 98 Ca -0.26 0.49 0.05 0.00 0.52 0.00 0.00 54.79 55.59 3i53 n ASP 98 Cb 0.96 -1.47 0.27 0.00 -0.72 0.00 0.00 41.12 40.16 3i53 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3i53 n MET 99 N 8.10 0.07 0.08 -0.67 2.81 -1.26 0.19 117.12 126.44 3i53 n MET 99 Ca 0.29 0.51 0.05 0.00 -1.81 0.00 0.00 57.70 56.74 3i53 n MET 99 Cb 0.38 -1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 3i53 n MET 99 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3i53 h ASN 100 N 0.00 0.00 -4.15 7.83 2.35 -1.87 -3.33 115.58 116.41 3i53 h ASN 100 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 3i53 h ASN 100 Cb 0.31 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.71 3i53 h ASN 100 CO 0.00 0.33 0.37 -0.44 -1.65 0.00 0.00 177.43 176.04 3i53 s SER 101 N -5.76 6.41 0.11 5.81 0.01 0.50 -4.86 113.70 115.92 3i53 s SER 101 Ca -0.00 1.71 -0.25 0.00 1.31 0.00 0.00 55.95 58.72 3i53 s SER 101 Cb 0.09 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3i53 s SER 101 CO 0.79 -0.74 1.42 0.00 0.41 0.00 0.00 173.24 175.12 3i53 h ALA 102 N 1.05 -0.54 0.00 1.44 0.00 -1.80 0.28 119.26 119.69 3i53 h ALA 102 Ca -0.48 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3i53 h ALA 102 Cb 1.20 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 3i53 h ALA 102 CO 0.60 -0.81 -0.46 -0.39 0.00 0.00 0.00 179.25 178.19 3i53 h VAL 103 N -0.14 0.84 0.00 0.00 -1.51 -1.87 -2.05 116.25 111.52 3i53 h VAL 103 Ca 0.09 -2.03 -0.10 0.00 -1.23 0.00 0.00 66.70 63.44 3i53 h VAL 103 Cb 0.38 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 3i53 h VAL 103 CO -0.61 0.45 -0.45 1.23 -1.23 0.00 0.00 177.57 176.96 3i53 h GLY 104 N 3.19 0.00 0.19 5.19 0.00 -1.35 -1.25 103.07 109.04 3i53 h GLY 104 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 3i53 h GLY 104 CO 0.06 0.00 -0.74 -0.09 0.00 0.00 0.00 176.54 175.77 3i53 h ARG 105 N 0.00 0.08 -0.07 4.80 2.43 -0.37 -3.37 114.38 117.89 3i53 h ARG 105 Ca -0.00 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 3i53 h ARG 105 Cb 0.92 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3i53 h ARG 105 CO 0.06 1.07 -0.27 0.78 -1.51 0.00 0.00 179.97 180.09 3i53 h GLY 106 N -0.72 0.13 1.95 2.80 0.00 -1.41 -2.86 103.07 102.96 3i53 h GLY 106 Ca -0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3i53 h GLY 106 CO -0.03 0.09 -0.00 -0.55 0.00 0.00 0.00 176.54 176.04 3i53 h ASP 107 N 0.11 0.06 0.50 0.19 5.19 -1.38 0.10 116.42 121.20 3i53 h ASP 107 Ca 0.02 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3i53 h ASP 107 Cb 0.55 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3i53 h ASP 107 CO 0.04 0.08 0.00 -0.07 -3.12 0.00 0.00 179.24 176.17 3i53 h LEU 108 N 0.07 0.00 -2.67 1.55 3.38 -1.66 0.04 115.31 116.02 3i53 h LEU 108 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i53 h LEU 108 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i53 h LEU 108 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.75 3i53 h GLY 109 N 1.17 0.00 1.67 0.83 0.00 -0.93 -0.98 103.07 104.83 3i53 h GLY 109 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3i53 h GLY 109 CO 0.00 0.00 0.15 0.74 0.00 0.00 0.00 176.54 177.43 3i53 h PHE 110 N 0.00 0.00 0.00 5.60 -1.00 -1.12 0.33 116.94 120.75 3i53 h PHE 110 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3i53 h PHE 110 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3i53 h PHE 110 CO 0.00 0.00 0.00 -0.24 -1.61 0.00 0.00 178.31 176.46 3i53 h VAL 111 N 0.00 0.00 -0.49 -0.55 3.04 -1.39 -1.31 116.25 115.55 3i53 h VAL 111 Ca 0.04 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3i53 h VAL 111 Cb 0.33 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 3i53 h VAL 111 CO -0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 3i53 n GLU 112 N -2.85 3.63 -0.32 4.17 -0.58 0.10 -4.71 120.64 120.09 3i53 n GLU 112 Ca -0.01 -2.82 0.30 0.00 -0.42 0.00 0.00 57.16 54.21 3i53 n GLU 112 Cb 0.15 -1.87 0.65 0.00 -0.57 0.00 0.00 31.44 29.81 3i53 n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i53 h LEU 113 N 3.18 0.18 -1.04 -4.62 5.85 -1.32 -0.34 115.31 117.19 3i53 h LEU 113 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3i53 h LEU 113 Cb 1.45 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.43 3i53 h LEU 113 CO 0.25 0.02 0.64 0.00 -0.34 0.00 0.00 178.44 179.01 3i53 h ALA 114 N 1.50 1.45 -0.64 1.25 0.00 -1.85 -1.44 119.26 119.53 3i53 h ALA 114 Ca 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.48 3i53 h ALA 114 Cb 1.97 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 3i53 h ALA 114 CO -0.14 0.39 0.43 1.25 0.00 0.00 0.00 179.25 181.18 3i53 h HIS 115 N 1.12 0.81 -0.58 0.00 -0.00 -1.43 -0.24 115.15 114.83 3i53 h HIS 115 Ca 0.44 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.73 3i53 h HIS 115 Cb 0.23 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 3i53 h HIS 115 CO -0.00 0.51 0.01 0.77 -0.00 0.00 0.00 177.93 179.21 3i53 h SER 116 N 0.87 1.00 -0.57 3.26 0.02 -1.45 -0.76 113.55 115.91 3i53 h SER 116 Ca 0.24 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3i53 h SER 116 Cb -0.09 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 3i53 h SER 116 CO -0.05 1.06 0.05 0.40 -1.14 0.00 0.00 176.83 177.14 3i53 h ILE 117 N 0.91 1.26 -0.00 3.27 1.08 -0.82 0.92 117.51 124.14 3i53 h ILE 117 Ca 0.17 -1.05 -0.16 0.00 -0.39 0.00 0.00 64.86 63.43 3i53 h ILE 117 Cb 0.54 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3i53 h ILE 117 CO 0.03 0.38 -0.75 0.03 -0.69 0.00 0.00 178.15 177.15 3i53 h ARG 118 N 0.86 0.00 0.00 2.37 3.08 -0.96 -3.39 114.38 116.34 3i53 h ARG 118 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i53 h ARG 118 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3i53 h ARG 118 CO 0.02 0.75 -0.93 0.25 -1.07 0.00 0.00 179.97 178.99 3i53 n THR 119 N -3.65 0.00 -0.74 2.04 -2.24 -0.30 -5.02 114.28 104.38 3i53 n THR 119 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3i53 n THR 119 Cb 0.73 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3i53 n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i53 n GLY 120 N 2.34 0.79 3.92 3.38 0.00 0.32 -5.03 105.19 110.91 3i53 n GLY 120 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3i53 n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i53 s GLN 121 N -0.26 3.54 0.42 1.61 -0.21 -1.26 -4.65 119.66 118.86 3i53 s GLN 121 Ca 0.00 -0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.05 3i53 s GLN 121 Cb 0.00 -2.56 -0.09 0.00 1.00 0.00 0.00 33.01 31.36 3i53 s GLN 121 CO 0.00 0.05 1.39 -2.14 -2.12 0.00 0.00 175.29 172.47 3i53 s PRO 122 N -4.27 3.84 0.03 2.91 0.02 -1.26 -3.70 135.00 132.57 3i53 s PRO 122 Ca 0.43 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.65 3i53 s PRO 122 Cb -0.10 -2.74 -0.35 0.00 0.02 0.00 0.00 34.50 31.33 3i53 s PRO 122 CO 0.37 -0.67 0.99 0.00 -0.33 0.00 0.00 177.00 177.37 3i53 h ALA 123 N 2.54 -0.15 -1.00 -1.55 0.00 -0.91 -3.38 119.26 114.83 3i53 h ALA 123 Ca -0.50 -0.87 0.29 0.00 0.00 0.00 0.00 54.91 53.82 3i53 h ALA 123 Cb 1.26 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 19.04 3i53 h ALA 123 CO 0.62 0.72 0.07 -0.92 0.00 0.00 0.00 179.25 179.74 3i53 h TYR 124 N 0.14 0.03 -0.12 0.00 5.03 -1.55 0.22 116.97 120.73 3i53 h TYR 124 Ca -0.26 0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.07 3i53 h TYR 124 Cb 2.17 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 40.59 3i53 h TYR 124 CO 0.13 -0.44 -0.16 -1.35 -1.32 0.00 0.00 178.16 175.01 3i53 h PRO 125 N 0.00 0.18 -0.10 1.82 0.11 -1.73 0.02 132.00 132.30 3i53 h PRO 125 Ca 0.63 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.65 3i53 h PRO 125 Cb 1.34 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3i53 h PRO 125 CO -0.92 0.35 -0.15 0.28 -0.21 0.00 0.00 178.00 177.35 3i53 h VAL 126 N 0.17 1.17 0.00 3.15 2.07 -0.77 0.43 116.25 122.47 3i53 h VAL 126 Ca 0.03 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3i53 h VAL 126 Cb 0.40 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3i53 h VAL 126 CO 0.03 0.23 -0.50 -0.09 0.02 0.00 0.00 177.57 177.26 3i53 h ARG 127 N 0.16 0.00 -0.00 1.57 2.43 -1.25 -3.41 114.38 113.87 3i53 h ARG 127 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i53 h ARG 127 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3i53 h ARG 127 CO 0.02 0.48 -0.44 0.66 -1.51 0.00 0.00 179.97 179.18 3i53 n TYR 128 N -4.60 0.00 0.00 2.20 4.02 -0.08 -4.96 117.16 113.73 3i53 n TYR 128 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3i53 n TYR 128 Cb 0.36 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3i53 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i53 n GLY 129 N 1.43 2.03 3.54 2.72 0.00 0.15 -4.94 105.19 110.13 3i53 n GLY 129 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3i53 n GLY 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i53 s THR 130 N -1.98 1.73 0.42 2.61 -4.23 -1.26 -5.01 115.64 107.92 3i53 s THR 130 Ca 0.00 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 3i53 s THR 130 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 3i53 s THR 130 CO 0.00 -0.04 0.71 -0.94 -0.54 0.00 0.00 174.62 173.80 3i53 s SER 131 N -3.61 6.32 0.09 3.99 1.04 -1.26 -3.97 113.70 116.30 3i53 s SER 131 Ca 0.35 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 3i53 s SER 131 Cb 0.08 -2.20 -0.15 0.00 0.10 0.00 0.00 66.02 63.86 3i53 s SER 131 CO 0.17 -0.45 1.64 0.15 0.98 0.00 0.00 173.24 175.72 3i53 h PHE 132 N 0.64 -0.76 0.00 5.02 3.57 -1.94 -2.63 116.94 120.84 3i53 h PHE 132 Ca -0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 3i53 h PHE 132 Cb 1.20 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.22 3i53 h PHE 132 CO 0.57 -0.43 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.69 3i53 h TRP 133 N -0.68 0.00 0.36 0.41 -0.00 -1.95 -2.44 115.95 111.65 3i53 h TRP 133 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 3i53 h TRP 133 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.74 3i53 h TRP 133 CO -0.13 0.04 -0.17 0.93 -0.00 0.00 0.00 178.44 179.11 3i53 h GLU 134 N 0.00 -0.46 0.09 0.49 4.39 -1.87 -1.09 114.58 116.13 3i53 h GLU 134 Ca -0.00 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i53 h GLU 134 Cb 0.13 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3i53 h GLU 134 CO 0.01 -0.21 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.16 3i53 h ASP 135 N -0.64 -0.10 -0.93 1.42 3.32 -1.25 -2.29 116.42 115.95 3i53 h ASP 135 Ca -0.05 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.06 3i53 h ASP 135 Cb 0.46 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 3i53 h ASP 135 CO 0.08 -0.06 0.58 -0.07 -1.72 0.00 0.00 179.24 178.06 3i53 h LEU 136 N -0.14 0.92 -0.80 1.55 -0.00 -1.50 0.61 115.31 115.95 3i53 h LEU 136 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3i53 h LEU 136 Cb 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 3i53 h LEU 136 CO 0.02 0.58 0.00 0.61 -0.00 0.00 0.00 178.44 179.65 3i53 n GLY 137 N -1.34 -1.17 0.26 0.83 0.00 -0.41 -2.27 105.19 101.09 3i53 n GLY 137 Ca 0.14 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3i53 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i53 n SER 138 N -2.19 1.54 -3.52 1.61 7.64 0.16 -0.19 113.62 118.66 3i53 n SER 138 Ca 0.01 -1.27 -0.29 0.00 1.01 0.00 0.00 58.87 58.34 3i53 n SER 138 Cb 0.18 0.73 -0.14 0.00 -1.01 0.00 0.00 64.21 63.96 3i53 n SER 138 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i53 s ASP 139 N -2.71 3.40 0.59 6.43 -1.08 -0.91 -4.92 116.67 117.46 3i53 s ASP 139 Ca 0.13 -1.40 0.29 0.00 -0.52 0.00 0.00 52.55 51.05 3i53 s ASP 139 Cb 0.17 -0.33 1.43 0.00 -1.46 0.00 0.00 42.92 42.73 3i53 s ASP 139 CO 0.71 -0.42 1.83 1.55 0.52 0.00 0.00 175.17 179.36 3i53 h PRO 140 N 8.20 0.00 0.13 4.34 0.13 -1.82 0.40 132.00 143.38 3i53 h PRO 140 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 3i53 h PRO 140 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i53 h PRO 140 CO 0.41 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 178.40 3i53 h VAL 141 N 0.00 0.00 -1.03 1.56 2.07 -1.93 -1.20 116.25 115.72 3i53 h VAL 141 Ca 0.27 -0.36 0.32 0.00 0.82 0.00 0.00 66.70 67.75 3i53 h VAL 141 Cb 1.44 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.06 3i53 h VAL 141 CO -0.00 0.00 0.60 0.25 0.02 0.00 0.00 177.57 178.44 3i53 h LEU 142 N -0.53 0.51 0.29 2.57 5.85 -1.57 0.15 115.31 122.57 3i53 h LEU 142 Ca -0.02 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3i53 h LEU 142 Cb 0.13 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3i53 h LEU 142 CO 0.03 -0.11 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.60 3i53 h SER 143 N 0.33 -0.33 -0.18 1.25 0.87 -0.30 -2.85 113.55 112.34 3i53 h SER 143 Ca 0.73 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.16 3i53 h SER 143 Cb 1.70 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 3i53 h SER 143 CO -0.56 -0.09 0.06 0.00 -0.53 0.00 0.00 176.83 175.71 3i53 h ALA 144 N 0.09 1.64 -0.59 6.23 0.00 0.49 -2.40 119.26 124.72 3i53 h ALA 144 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3i53 h ALA 144 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i53 h ALA 144 CO 0.07 0.28 0.08 0.66 0.00 0.00 0.00 179.25 180.33 3i53 h SER 145 N 0.36 0.92 0.20 0.00 4.64 -0.91 -1.98 113.55 116.77 3i53 h SER 145 Ca 0.09 -0.21 -0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3i53 h SER 145 Cb 0.14 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3i53 h SER 145 CO -0.00 0.93 -0.64 0.15 -0.87 0.00 0.00 176.83 176.39 3i53 h PHE 146 N 0.90 0.55 0.34 4.77 3.57 -1.22 -2.26 116.94 123.59 3i53 h PHE 146 Ca 0.18 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3i53 h PHE 146 Cb 0.42 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i53 h PHE 146 CO 0.03 0.95 -0.16 0.22 -2.23 0.00 0.00 178.31 177.11 3i53 h ASP 147 N 0.31 -0.38 -0.49 0.41 1.82 -1.30 -3.10 116.42 113.68 3i53 h ASP 147 Ca -0.01 -0.10 0.12 0.00 -0.39 0.00 0.00 57.03 56.64 3i53 h ASP 147 Cb 1.19 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 3i53 h ASP 147 CO 0.11 0.08 0.34 0.71 -1.61 0.00 0.00 179.24 178.87 3i53 h THR 148 N -1.04 0.82 -0.17 2.25 1.35 -1.48 0.59 112.91 115.23 3i53 h THR 148 Ca -0.05 -0.05 -0.08 0.00 -0.55 0.00 0.00 66.41 65.69 3i53 h THR 148 Cb 0.46 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 3i53 h THR 148 CO 0.08 0.03 0.10 -0.11 -0.25 0.00 0.00 175.52 175.36 3i53 n LEU 149 N -4.43 3.30 0.00 3.87 7.94 -0.85 -5.11 117.00 121.71 3i53 n LEU 149 Ca 0.08 -1.68 0.00 0.00 -1.11 0.00 0.00 56.01 53.30 3i53 n LEU 149 Cb 0.46 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.85 3i53 n LEU 149 CO 0.35 0.54 0.00 0.80 -1.11 0.00 0.00 177.39 177.97 3i53 n MET 150 N 0.17 0.00 0.00 1.96 1.56 0.21 -4.95 117.12 116.07 3i53 n MET 150 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 3i53 n MET 150 Cb 0.66 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.03 3i53 n MET 150 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 3i53 n THR 159 N 0.00 0.00 0.06 1.12 -1.04 -1.26 -5.08 114.28 108.08 3i53 n THR 159 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 3i53 n THR 159 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 3i53 n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i53 n GLY 160 N -1.47 -0.39 0.47 3.41 0.00 -1.26 -1.56 105.19 104.38 3i53 n GLY 160 Ca 0.00 0.04 0.29 0.00 0.00 0.00 0.00 46.02 46.35 3i53 n GLY 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i53 h ILE 161 N 0.00 0.54 0.00 -0.61 2.10 -1.99 0.32 117.51 117.87 3i53 h ILE 161 Ca 0.00 -0.01 -0.14 0.00 1.08 0.00 0.00 64.86 65.80 3i53 h ILE 161 Cb 0.51 0.52 0.01 0.00 -1.09 0.00 0.00 36.82 36.77 3i53 h ILE 161 CO 0.00 0.00 -0.54 0.00 -1.08 0.00 0.00 178.15 176.53 3i53 h ALA 162 N 1.54 0.06 0.00 0.18 0.00 -1.64 -3.07 119.26 116.33 3i53 h ALA 162 Ca 0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i53 h ALA 162 Cb 1.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3i53 h ALA 162 CO -0.01 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3i53 n ALA 163 N -2.58 1.85 0.00 0.00 0.00 0.11 -2.05 120.51 117.84 3i53 n ALA 163 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i53 n ALA 163 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3i53 n ALA 163 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i53 n LYS 164 N 0.18 2.91 -4.27 0.00 3.00 -0.90 -5.06 118.16 114.01 3i53 n LYS 164 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 3i53 n LYS 164 Cb 0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 35.03 34.35 3i53 n LYS 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3i53 s TYR 165 N -1.32 1.34 -1.17 5.64 6.14 -0.87 -5.08 117.35 122.04 3i53 s TYR 165 Ca 0.00 -0.77 -0.13 0.00 0.64 0.00 0.00 57.07 56.81 3i53 s TYR 165 Cb 0.00 -0.69 0.20 0.00 0.42 0.00 0.00 41.96 41.88 3i53 s TYR 165 CO 0.00 0.09 1.34 0.34 0.64 0.00 0.00 175.55 177.95 3i53 s ASP 166 N -3.20 7.11 0.10 4.32 -1.08 -1.26 -4.77 116.67 117.89 3i53 s ASP 166 Ca 0.19 -3.10 -0.13 0.00 -0.52 0.00 0.00 52.55 48.98 3i53 s ASP 166 Cb 0.03 -2.35 -0.14 0.00 -1.46 0.00 0.00 42.92 39.00 3i53 s ASP 166 CO 0.02 -0.64 1.33 -0.50 0.52 0.00 0.00 175.17 175.89 3i53 h TRP 167 N 7.10 1.05 -1.01 -5.34 4.06 -1.98 -3.26 115.95 116.57 3i53 h TRP 167 Ca 0.27 -0.43 0.29 0.00 2.06 0.00 0.00 58.89 61.08 3i53 h TRP 167 Cb 0.88 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 28.73 3i53 h TRP 167 CO 1.02 1.26 0.59 0.00 -3.56 0.00 0.00 178.44 177.75 3i53 h ALA 168 N 0.58 1.91 0.00 1.49 0.00 -1.95 0.31 119.26 121.60 3i53 h ALA 168 Ca -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i53 h ALA 168 Cb 1.30 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3i53 h ALA 168 CO 0.14 -0.45 -0.07 0.00 0.00 0.00 0.00 179.25 178.87 3i53 h ALA 169 N 1.79 1.48 -0.23 0.00 0.00 -1.97 -2.06 119.26 118.27 3i53 h ALA 169 Ca 0.69 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.46 3i53 h ALA 169 Cb 1.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3i53 h ALA 169 CO -0.53 0.09 -0.18 -0.07 0.00 0.00 0.00 179.25 178.56 3i53 h LEU 170 N 0.00 0.38 0.00 0.00 3.38 -0.56 -3.47 115.31 115.04 3i53 h LEU 170 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i53 h LEU 170 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i53 h LEU 170 CO 0.01 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.73 3i53 n GLY 171 N -0.61 2.17 3.19 0.83 0.00 -0.78 -3.50 105.19 106.49 3i53 n GLY 171 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 3i53 n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i53 s HIS 172 N 0.00 1.80 -0.04 1.61 5.65 -1.26 -2.15 115.29 120.90 3i53 s HIS 172 Ca 0.00 -0.40 0.02 0.00 0.25 0.00 0.00 55.06 54.93 3i53 s HIS 172 Cb 0.00 -1.17 0.01 0.00 -1.18 0.00 0.00 32.58 30.24 3i53 s HIS 172 CO 0.00 -0.07 -0.07 0.54 -0.65 0.00 0.00 174.74 174.49 3i53 s VAL 173 N -0.33 0.70 -0.38 0.89 0.11 -0.66 -0.66 120.40 120.08 3i53 s VAL 173 Ca 0.04 -0.25 -0.17 0.00 -2.93 0.00 0.00 61.98 58.67 3i53 s VAL 173 Cb -0.09 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3i53 s VAL 173 CO 0.00 0.25 0.43 -0.69 -3.33 0.00 0.00 175.10 171.76 3i53 s VAL 174 N 0.64 5.09 -0.86 2.04 1.01 -0.37 -2.07 120.40 125.89 3i53 s VAL 174 Ca -0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 3i53 s VAL 174 Cb -0.13 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.36 3i53 s VAL 174 CO 0.01 -0.28 1.26 -0.62 0.00 0.00 0.00 175.10 175.47 3i53 s ASP 175 N 1.78 6.36 0.09 3.32 -1.08 -0.13 -0.98 116.67 126.03 3i53 s ASP 175 Ca 0.13 -1.17 -0.31 0.00 -0.52 0.00 0.00 52.55 50.68 3i53 s ASP 175 Cb -0.16 -2.51 -0.08 0.00 -1.46 0.00 0.00 42.92 38.70 3i53 s ASP 175 CO 0.13 -1.52 1.56 -0.69 0.52 0.00 0.00 175.17 175.17 3i53 s VAL 176 N 4.65 3.09 -1.42 1.11 1.01 0.27 -1.30 120.40 127.81 3i53 s VAL 176 Ca 0.36 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.94 3i53 s VAL 176 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3i53 s VAL 176 CO 0.01 0.02 0.55 0.61 0.00 0.00 0.00 175.10 176.29 3i53 n GLY 177 N 3.81 -0.41 0.00 4.51 0.00 0.61 -4.40 105.19 109.32 3i53 n GLY 177 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3i53 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 178 N -1.46 -0.21 7.00 -0.02 0.00 -0.42 -4.86 105.19 105.22 3i53 n GLY 178 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i53 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 179 N -0.42 2.43 0.00 -0.02 0.00 -1.26 -4.58 105.19 101.33 3i53 n GLY 179 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i53 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i53 n SER 180 N 0.56 0.00 -0.13 1.61 3.41 -1.26 -4.32 113.62 113.48 3i53 n SER 180 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3i53 n SER 180 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3i53 n SER 180 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i53 h GLY 181 N 0.00 0.54 0.00 5.00 0.00 -1.81 -3.43 103.07 103.37 3i53 h GLY 181 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3i53 h GLY 181 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 3i53 n GLY 182 N -1.25 3.16 0.25 4.60 0.00 -1.26 -2.97 105.19 107.72 3i53 n GLY 182 Ca 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3i53 n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i53 h LEU 183 N 0.00 0.77 -0.81 0.99 5.85 -1.86 -3.17 115.31 117.08 3i53 h LEU 183 Ca 0.00 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.60 3i53 h LEU 183 Cb 0.00 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 3i53 h LEU 183 CO 0.00 0.80 0.43 0.25 -0.34 0.00 0.00 178.44 179.58 3i53 h LEU 184 N 0.71 0.58 -1.15 2.25 5.85 -1.87 0.64 115.31 122.30 3i53 h LEU 184 Ca 0.16 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3i53 h LEU 184 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3i53 h LEU 184 CO 0.00 0.30 0.42 -1.28 -0.34 0.00 0.00 178.44 177.54 3i53 h SER 185 N 0.69 0.89 0.52 1.25 0.87 -1.52 0.30 113.55 116.56 3i53 h SER 185 Ca 0.41 -0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.68 3i53 h SER 185 Cb 0.46 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3i53 h SER 185 CO -0.29 0.70 -0.99 0.00 -0.53 0.00 0.00 176.83 175.72 3i53 h ALA 186 N 1.45 0.36 -0.10 6.23 0.00 -1.02 -1.87 119.26 124.31 3i53 h ALA 186 Ca 0.26 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3i53 h ALA 186 Cb -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i53 h ALA 186 CO -0.05 0.90 -0.04 -0.07 0.00 0.00 0.00 179.25 180.00 3i53 h LEU 187 N 0.14 0.20 -1.49 0.00 4.07 0.78 -1.51 115.31 117.51 3i53 h LEU 187 Ca -0.08 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.43 3i53 h LEU 187 Cb 1.65 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.32 3i53 h LEU 187 CO 0.16 0.55 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.74 3i53 h LEU 188 N -0.15 0.00 -0.41 1.67 3.38 -0.47 -0.53 115.31 118.79 3i53 h LEU 188 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3i53 h LEU 188 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i53 h LEU 188 CO 0.01 0.26 -0.79 0.71 0.09 0.00 0.00 178.44 178.73 3i53 h THR 189 N 0.00 1.47 0.00 0.22 1.35 -1.20 -3.16 112.91 111.59 3i53 h THR 189 Ca -0.00 -2.45 -0.11 0.00 -0.55 0.00 0.00 66.41 63.30 3i53 h THR 189 Cb 0.52 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3i53 h THR 189 CO 0.03 0.71 -0.59 0.00 -0.25 0.00 0.00 175.52 175.42 3i53 h ALA 190 N 1.08 0.68 -2.91 6.62 0.00 -0.68 -3.39 119.26 120.66 3i53 h ALA 190 Ca -0.03 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.80 3i53 h ALA 190 Cb 1.37 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.73 3i53 h ALA 190 CO 0.12 0.62 -0.75 -1.01 0.00 0.00 0.00 179.25 178.23 3i53 s HIS 191 N -2.97 2.09 -1.19 0.00 3.76 -0.26 -4.99 115.29 111.73 3i53 s HIS 191 Ca 0.03 -2.55 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 3i53 s HIS 191 Cb 0.08 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.90 3i53 s HIS 191 CO 0.75 -0.75 0.71 0.39 -0.85 0.00 0.00 174.74 174.99 3i53 n GLU 192 N 3.19 0.00 -0.00 1.40 1.02 -1.20 -1.40 120.64 123.65 3i53 n GLU 192 Ca 0.14 0.25 0.03 0.00 -0.02 0.00 0.00 57.16 57.55 3i53 n GLU 192 Cb 0.37 -1.55 0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3i53 n GLU 192 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i53 n ASP 193 N -1.21 1.50 -4.88 1.62 8.00 -1.26 -5.01 116.55 115.31 3i53 n ASP 193 Ca 0.00 -1.25 -0.30 0.00 0.71 0.00 0.00 54.79 53.95 3i53 n ASP 193 Cb 0.05 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 3i53 n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i53 s LEU 194 N -0.50 3.96 0.18 0.64 1.43 -0.49 -5.00 118.68 118.90 3i53 s LEU 194 Ca 0.07 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.29 3i53 s LEU 194 Cb 0.05 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3i53 s LEU 194 CO 0.07 -0.29 -0.18 -0.94 0.23 0.00 0.00 176.35 175.24 3i53 s SER 195 N -2.94 2.80 0.22 2.29 1.04 -0.91 -4.89 113.70 111.30 3i53 s SER 195 Ca 0.49 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 3i53 s SER 195 Cb -0.10 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 3i53 s SER 195 CO 0.28 -0.03 0.41 -0.83 0.98 0.00 0.00 173.24 174.05 3i53 s GLY 196 N -2.81 0.52 -0.04 7.32 0.00 0.11 -1.65 107.32 110.76 3i53 s GLY 196 Ca 0.18 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 3i53 s GLY 196 CO 0.08 -0.69 0.09 -0.51 0.00 0.00 0.00 173.10 172.07 3i53 s THR 197 N -4.00 -0.04 -0.22 0.90 -4.23 -0.88 -1.43 115.64 105.74 3i53 s THR 197 Ca 0.21 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.72 3i53 s THR 197 Cb 0.01 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 3i53 s THR 197 CO 0.06 0.07 0.39 -0.69 -0.54 0.00 0.00 174.62 173.90 3i53 s VAL 198 N 0.94 5.19 -0.21 2.29 1.01 0.16 -0.96 120.40 128.83 3i53 s VAL 198 Ca -0.07 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 3i53 s VAL 198 Cb -0.10 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3i53 s VAL 198 CO -0.04 0.23 -0.04 -0.22 0.00 0.00 0.00 175.10 175.03 3i53 s LEU 199 N 1.49 2.98 0.00 3.92 1.98 -1.00 -0.80 118.68 127.25 3i53 s LEU 199 Ca 0.18 -0.34 -0.09 0.00 -2.89 0.00 0.00 54.13 50.99 3i53 s LEU 199 Cb -0.15 -1.75 0.03 0.00 0.66 0.00 0.00 46.19 44.98 3i53 s LEU 199 CO 0.08 0.01 0.44 -0.67 -1.89 0.00 0.00 176.35 174.32 3i53 n ASP 200 N 4.58 -0.88 -4.86 3.68 -0.08 -1.07 -0.28 116.55 117.64 3i53 n ASP 200 Ca -0.18 -1.52 -0.30 0.00 -1.51 0.00 0.00 54.79 51.28 3i53 n ASP 200 Cb 0.51 1.45 0.05 0.00 2.34 0.00 0.00 41.12 45.47 3i53 n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i53 s LEU 201 N 0.00 2.91 0.18 -2.67 1.43 -1.26 -1.73 118.68 117.54 3i53 s LEU 201 Ca 0.09 1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 3i53 s LEU 201 Cb -0.02 -4.06 0.12 0.00 0.03 0.00 0.00 46.19 42.26 3i53 s LEU 201 CO 0.04 -1.41 1.59 -0.61 0.23 0.00 0.00 176.35 176.18 3i53 h GLN 202 N -0.70 -0.16 -0.06 1.70 5.75 -1.92 0.03 115.11 119.74 3i53 h GLN 202 Ca -0.45 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.07 3i53 h GLN 202 Cb 1.24 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 3i53 h GLN 202 CO 0.62 -0.11 -0.15 0.78 -2.65 0.00 0.00 178.83 177.32 3i53 h GLY 203 N -0.17 -1.51 0.96 2.39 0.00 -0.77 -1.05 103.07 102.92 3i53 h GLY 203 Ca 0.23 0.71 0.01 0.00 0.00 0.00 0.00 47.33 48.28 3i53 h GLY 203 CO -0.66 -0.51 0.44 -2.55 0.00 0.00 0.00 176.54 173.26 3i53 h PRO 204 N -0.15 0.86 -0.85 4.80 0.11 -1.77 -2.83 132.00 132.17 3i53 h PRO 204 Ca 0.01 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.17 3i53 h PRO 204 Cb 0.18 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.04 3i53 h PRO 204 CO -0.13 0.57 0.55 0.00 -0.21 0.00 0.00 178.00 178.77 3i53 h ALA 205 N 1.26 1.71 0.03 -0.75 0.00 -0.80 0.12 119.26 120.84 3i53 h ALA 205 Ca 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i53 h ALA 205 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i53 h ALA 205 CO -0.07 0.11 -0.02 0.77 0.00 0.00 0.00 179.25 180.05 3i53 h SER 206 N 0.80 -0.04 -0.91 0.00 0.02 -0.93 -0.16 113.55 112.32 3i53 h SER 206 Ca 0.39 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 3i53 h SER 206 Cb 0.45 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 3i53 h SER 206 CO -0.16 0.03 0.59 0.00 -1.14 0.00 0.00 176.83 176.14 3i53 h ALA 207 N 0.86 1.22 0.00 3.77 0.00 -1.36 0.13 119.26 123.89 3i53 h ALA 207 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i53 h ALA 207 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3i53 h ALA 207 CO 0.01 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.59 3i53 h ALA 208 N 1.39 1.22 0.02 0.00 0.00 -0.18 -1.06 119.26 120.66 3i53 h ALA 208 Ca 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i53 h ALA 208 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i53 h ALA 208 CO -0.14 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.45 3i53 h HIS 209 N 0.00 -0.03 -0.61 0.00 6.17 0.11 -2.91 115.15 117.87 3i53 h HIS 209 Ca -0.00 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 3i53 h HIS 209 Cb 0.29 0.01 -0.04 0.00 2.52 0.00 0.00 27.41 30.19 3i53 h HIS 209 CO 0.00 0.68 0.39 0.07 0.71 0.00 0.00 177.93 179.78 3i53 h ARG 210 N -0.82 0.75 0.00 5.26 0.11 -0.99 -2.08 114.38 116.61 3i53 h ARG 210 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3i53 h ARG 210 Cb 0.72 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3i53 h ARG 210 CO 0.01 0.50 0.00 -2.13 0.10 0.00 0.00 179.97 178.44 3i53 n ARG 211 N -4.70 0.00 -0.44 0.08 0.63 -0.43 -1.17 116.66 110.63 3i53 n ARG 211 Ca 0.05 0.47 0.41 0.00 -0.92 0.00 0.00 57.85 57.86 3i53 n ARG 211 Cb 0.06 -1.38 0.74 0.00 0.45 0.00 0.00 32.46 32.33 3i53 n ARG 211 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3i53 h PHE 212 N 0.00 0.00 -0.04 -0.14 0.04 -1.54 0.32 116.94 115.57 3i53 h PHE 212 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3i53 h PHE 212 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3i53 h PHE 212 CO 0.02 0.00 -0.09 1.25 -0.60 0.00 0.00 178.31 178.89 3i53 h LEU 213 N 0.00 0.15 -0.18 1.54 5.85 -0.82 0.74 115.31 122.59 3i53 h LEU 213 Ca 0.68 -0.57 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 3i53 h LEU 213 Cb 2.88 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.88 3i53 h LEU 213 CO -0.01 0.69 -0.55 0.44 -0.34 0.00 0.00 178.44 178.67 3i53 h ASP 214 N -0.38 0.80 0.00 1.25 3.45 0.99 -2.80 116.42 119.74 3i53 h ASP 214 Ca 0.00 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 56.87 3i53 h ASP 214 Cb 0.67 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 3i53 h ASP 214 CO 0.02 1.25 0.00 0.35 -1.57 0.00 0.00 179.24 179.29 3i53 n THR 215 N -4.11 0.00 -3.94 0.35 -2.24 0.50 -4.84 114.28 100.00 3i53 n THR 215 Ca -0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 3i53 n THR 215 Cb 0.62 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3i53 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i53 n GLY 216 N 0.13 -0.46 0.03 3.38 0.00 -1.06 -4.87 105.19 102.34 3i53 n GLY 216 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3i53 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i53 n LEU 217 N -4.44 2.15 -0.35 0.99 4.77 0.26 -4.75 117.00 115.63 3i53 n LEU 217 Ca -0.24 -2.45 0.13 0.00 -0.03 0.00 0.00 56.01 53.43 3i53 n LEU 217 Cb 0.65 -0.18 0.33 0.00 -2.33 0.00 0.00 43.42 41.89 3i53 n LEU 217 CO 0.74 0.59 1.19 0.28 -1.33 0.00 0.00 177.39 178.85 3i53 h SER 218 N 0.01 0.77 -0.18 -1.43 0.02 -1.75 0.77 113.55 111.75 3i53 h SER 218 Ca 0.00 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3i53 h SER 218 Cb 0.71 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3i53 h SER 218 CO 0.00 0.25 -0.20 1.23 -1.14 0.00 0.00 176.83 176.98 3i53 h GLY 219 N 0.74 0.67 -0.18 -3.77 0.00 -1.92 -3.32 103.07 95.29 3i53 h GLY 219 Ca 0.59 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i53 h GLY 219 CO -0.40 0.48 0.00 -0.96 0.00 0.00 0.00 176.54 175.67 3i53 n ARG 220 N -4.14 -0.17 -4.93 4.80 1.85 -0.89 -4.99 116.66 108.19 3i53 n ARG 220 Ca 0.00 -0.77 -0.30 0.00 -1.00 0.00 0.00 57.85 55.79 3i53 n ARG 220 Cb 0.39 -1.04 -0.17 0.00 -1.05 0.00 0.00 32.46 30.59 3i53 n ARG 220 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i53 s ALA 221 N -0.30 1.86 0.13 2.89 0.00 0.26 0.06 121.76 126.67 3i53 s ALA 221 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3i53 s ALA 221 Cb 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3i53 s ALA 221 CO 0.03 0.18 -0.04 -0.65 0.00 0.00 0.00 175.76 175.28 3i53 s GLN 222 N 0.53 0.94 -0.04 0.00 -0.21 -0.51 -4.45 119.66 115.91 3i53 s GLN 222 Ca -0.16 -1.41 0.03 0.00 0.02 0.00 0.00 55.36 53.84 3i53 s GLN 222 Cb -0.17 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.61 3i53 s GLN 222 CO 0.06 -0.06 -0.13 0.08 -2.12 0.00 0.00 175.29 173.12 3i53 s VAL 223 N -3.63 1.14 -0.08 1.09 1.01 -1.26 0.40 120.40 119.06 3i53 s VAL 223 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3i53 s VAL 223 Cb 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3i53 s VAL 223 CO -0.01 0.34 -0.15 0.68 0.00 0.00 0.00 175.10 175.96 3i53 s VAL 224 N 0.29 1.41 -0.26 2.92 -7.23 0.02 -4.93 120.40 112.62 3i53 s VAL 224 Ca -0.07 -0.63 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 3i53 s VAL 224 Cb -0.12 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 3i53 s VAL 224 CO 0.02 0.42 0.54 -0.69 -0.31 0.00 0.00 175.10 175.08 3i53 s VAL 225 N 0.67 5.05 -0.04 1.32 1.01 -1.26 -2.60 120.40 124.55 3i53 s VAL 225 Ca -0.14 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3i53 s VAL 225 Cb -0.16 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.48 3i53 s VAL 225 CO 0.04 0.07 1.32 -0.83 0.00 0.00 0.00 175.10 175.70 3i53 s GLY 226 N 1.52 -0.33 0.01 4.51 0.00 -0.70 -4.96 107.32 107.36 3i53 s GLY 226 Ca 0.22 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 3i53 s GLY 226 CO 0.09 2.24 0.38 -0.45 0.00 0.00 0.00 173.10 175.35 3i53 s SER 227 N -3.30 6.72 -0.04 1.64 0.15 -1.26 -4.09 113.70 113.53 3i53 s SER 227 Ca 0.20 0.87 0.04 0.00 0.70 0.00 0.00 55.95 57.76 3i53 s SER 227 Cb 0.03 -2.21 0.18 0.00 -1.71 0.00 0.00 66.02 62.32 3i53 s SER 227 CO -0.03 0.30 0.88 2.22 1.20 0.00 0.00 173.24 177.81 3i53 n PHE 228 N 1.62 0.42 0.53 3.44 -0.00 -1.26 -3.28 117.46 118.94 3i53 n PHE 228 Ca -0.13 -0.16 0.08 0.00 -0.00 0.00 0.00 57.45 57.24 3i53 n PHE 228 Cb 0.53 -0.15 -0.10 0.00 -0.00 0.00 0.00 39.48 39.76 3i53 n PHE 228 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i53 n PHE 229 N 0.11 0.00 -4.23 2.97 3.72 -1.26 -4.67 117.46 114.11 3i53 n PHE 229 Ca 0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.20 3i53 n PHE 229 Cb 0.39 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 3i53 n PHE 229 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3i53 n ASP 230 N -1.57 2.91 -4.63 4.37 5.68 -1.20 -4.98 116.55 117.12 3i53 n ASP 230 Ca 0.01 -2.88 -0.58 0.00 -0.50 0.00 0.00 54.79 50.85 3i53 n ASP 230 Cb 0.30 0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 3i53 n ASP 230 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3i53 n PRO 231 N -1.46 0.73 -3.36 0.11 -0.02 -1.26 -4.95 135.00 124.79 3i53 n PRO 231 Ca -0.10 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.42 3i53 n PRO 231 Cb 0.58 -1.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3i53 n PRO 231 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i53 s LEU 232 N 1.72 3.97 -0.47 2.45 2.96 -1.26 -4.99 118.68 123.05 3i53 s LEU 232 Ca 0.93 0.34 -0.27 0.00 -0.22 0.00 0.00 54.13 54.91 3i53 s LEU 232 Cb -1.14 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 42.33 3i53 s LEU 232 CO 0.60 -0.37 1.86 -2.84 -1.32 0.00 0.00 176.35 174.29 3i53 s PRO 233 N -4.32 2.94 0.71 0.98 0.02 -1.26 -4.94 135.00 129.12 3i53 s PRO 233 Ca 0.41 1.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 3i53 s PRO 233 Cb -0.10 -4.31 0.17 0.00 0.02 0.00 0.00 34.50 30.29 3i53 s PRO 233 CO 0.35 -2.34 0.75 0.00 -0.33 0.00 0.00 177.00 175.44 3i53 n ALA 234 N 11.75 -1.67 0.00 -1.55 0.00 -1.26 -4.54 120.51 123.24 3i53 n ALA 234 Ca 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3i53 n ALA 234 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3i53 n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 235 N -1.42 2.70 3.01 0.00 0.00 -1.26 -5.04 105.19 103.19 3i53 n GLY 235 Ca 0.10 -0.64 -0.50 0.00 0.00 0.00 0.00 46.02 44.98 3i53 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 n ALA 236 N 0.00 -3.18 0.04 4.61 0.00 -1.26 -4.82 120.51 115.90 3i53 n ALA 236 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 53.44 53.97 3i53 n ALA 236 Cb 0.00 -1.51 0.14 0.00 0.00 0.00 0.00 19.45 18.08 3i53 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 237 N 1.33 -0.58 3.63 0.00 0.00 0.17 -4.68 105.19 105.06 3i53 n GLY 237 Ca 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 3i53 n GLY 237 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i53 s GLY 238 N -3.11 -0.05 -0.25 -0.02 0.00 -1.17 -2.57 107.32 100.15 3i53 s GLY 238 Ca -0.01 2.75 -0.01 0.00 0.00 0.00 0.00 44.72 47.45 3i53 s GLY 238 CO 0.05 1.65 -0.06 -0.19 0.00 0.00 0.00 173.10 174.55 3i53 s TYR 239 N -0.16 3.10 -0.11 1.90 1.51 -1.09 -1.24 117.35 121.26 3i53 s TYR 239 Ca 0.03 -1.66 -0.05 0.00 -1.01 0.00 0.00 57.07 54.38 3i53 s TYR 239 Cb -0.04 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3i53 s TYR 239 CO -0.07 -0.75 0.09 0.08 -1.11 0.00 0.00 175.55 173.79 3i53 s VAL 240 N 1.30 5.11 -0.18 0.71 1.01 -0.15 -0.36 120.40 127.83 3i53 s VAL 240 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3i53 s VAL 240 Cb -0.17 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.09 3i53 s VAL 240 CO -0.04 0.61 0.23 -1.48 0.00 0.00 0.00 175.10 174.42 3i53 s LEU 241 N -0.94 -0.17 0.11 3.92 0.05 -1.12 0.98 118.68 121.49 3i53 s LEU 241 Ca 0.14 0.00 0.10 0.00 0.05 0.00 0.00 54.13 54.42 3i53 s LEU 241 Cb -0.12 0.48 -0.04 0.00 -2.05 0.00 0.00 46.19 44.46 3i53 s LEU 241 CO 0.03 -0.30 -0.22 -0.94 -0.55 0.00 0.00 176.35 174.37 3i53 s SER 242 N 2.35 3.61 -1.54 1.48 1.04 -1.26 -1.99 113.70 117.39 3i53 s SER 242 Ca 0.06 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3i53 s SER 242 Cb -0.15 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.57 3i53 s SER 242 CO -0.11 0.19 0.00 0.00 0.98 0.00 0.00 173.24 174.30 3i53 n ALA 243 N 0.98 -0.28 0.06 5.32 0.00 -1.24 -4.69 120.51 120.66 3i53 n ALA 243 Ca -0.17 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3i53 n ALA 243 Cb 0.53 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 3i53 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i53 n VAL 244 N -2.15 0.00 0.23 0.00 0.31 -1.26 -4.56 118.33 110.90 3i53 n VAL 244 Ca -0.15 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 3i53 n VAL 244 Cb 0.50 0.45 -0.05 0.00 -0.91 0.00 0.00 33.84 33.84 3i53 n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i53 h LEU 245 N 0.00 -0.54 -1.13 7.52 -0.00 -1.85 -3.34 115.31 115.97 3i53 h LEU 245 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 3i53 h LEU 245 Cb 0.31 0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 3i53 h LEU 245 CO 0.00 -0.15 0.56 1.12 -0.00 0.00 0.00 178.44 179.97 3i53 h HIS 246 N -1.11 1.10 0.00 1.13 2.07 -1.86 -2.60 115.15 113.87 3i53 h HIS 246 Ca -0.07 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 3i53 h HIS 246 Cb 0.49 -0.37 0.00 0.00 2.57 0.00 0.00 27.41 30.10 3i53 h HIS 246 CO 0.01 0.70 0.23 -0.25 -3.07 0.00 0.00 177.93 175.55 3i53 n ASP 247 N -4.39 0.12 -4.47 3.10 8.00 -1.25 -1.48 116.55 116.17 3i53 n ASP 247 Ca 0.10 0.39 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 3i53 n ASP 247 Cb 0.03 -0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 3i53 n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i53 s TRP 248 N -2.85 2.02 0.62 1.24 0.52 -0.98 -4.45 118.94 115.06 3i53 s TRP 248 Ca -0.01 -0.91 -0.07 0.00 0.02 0.00 0.00 56.10 55.14 3i53 s TRP 248 Cb 0.01 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 31.02 3i53 s TRP 248 CO 0.04 0.08 0.95 0.16 0.02 0.00 0.00 176.95 178.20 3i53 s ASP 249 N -3.51 5.58 0.05 2.95 -4.77 -1.26 -4.54 116.67 111.17 3i53 s ASP 249 Ca 0.36 0.84 -0.12 0.00 -3.30 0.00 0.00 52.55 50.33 3i53 s ASP 249 Cb 0.09 -1.79 -0.03 0.00 -1.09 0.00 0.00 42.92 40.10 3i53 s ASP 249 CO 0.15 -1.12 1.20 0.44 0.70 0.00 0.00 175.17 176.55 3i53 h ASP 250 N -0.29 -0.75 -0.43 2.11 3.32 -1.96 -1.26 116.42 117.17 3i53 h ASP 250 Ca -0.45 0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.74 3i53 h ASP 250 Cb 1.25 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 41.07 3i53 h ASP 250 CO 0.61 -0.11 -0.27 0.25 -1.72 0.00 0.00 179.24 178.00 3i53 h LEU 251 N -0.06 -0.99 -0.87 1.55 6.46 -1.98 0.21 115.31 119.63 3i53 h LEU 251 Ca 0.05 0.15 0.15 0.00 -0.12 0.00 0.00 57.88 58.11 3i53 h LEU 251 Cb 0.18 0.44 -0.15 0.00 -0.73 0.00 0.00 40.66 40.39 3i53 h LEU 251 CO -0.29 -0.12 -0.29 -1.20 -0.62 0.00 0.00 178.44 175.92 3i53 n SER 252 N -4.04 -0.45 0.38 1.25 7.64 -0.83 0.12 113.62 117.68 3i53 n SER 252 Ca 0.01 1.50 -0.18 0.00 1.01 0.00 0.00 58.87 61.21 3i53 n SER 252 Cb 0.13 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 3i53 n SER 252 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i53 h ALA 253 N 1.43 -1.23 -0.46 -0.43 0.00 0.49 0.19 119.26 119.25 3i53 h ALA 253 Ca 0.35 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3i53 h ALA 253 Cb 0.57 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3i53 h ALA 253 CO -0.87 -1.20 0.31 -0.39 0.00 0.00 0.00 179.25 177.10 3i53 h VAL 254 N -1.10 0.92 -0.71 0.00 -1.51 0.69 0.75 116.25 115.29 3i53 h VAL 254 Ca -0.09 -0.10 -0.05 0.00 -1.23 0.00 0.00 66.70 65.23 3i53 h VAL 254 Cb 0.90 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 3i53 h VAL 254 CO 0.06 0.05 0.25 0.00 -1.23 0.00 0.00 177.57 176.71 3i53 h ALA 255 N 1.76 0.92 -0.10 5.19 0.00 0.15 0.13 119.26 127.31 3i53 h ALA 255 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i53 h ALA 255 Cb 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i53 h ALA 255 CO -0.05 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.53 3i53 h ILE 256 N 1.03 1.34 -0.89 0.00 2.04 0.27 -3.13 117.51 118.17 3i53 h ILE 256 Ca 0.23 -1.15 0.12 0.00 1.00 0.00 0.00 64.86 65.06 3i53 h ILE 256 Cb 0.26 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.14 3i53 h ILE 256 CO -0.01 0.33 0.52 -0.07 0.00 0.00 0.00 178.15 178.92 3i53 h LEU 257 N -0.15 0.73 -0.96 1.44 3.38 0.64 0.15 115.31 120.53 3i53 h LEU 257 Ca 0.02 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.20 3i53 h LEU 257 Cb 0.55 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 3i53 h LEU 257 CO 0.02 0.38 0.58 -0.09 0.09 0.00 0.00 178.44 179.42 3i53 h ARG 258 N 0.82 0.80 -0.41 1.13 2.43 -0.69 0.92 114.38 119.38 3i53 h ARG 258 Ca 0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 3i53 h ARG 258 Cb 0.48 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3i53 h ARG 258 CO -0.28 0.53 0.19 0.00 -1.51 0.00 0.00 179.97 178.90 3i53 h ARG 259 N 0.82 0.59 -0.40 0.20 -0.00 -0.97 -0.75 114.38 113.87 3i53 h ARG 259 Ca 0.52 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.90 3i53 h ARG 259 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.51 3i53 h ARG 259 CO -0.33 0.52 0.22 0.00 0.00 0.00 0.00 179.97 180.39 3i53 h ALA 261 N 1.08 -0.92 0.00 0.00 0.00 -0.64 1.49 119.26 120.27 3i53 h ALA 261 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i53 h ALA 261 Cb 0.05 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i53 h ALA 261 CO -0.02 -1.06 0.30 0.93 0.00 0.00 0.00 179.25 179.41 3i53 h GLU 262 N -0.85 0.00 0.00 0.00 5.08 -1.05 0.93 114.58 118.68 3i53 h GLU 262 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i53 h GLU 262 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i53 h GLU 262 CO -0.07 0.00 -1.71 0.00 -1.00 0.00 0.00 179.01 176.23 3i53 n ALA 263 N -1.88 2.81 -0.09 3.43 0.00 -0.21 -4.63 120.51 119.94 3i53 n ALA 263 Ca -0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 3i53 n ALA 263 Cb 0.35 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 3i53 n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i53 n ALA 264 N -2.05 0.69 -3.61 0.00 0.00 0.49 -4.01 120.51 112.03 3i53 n ALA 264 Ca -0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 3i53 n ALA 264 Cb 0.44 -0.13 0.07 0.00 0.00 0.00 0.00 19.45 19.84 3i53 n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 265 N 1.50 -0.51 1.69 0.00 0.00 0.28 -2.28 105.19 105.87 3i53 n GLY 265 Ca -0.21 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 3i53 n GLY 265 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i53 n SER 266 N -3.02 -1.92 -0.00 1.61 2.88 -1.26 -4.56 113.62 107.35 3i53 n SER 266 Ca -0.03 0.20 0.07 0.00 -1.33 0.00 0.00 58.87 57.77 3i53 n SER 266 Cb 0.57 -1.97 -0.10 0.00 -0.75 0.00 0.00 64.21 61.97 3i53 n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i53 n GLY 267 N -0.23 -0.53 3.09 0.46 0.00 -0.97 -4.98 105.19 102.04 3i53 n GLY 267 Ca -0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 3i53 n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i53 s GLY 268 N -3.14 0.52 -0.21 -0.02 0.00 -1.07 -4.96 107.32 98.43 3i53 s GLY 268 Ca -0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 3i53 s GLY 268 CO 0.59 -1.18 0.06 -1.34 0.00 0.00 0.00 173.10 171.23 3i53 s VAL 269 N -3.11 4.49 -0.42 1.40 -7.23 -1.06 -4.57 120.40 109.89 3i53 s VAL 269 Ca 0.02 -0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 3i53 s VAL 269 Cb 0.02 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 33.93 3i53 s VAL 269 CO -0.06 0.40 0.96 -0.69 -0.31 0.00 0.00 175.10 175.40 3i53 s VAL 270 N 1.00 4.48 0.09 1.32 1.01 -1.25 -2.69 120.40 124.35 3i53 s VAL 270 Ca 0.04 1.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 3i53 s VAL 270 Cb -0.14 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 3i53 s VAL 270 CO 0.03 -0.73 0.41 -0.76 0.00 0.00 0.00 175.10 174.05 3i53 s LEU 271 N 3.75 4.35 -0.31 3.92 2.01 0.51 -1.35 118.68 131.55 3i53 s LEU 271 Ca 0.39 0.82 -0.01 0.00 0.01 0.00 0.00 54.13 55.34 3i53 s LEU 271 Cb -0.10 -3.01 0.10 0.00 0.01 0.00 0.00 46.19 43.18 3i53 s LEU 271 CO 0.24 0.16 0.11 -0.69 1.01 0.00 0.00 176.35 177.18 3i53 s VAL 272 N -1.41 0.64 0.16 -1.59 1.01 -0.45 -2.81 120.40 115.96 3i53 s VAL 272 Ca 0.34 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3i53 s VAL 272 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3i53 s VAL 272 CO 0.18 -0.70 0.34 -0.63 0.00 0.00 0.00 175.10 174.29 3i53 s ILE 273 N 1.69 5.24 0.38 2.22 1.09 -0.84 -1.11 121.20 129.86 3i53 s ILE 273 Ca 0.10 -0.33 -0.11 0.00 -1.10 0.00 0.00 60.65 59.21 3i53 s ILE 273 Cb -0.17 -3.69 0.04 0.00 -1.06 0.00 0.00 42.46 37.57 3i53 s ILE 273 CO -0.27 -0.06 0.69 -0.70 -0.10 0.00 0.00 174.94 174.50 3i53 s GLU 274 N -3.03 2.16 0.00 2.79 2.56 -0.64 -3.65 118.70 118.90 3i53 s GLU 274 Ca 0.38 -1.56 0.00 0.00 0.00 0.00 0.00 54.97 53.78 3i53 s GLU 274 Cb -0.12 0.57 0.00 0.00 2.00 0.00 0.00 34.13 36.58 3i53 s GLU 274 CO 0.28 -0.98 0.00 0.00 -0.56 0.00 0.00 175.26 174.00 3i53 n ALA 282 N -0.55 0.00 0.00 6.30 0.00 -1.26 -0.47 120.51 124.53 3i53 n ALA 282 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i53 n ALA 282 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i53 n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 283 N 0.22 2.61 0.15 0.00 0.00 -1.26 -4.87 105.19 102.04 3i53 n GLY 283 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3i53 n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 h THR 284 N 0.00 1.29 -0.20 2.61 1.03 -2.05 0.27 112.91 115.86 3i53 h THR 284 Ca 0.00 -2.70 -0.11 0.00 -0.01 0.00 0.00 66.41 63.60 3i53 h THR 284 Cb 0.00 3.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.09 3i53 h THR 284 CO 0.00 0.81 -0.34 1.23 -0.01 0.00 0.00 175.52 177.21 3i53 h GLY 285 N 0.22 0.45 1.70 2.99 0.00 -1.99 -1.17 103.07 105.26 3i53 h GLY 285 Ca -0.25 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 3i53 h GLY 285 CO 0.27 0.37 -0.61 1.98 0.00 0.00 0.00 176.54 178.55 3i53 h MET 286 N 0.35 0.31 -0.44 4.80 1.85 -1.87 -1.82 114.93 118.11 3i53 h MET 286 Ca 0.04 -0.22 -0.04 0.00 -0.61 0.00 0.00 59.70 58.87 3i53 h MET 286 Cb 0.77 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.82 3i53 h MET 286 CO 0.06 0.83 0.11 0.22 -0.40 0.00 0.00 176.91 177.73 3i53 h ASP 287 N 0.23 0.66 0.48 1.39 3.58 0.20 -1.17 116.42 121.78 3i53 h ASP 287 Ca -0.01 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 3i53 h ASP 287 Cb 1.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 3i53 h ASP 287 CO 0.10 0.71 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.82 3i53 h LEU 288 N 0.57 0.00 -0.33 2.28 3.38 -1.06 -1.72 115.31 118.42 3i53 h LEU 288 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3i53 h LEU 288 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i53 h LEU 288 CO 0.00 0.28 -0.37 -0.09 0.09 0.00 0.00 178.44 178.35 3i53 h ARG 289 N 0.00 0.84 -0.75 1.13 2.43 -0.78 -0.61 114.38 116.63 3i53 h ARG 289 Ca -0.00 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 3i53 h ARG 289 Cb 0.59 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3i53 h ARG 289 CO 0.04 1.10 0.33 0.52 -1.51 0.00 0.00 179.97 180.44 3i53 h MET 290 N 0.62 1.10 -0.61 0.20 2.86 -0.74 0.16 114.93 118.52 3i53 h MET 290 Ca 0.05 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3i53 h MET 290 Cb 0.96 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3i53 h MET 290 CO 0.09 0.88 0.20 1.25 1.06 0.00 0.00 176.91 180.39 3i53 h LEU 291 N 1.07 0.88 -0.38 1.22 5.85 -1.14 0.36 115.31 123.18 3i53 h LEU 291 Ca 0.25 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3i53 h LEU 291 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3i53 h LEU 291 CO -0.03 0.85 0.04 0.74 -0.34 0.00 0.00 178.44 179.70 3i53 h THR 292 N 0.87 1.25 -0.03 1.05 2.02 -0.60 0.39 112.91 117.85 3i53 h THR 292 Ca 0.20 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3i53 h THR 292 Cb 0.27 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i53 h THR 292 CO -0.01 0.30 -0.07 1.88 0.37 0.00 0.00 175.52 178.00 3i53 h TYR 293 N 0.47 0.13 0.00 3.16 0.99 -0.57 0.15 116.97 121.31 3i53 h TYR 293 Ca 0.11 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3i53 h TYR 293 Cb 0.40 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.10 3i53 h TYR 293 CO 0.03 0.67 -1.04 1.19 -0.00 0.00 0.00 178.16 179.00 3i53 n PHE 294 N -4.71 0.00 -3.32 4.88 3.01 0.11 -4.57 117.46 112.86 3i53 n PHE 294 Ca -0.08 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.17 3i53 n PHE 294 Cb 0.34 -0.07 0.06 0.00 -0.01 0.00 0.00 39.48 39.79 3i53 n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i53 n GLY 295 N 2.15 -0.34 0.00 1.37 0.00 0.13 -4.37 105.19 104.13 3i53 n GLY 295 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i53 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 296 N -1.71 0.72 0.00 -0.02 0.00 -1.26 -4.52 105.19 98.40 3i53 n GLY 296 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i53 n GLY 296 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i53 n LYS 297 N 0.00 0.00 -0.02 1.61 2.85 -0.55 -4.93 118.16 117.12 3i53 n LYS 297 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 3i53 n LYS 297 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 3i53 n LYS 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i53 n ALA 302 N -3.00 1.50 0.17 0.58 0.00 -1.26 -4.59 120.51 113.91 3i53 n ALA 302 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 52.73 3i53 n ALA 302 Cb 0.00 -0.85 0.32 0.00 0.00 0.00 0.00 19.45 18.91 3i53 n ALA 302 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i53 n GLU 303 N -3.04 0.08 0.05 0.00 -0.00 -1.26 0.12 120.64 116.59 3i53 n GLU 303 Ca -0.17 0.56 -0.04 0.00 -0.00 0.00 0.00 57.16 57.52 3i53 n GLU 303 Cb 1.05 -2.13 -0.02 0.00 -0.00 0.00 0.00 31.44 30.35 3i53 n GLU 303 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3i53 h LEU 304 N 0.00 -0.20 -2.43 -1.84 4.07 -2.04 0.25 115.31 113.12 3i53 h LEU 304 Ca 0.00 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.99 3i53 h LEU 304 Cb 0.72 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 3i53 h LEU 304 CO 0.00 0.22 0.16 1.23 -1.08 0.00 0.00 178.44 178.97 3i53 h GLY 305 N -0.95 0.00 1.50 0.83 0.00 0.46 1.04 103.07 105.95 3i53 h GLY 305 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.07 3i53 h GLY 305 CO 0.04 0.00 -0.99 1.05 0.00 0.00 0.00 176.54 176.64 3i53 h GLU 306 N 0.00 0.45 0.00 4.80 4.11 0.43 0.24 114.58 124.61 3i53 h GLU 306 Ca 0.03 -0.50 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 3i53 h GLU 306 Cb 0.35 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3i53 h GLU 306 CO -0.00 1.15 -0.02 1.37 0.07 0.00 0.00 179.01 181.58 3i53 h LEU 307 N 0.24 0.00 0.16 3.06 -0.00 0.46 1.56 115.31 120.79 3i53 h LEU 307 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.48 3i53 h LEU 307 Cb 1.63 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.30 3i53 h LEU 307 CO 0.17 0.02 -1.49 0.00 -0.00 0.00 0.00 178.44 177.14 3i53 h ALA 308 N 1.98 0.14 -0.08 0.17 0.00 -0.25 -3.08 119.26 118.13 3i53 h ALA 308 Ca -0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 54.91 53.80 3i53 h ALA 308 Cb 0.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i53 h ALA 308 CO 0.00 1.00 -0.38 0.00 0.00 0.00 0.00 179.25 179.88 3i53 h ALA 309 N 0.40 1.21 0.21 0.00 0.00 0.34 0.23 119.26 121.65 3i53 h ALA 309 Ca -0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3i53 h ALA 309 Cb 2.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3i53 h ALA 309 CO 0.20 0.54 -0.10 1.96 0.00 0.00 0.00 179.25 181.85 3i53 h GLN 310 N 0.15 -0.27 -1.11 0.00 1.08 0.19 -3.19 115.11 111.96 3i53 h GLN 310 Ca 0.02 0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 56.88 3i53 h GLN 310 Cb 0.74 0.06 -0.19 0.00 -0.05 0.00 0.00 27.48 28.04 3i53 h GLN 310 CO 0.06 -0.18 0.46 0.00 -0.95 0.00 0.00 178.83 178.21 3i53 n ALA 311 N -2.15 4.77 -3.00 3.87 0.00 -1.17 -4.93 120.51 117.90 3i53 n ALA 311 Ca -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.47 3i53 n ALA 311 Cb 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3i53 n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 312 N -0.38 1.09 3.67 0.00 0.00 0.07 -4.77 105.19 104.85 3i53 n GLY 312 Ca 0.38 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 3i53 n GLY 312 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i53 n LEU 313 N 0.00 3.07 -4.74 0.99 -0.00 -1.21 -4.50 117.00 110.60 3i53 n LEU 313 Ca 0.00 1.09 -0.41 0.00 -0.00 0.00 0.00 56.01 56.69 3i53 n LEU 313 Cb 0.00 -1.42 -0.05 0.00 -0.00 0.00 0.00 43.42 41.95 3i53 n LEU 313 CO 0.00 -0.32 0.72 0.00 -0.00 0.00 0.00 177.39 177.79 3i53 s ALA 314 N 0.80 3.33 0.72 1.47 0.00 -1.01 -2.75 121.76 124.31 3i53 s ALA 314 Ca 0.78 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 3i53 s ALA 314 Cb -0.68 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.17 3i53 s ALA 314 CO 0.39 -0.06 1.20 0.08 0.00 0.00 0.00 175.76 177.37 3i53 s VAL 315 N -0.43 2.41 0.00 0.00 1.01 -1.26 -2.33 120.40 119.79 3i53 s VAL 315 Ca 0.46 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3i53 s VAL 315 Cb -0.27 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3i53 s VAL 315 CO 0.33 -0.11 0.00 0.54 0.00 0.00 0.00 175.10 175.86 3i53 n ARG 316 N -2.64 2.83 -1.42 2.72 5.12 -0.85 -4.87 116.66 117.55 3i53 n ARG 316 Ca 0.13 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3i53 n ARG 316 Cb 0.50 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 3i53 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i53 n ALA 317 N 0.00 -0.04 -3.62 7.54 0.00 -1.15 -5.03 120.51 118.22 3i53 n ALA 317 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3i53 n ALA 317 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3i53 n ALA 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i53 s ALA 318 N -1.02 -1.95 -0.12 0.00 0.00 -1.26 -3.93 121.76 113.49 3i53 s ALA 318 Ca 0.00 1.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.71 3i53 s ALA 318 Cb -0.00 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.99 3i53 s ALA 318 CO 0.00 -0.26 0.08 -1.01 0.00 0.00 0.00 175.76 174.56 3i53 s HIS 319 N -0.18 0.17 -0.26 0.00 3.76 -0.60 -4.95 115.29 113.22 3i53 s HIS 319 Ca 0.01 -0.12 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 3i53 s HIS 319 Cb -0.04 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.04 3i53 s HIS 319 CO -0.03 -0.40 0.99 -2.14 -0.85 0.00 0.00 174.74 172.31 3i53 s PRO 320 N 2.14 4.18 -0.24 8.40 0.02 -1.26 -1.08 135.00 147.17 3i53 s PRO 320 Ca 0.03 1.17 -0.02 0.00 0.02 0.00 0.00 61.00 62.21 3i53 s PRO 320 Cb -0.15 -3.67 0.02 0.00 0.02 0.00 0.00 34.50 30.73 3i53 s PRO 320 CO -0.07 -0.67 -0.07 0.96 -0.33 0.00 0.00 177.00 176.81 3i53 s ILE 321 N 3.22 2.84 0.00 2.83 -4.36 -0.71 -4.99 121.20 120.03 3i53 s ILE 321 Ca 0.42 -0.96 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 3i53 s ILE 321 Cb -0.14 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3i53 s ILE 321 CO 0.09 0.26 0.00 -0.24 0.24 0.00 0.00 174.94 175.29 3i53 n SER 322 N 4.68 0.00 -0.01 4.36 2.88 -1.26 -0.95 113.62 123.32 3i53 n SER 322 Ca -0.17 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 3i53 n SER 322 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 3i53 n SER 322 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 3i53 h TYR 323 N 0.00 0.98 -3.21 0.66 -0.00 -1.96 -3.46 116.97 109.98 3i53 h TYR 323 Ca 0.00 -0.44 -0.61 0.00 0.00 0.00 0.00 58.73 57.68 3i53 h TYR 323 Cb 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 36.73 36.46 3i53 h TYR 323 CO 0.00 1.26 -0.50 0.14 -0.00 0.00 0.00 178.16 179.06 3i53 s VAL 324 N -3.70 5.36 0.40 -0.90 -7.23 -0.12 -5.06 120.40 109.14 3i53 s VAL 324 Ca -0.09 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.32 3i53 s VAL 324 Cb 0.09 -3.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.59 3i53 s VAL 324 CO 0.89 0.46 0.49 -0.44 -0.31 0.00 0.00 175.10 176.20 3i53 s SER 325 N 0.22 5.54 -0.31 4.85 0.01 0.38 -1.73 113.70 122.65 3i53 s SER 325 Ca 0.08 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.88 3i53 s SER 325 Cb -0.11 -0.74 0.10 0.00 0.21 0.00 0.00 66.02 65.47 3i53 s SER 325 CO -0.01 -0.66 0.08 -0.63 0.41 0.00 0.00 173.24 172.42 3i53 s ILE 326 N -2.35 1.29 -0.68 1.44 1.01 -0.24 -1.61 121.20 120.05 3i53 s ILE 326 Ca 0.51 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.32 3i53 s ILE 326 Cb -0.08 -1.95 0.11 0.00 0.01 0.00 0.00 42.46 40.54 3i53 s ILE 326 CO 0.31 -0.63 0.85 -0.69 0.00 0.00 0.00 174.94 174.78 3i53 s VAL 327 N 1.41 4.72 0.24 2.92 1.01 -0.27 -1.56 120.40 128.86 3i53 s VAL 327 Ca 0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 3i53 s VAL 327 Cb -0.18 -4.59 -0.09 0.00 0.00 0.00 0.00 36.38 31.53 3i53 s VAL 327 CO -0.19 -1.27 0.79 -1.83 0.00 0.00 0.00 175.10 172.59 3i53 s GLU 328 N 2.91 4.39 0.00 2.72 -1.05 -1.25 -1.34 118.70 125.08 3i53 s GLU 328 Ca 0.18 1.04 0.00 0.00 -0.15 0.00 0.00 54.97 56.04 3i53 s GLU 328 Cb -0.18 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 3i53 s GLU 328 CO 0.04 0.39 0.00 -1.33 0.95 0.00 0.00 175.26 175.31 3i53 n MET 329 N 0.81 2.93 0.00 -4.83 2.81 -0.46 -2.01 117.12 116.36 3i53 n MET 329 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3i53 n MET 329 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 3i53 n MET 329 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11