#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s20 s VAL 3 N 0.00 0.32 0.46 3.15 -7.23 0.20 -5.00 120.40 112.30 1s20 s VAL 3 Ca 0.00 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.28 1s20 s VAL 3 Cb 0.00 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1s20 s VAL 3 CO 0.00 -0.97 0.77 0.42 -0.31 0.00 0.00 175.10 175.01 1s20 s THR 4 N -3.85 4.90 0.12 5.32 -4.23 -1.26 -2.61 115.64 114.03 1s20 s THR 4 Ca 0.08 0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1s20 s THR 4 Cb 0.07 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1s20 s THR 4 CO -0.09 -0.78 1.67 0.15 -0.54 0.00 0.00 174.62 175.04 1s20 h PHE 5 N 0.44 -0.37 -0.09 3.99 3.57 -1.96 0.36 116.94 122.88 1s20 h PHE 5 Ca -0.47 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1s20 h PHE 5 Cb 1.20 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1s20 h PHE 5 CO 0.59 -0.21 -0.02 1.49 -2.23 0.00 0.00 178.31 177.92 1s20 h GLU 6 N -0.21 0.13 -0.09 1.11 4.57 -1.99 -1.05 114.58 117.05 1s20 h GLU 6 Ca 0.07 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.01 1s20 h GLU 6 Cb 0.31 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1s20 h GLU 6 CO -0.20 0.16 -0.84 0.37 -1.18 0.00 0.00 179.01 177.33 1s20 h GLN 7 N 0.13 0.73 -0.13 1.92 4.15 -1.75 -1.93 115.11 118.23 1s20 h GLN 7 Ca 0.03 -0.66 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 1s20 h GLN 7 Cb 0.13 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1s20 h GLN 7 CO 0.00 1.26 0.03 1.25 -1.93 0.00 0.00 178.83 179.45 1s20 h LEU 8 N 0.44 0.20 -0.65 -2.39 5.85 -0.43 -2.63 115.31 115.69 1s20 h LEU 8 Ca -0.08 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1s20 h LEU 8 Cb 1.48 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1s20 h LEU 8 CO 0.17 0.37 0.41 0.50 -0.34 0.00 0.00 178.44 179.55 1s20 h LYS 9 N 0.02 0.87 -0.97 1.25 3.64 -1.25 -2.07 116.57 118.05 1s20 h LYS 9 Ca 0.04 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 1s20 h LYS 9 Cb 0.25 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1s20 h LYS 9 CO -0.00 0.60 0.61 0.00 -2.27 0.00 0.00 179.45 178.39 1s20 h ALA 10 N 1.22 1.66 -0.11 5.00 0.00 -1.18 0.32 119.26 126.16 1s20 h ALA 10 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1s20 h ALA 10 Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1s20 h ALA 10 CO -0.05 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.30 1s20 h ALA 11 N 1.58 0.15 -0.08 0.00 0.00 -1.02 -1.41 119.26 118.47 1s20 h ALA 11 Ca 0.49 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1s20 h ALA 11 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1s20 h ALA 11 CO -0.26 -0.21 -0.06 0.74 0.00 0.00 0.00 179.25 179.46 1s20 h PHE 12 N -0.04 -0.14 0.15 0.00 0.05 -0.75 -2.47 116.94 113.75 1s20 h PHE 12 Ca 0.03 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1s20 h PHE 12 Cb 0.27 0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.30 1s20 h PHE 12 CO 0.01 -0.09 -0.07 -0.97 -0.18 0.00 0.00 178.31 177.00 1s20 h ASN 13 N -0.06 -0.18 -0.37 2.17 -1.24 -0.96 -1.60 115.58 113.34 1s20 h ASN 13 Ca 0.05 0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.15 1s20 h ASN 13 Cb 0.14 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1s20 h ASN 13 CO -0.12 -0.13 0.26 -0.09 -1.29 0.00 0.00 177.43 176.06 1s20 h ARG 14 N -0.20 0.12 -0.00 6.67 2.43 -1.19 -0.45 114.38 121.75 1s20 h ARG 14 Ca -0.02 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1s20 h ARG 14 Cb 0.16 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1s20 h ARG 14 CO 0.03 0.08 -0.85 0.28 -1.51 0.00 0.00 179.97 178.00 1s20 h VAL 15 N 0.12 1.34 -0.39 0.20 2.07 -1.09 -3.07 116.25 115.44 1s20 h VAL 15 Ca 0.17 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1s20 h VAL 15 Cb 0.52 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1s20 h VAL 15 CO -0.02 0.66 0.20 -0.07 0.02 0.00 0.00 177.57 178.36 1s20 h LEU 16 N 0.18 0.50 -1.91 2.57 3.38 -0.27 -2.67 115.31 117.08 1s20 h LEU 16 Ca -0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1s20 h LEU 16 Cb 1.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1s20 h LEU 16 CO 0.17 0.46 -0.12 0.40 0.09 0.00 0.00 178.44 179.44 1s20 h ILE 17 N 0.50 0.71 -0.05 1.22 2.04 -1.22 -0.82 117.51 119.89 1s20 h ILE 17 Ca 0.14 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1s20 h ILE 17 Cb 0.08 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1s20 h ILE 17 CO -0.02 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 1s20 n SER 18 N -3.84 0.83 -0.31 1.72 3.41 -1.02 -3.39 113.62 111.01 1s20 n SER 18 Ca -0.02 -1.42 0.04 0.00 -0.26 0.00 0.00 58.87 57.21 1s20 n SER 18 Cb 0.22 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1s20 n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s20 n ARG 19 N -0.30 0.42 0.00 4.33 3.00 -0.34 -4.99 116.66 118.78 1s20 n ARG 19 Ca 0.18 -0.94 0.00 0.00 -0.01 0.00 0.00 57.85 57.09 1s20 n ARG 19 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.54 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s20 n GLY 20 N 0.51 0.77 3.71 -0.13 0.00 -1.17 -4.99 105.19 103.89 1s20 n GLY 20 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1s20 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 21 N -2.00 4.86 0.84 1.61 1.01 -1.03 -4.93 120.40 120.76 1s20 s VAL 21 Ca 0.00 1.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 1s20 s VAL 21 Cb 0.00 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.21 1s20 s VAL 21 CO 0.00 0.19 1.12 1.51 0.00 0.00 0.00 175.10 177.92 1s20 s ASP 22 N 0.86 3.77 0.14 3.32 -4.77 -1.26 -4.22 116.67 114.51 1s20 s ASP 22 Ca 0.49 1.99 -0.28 0.00 -3.30 0.00 0.00 52.55 51.45 1s20 s ASP 22 Cb -0.21 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.05 1s20 s ASP 22 CO 0.26 -2.53 1.58 0.28 0.70 0.00 0.00 175.17 175.46 1s20 h SER 23 N -1.47 -1.31 0.10 2.11 0.02 -1.98 0.96 113.55 111.98 1s20 h SER 23 Ca -0.43 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1s20 h SER 23 Cb 1.25 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 64.30 1s20 h SER 23 CO 0.47 -0.40 -0.46 -0.08 -1.14 0.00 0.00 176.83 175.22 1s20 h GLU 24 N -0.42 -0.62 -0.43 3.45 4.81 -2.00 0.12 114.58 119.48 1s20 h GLU 24 Ca 0.10 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1s20 h GLU 24 Cb 0.60 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1s20 h GLU 24 CO -0.45 -0.42 0.14 1.15 -0.73 0.00 0.00 179.01 178.70 1s20 h THR 25 N -0.65 0.84 -0.11 0.32 2.02 -1.90 -1.52 112.91 111.91 1s20 h THR 25 Ca -0.00 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1s20 h THR 25 Cb 0.65 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1s20 h THR 25 CO -0.25 0.05 -0.28 0.00 0.37 0.00 0.00 175.52 175.41 1s20 h ALA 26 N 1.30 -0.30 -0.23 6.16 0.00 -0.43 0.21 119.26 125.97 1s20 h ALA 26 Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1s20 h ALA 26 Cb 0.21 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1s20 h ALA 26 CO -0.23 -0.75 0.01 0.22 0.00 0.00 0.00 179.25 178.51 1s20 h ASP 27 N -0.36 -0.06 -0.34 0.00 3.58 -0.41 0.96 116.42 119.79 1s20 h ASP 27 Ca 0.09 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1s20 h ASP 27 Cb 0.50 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1s20 h ASP 27 CO -0.31 -0.00 0.16 0.00 -2.88 0.00 0.00 179.24 176.20 1s20 h ALA 28 N 1.19 0.41 -0.37 -0.78 0.00 -0.75 0.14 119.26 119.09 1s20 h ALA 28 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s20 h ALA 28 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1s20 h ALA 28 CO -0.17 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 178.96 1s20 h ALA 30 N 0.94 1.16 0.00 0.00 0.00 -0.46 -2.08 119.26 118.83 1s20 h ALA 30 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s20 h ALA 30 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s20 h ALA 30 CO -0.00 0.33 0.00 -1.91 0.00 0.00 0.00 179.25 177.67 1s20 n GLU 31 N -4.59 0.00 0.00 0.00 4.07 0.45 -1.16 120.64 119.42 1s20 n GLU 31 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1s20 n GLU 31 Cb 0.14 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 1s20 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1s20 n PHE 33 N 0.37 0.00 0.06 4.31 3.72 -0.78 -0.45 117.46 124.69 1s20 n PHE 33 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1s20 n PHE 33 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 1s20 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s20 h ALA 34 N 0.00 -0.20 -0.74 4.37 0.00 -1.40 -2.46 119.26 118.83 1s20 h ALA 34 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1s20 h ALA 34 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1s20 h ALA 34 CO 0.00 -0.38 0.48 0.00 0.00 0.00 0.00 179.25 179.35 1s20 h ARG 35 N -0.66 0.73 -0.45 0.00 2.47 -1.01 -1.07 114.38 114.39 1s20 h ARG 35 Ca -0.02 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 1s20 h ARG 35 Cb 0.49 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1s20 h ARG 35 CO 0.03 0.49 -0.06 1.15 0.56 0.00 0.00 179.97 182.14 1s20 h THR 36 N 0.76 1.27 -0.56 2.04 2.02 -1.80 -0.96 112.91 115.68 1s20 h THR 36 Ca 0.32 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1s20 h THR 36 Cb 0.28 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1s20 h THR 36 CO -0.11 0.40 -0.01 0.74 0.37 0.00 0.00 175.52 176.91 1s20 h THR 37 N 0.67 1.26 -0.62 3.16 2.02 -0.90 -2.33 112.91 116.18 1s20 h THR 37 Ca 0.12 -1.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 1s20 h THR 37 Cb 0.59 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1s20 h THR 37 CO 0.04 0.40 0.01 -0.08 0.37 0.00 0.00 175.52 176.26 1s20 h GLU 38 N 0.90 1.09 0.00 6.66 4.81 -1.03 -2.56 114.58 124.45 1s20 h GLU 38 Ca 0.16 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1s20 h GLU 38 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1s20 h GLU 38 CO 0.03 1.05 0.00 0.43 -0.73 0.00 0.00 179.01 179.79 1s20 n SER 39 N -4.18 0.40 0.00 1.04 7.64 -0.38 -4.27 113.62 113.87 1s20 n SER 39 Ca 0.03 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1s20 n SER 39 Cb 0.35 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1s20 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s20 n GLY 40 N -0.89 0.67 3.35 0.23 0.00 -0.96 -3.86 105.19 103.73 1s20 n GLY 40 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1s20 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 41 N -2.00 5.54 0.02 1.61 1.01 -0.89 -4.84 120.40 120.84 1s20 s VAL 41 Ca 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 61.98 59.50 1s20 s VAL 41 Cb 0.00 -4.53 -0.27 0.00 0.00 0.00 0.00 36.38 31.58 1s20 s VAL 41 CO 0.00 -1.12 0.90 1.88 0.00 0.00 0.00 175.10 176.77 1s20 h TYR 42 N 7.77 0.36 -0.84 5.22 -1.99 -1.84 -2.71 116.97 122.95 1s20 h TYR 42 Ca 0.13 -0.26 0.14 0.00 2.00 0.00 0.00 58.73 60.73 1s20 h TYR 42 Cb 1.02 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.67 1s20 h TYR 42 CO 1.03 1.30 0.55 0.66 -0.00 0.00 0.00 178.16 181.69 1s20 h SER 43 N 0.05 0.57 -0.12 3.88 4.64 -1.96 -1.41 113.55 119.20 1s20 h SER 43 Ca -0.21 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1s20 h SER 43 Cb 1.98 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1s20 h SER 43 CO 0.15 0.30 0.00 1.41 -0.87 0.00 0.00 176.83 177.82 1s20 n HIS 44 N -4.53 0.42 0.00 4.77 8.25 -1.25 -3.79 115.22 119.09 1s20 n HIS 44 Ca 0.16 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1s20 n HIS 44 Cb 0.47 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1s20 n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 45 N -0.93 1.80 0.41 -1.41 0.00 -0.62 -4.21 105.19 100.24 1s20 n GLY 45 Ca 0.17 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.43 1s20 n GLY 45 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s20 h VAL 46 N 0.00 0.48 -0.16 1.61 3.04 -1.74 -0.51 116.25 118.96 1s20 h VAL 46 Ca 0.00 -0.12 -0.08 0.00 -1.01 0.00 0.00 66.70 65.48 1s20 h VAL 46 Cb 0.00 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 1s20 h VAL 46 CO 0.00 0.07 -0.26 0.78 -1.01 0.00 0.00 177.57 177.15 1s20 h ASN 47 N 0.36 0.30 0.75 3.17 -0.26 -1.60 -2.94 115.58 115.35 1s20 h ASN 47 Ca 0.62 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 1s20 h ASN 47 Cb 1.61 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.79 1s20 h ASN 47 CO -0.31 0.56 -0.34 -1.14 -1.06 0.00 0.00 177.43 175.15 1s20 n ARG 48 N -4.14 0.05 -0.29 0.81 3.00 -0.22 -4.16 116.66 111.71 1s20 n ARG 48 Ca -0.01 0.02 0.01 0.00 -0.00 0.00 0.00 57.85 57.87 1s20 n ARG 48 Cb 0.38 -1.54 0.14 0.00 0.00 0.00 0.00 32.46 31.44 1s20 n ARG 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1s20 h PHE 49 N 0.00 0.92 -0.07 -0.14 3.57 -1.32 0.19 116.94 120.09 1s20 h PHE 49 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1s20 h PHE 49 Cb 0.54 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1s20 h PHE 49 CO 0.00 0.45 -0.01 -1.35 -2.23 0.00 0.00 178.31 175.17 1s20 h PRO 50 N 0.90 0.01 -0.36 6.41 0.11 -1.77 -0.11 132.00 137.20 1s20 h PRO 50 Ca 0.37 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.47 1s20 h PRO 50 Cb 0.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1s20 h PRO 50 CO -0.19 0.01 0.21 -0.09 -0.21 0.00 0.00 178.00 177.73 1s20 h ARG 51 N 0.01 0.49 -0.14 1.05 9.65 -1.71 -2.07 114.38 121.66 1s20 h ARG 51 Ca 0.03 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1s20 h ARG 51 Cb 0.05 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 1s20 h ARG 51 CO -0.07 0.38 -0.54 0.35 2.80 0.00 0.00 179.97 182.90 1s20 h PHE 52 N 0.46 -1.60 -0.80 2.20 3.57 -0.10 -0.41 116.94 120.25 1s20 h PHE 52 Ca 0.13 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.84 1s20 h PHE 52 Cb 0.02 0.72 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 1s20 h PHE 52 CO -0.03 -0.54 0.53 0.82 -2.23 0.00 0.00 178.31 176.85 1s20 h ILE 53 N -0.58 0.80 -0.36 1.41 1.08 -0.88 -0.63 117.51 118.35 1s20 h ILE 53 Ca 0.04 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1s20 h ILE 53 Cb 0.68 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1s20 h ILE 53 CO -0.44 0.09 0.24 -0.61 -0.69 0.00 0.00 178.15 176.74 1s20 h GLN 54 N 0.50 0.48 0.00 2.37 5.75 -0.38 -1.33 115.11 122.51 1s20 h GLN 54 Ca 0.40 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.78 1s20 h GLN 54 Cb 0.82 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1s20 h GLN 54 CO -0.15 0.33 -0.40 1.96 -2.65 0.00 0.00 178.83 177.93 1s20 h GLN 55 N 0.49 0.00 -0.19 1.69 4.20 -0.38 -2.43 115.11 118.49 1s20 h GLN 55 Ca 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1s20 h GLN 55 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1s20 h GLN 55 CO -0.03 0.40 0.05 1.25 -0.67 0.00 0.00 178.83 179.82 1s20 h LEU 56 N 0.00 0.29 -1.12 1.46 5.85 -0.62 -1.58 115.31 119.59 1s20 h LEU 56 Ca -0.00 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1s20 h LEU 56 Cb 0.74 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1s20 h LEU 56 CO 0.05 0.45 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.21 1s20 h GLU 57 N 0.12 0.55 0.00 1.25 5.08 -1.13 -1.47 114.58 118.98 1s20 h GLU 57 Ca 0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1s20 h GLU 57 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1s20 h GLU 57 CO 0.00 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.72 1s20 n ASN 58 N -4.24 0.22 0.00 1.42 5.03 -0.93 -4.87 115.26 111.90 1s20 n ASN 58 Ca 0.01 0.55 0.00 0.00 0.87 0.00 0.00 54.58 56.02 1s20 n ASN 58 Cb 0.29 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s20 n GLY 59 N -0.03 0.76 0.26 7.41 0.00 -0.55 -4.91 105.19 108.12 1s20 n GLY 59 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1s20 n GLY 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s20 h ASP 60 N 0.00 0.01 -3.43 1.61 3.32 -1.49 -3.41 116.42 113.02 1s20 h ASP 60 Ca 0.00 -0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1s20 h ASP 60 Cb 0.00 -0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1s20 h ASP 60 CO 0.00 0.03 -0.67 -0.63 -1.72 0.00 0.00 179.24 176.25 1s20 s ILE 61 N -5.01 3.95 -0.47 0.35 1.01 -1.24 -4.87 121.20 114.92 1s20 s ILE 61 Ca -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1s20 s ILE 61 Cb 0.17 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.98 1s20 s ILE 61 CO 0.67 0.31 0.23 -0.63 0.00 0.00 0.00 174.94 175.52 1s20 s ILE 62 N -1.12 2.03 0.38 2.92 1.01 0.23 -4.89 121.20 121.76 1s20 s ILE 62 Ca 0.21 -2.89 0.18 0.00 0.00 0.00 0.00 60.65 58.14 1s20 s ILE 62 Cb -0.11 -2.42 0.38 0.00 0.01 0.00 0.00 42.46 40.31 1s20 s ILE 62 CO 0.12 -0.82 1.71 -0.65 0.00 0.00 0.00 174.94 175.29 1s20 h PRO 63 N 6.70 0.34 -0.04 2.79 0.11 -1.94 0.22 132.00 140.19 1s20 h PRO 63 Ca -0.05 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1s20 h PRO 63 Cb 0.92 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1s20 h PRO 63 CO 0.59 0.23 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.66 1s20 h ASP 64 N 0.35 0.11 -3.58 -2.05 5.19 -1.94 -3.46 116.42 111.04 1s20 h ASP 64 Ca 0.68 -0.05 -0.57 0.00 -0.62 0.00 0.00 57.03 56.47 1s20 h ASP 64 Cb 1.69 -0.03 0.16 0.00 0.18 0.00 0.00 39.33 41.33 1s20 h ASP 64 CO -0.42 0.59 0.19 0.00 -3.12 0.00 0.00 179.24 176.48 1s20 n ALA 65 N -2.45 0.35 -2.84 3.45 0.00 0.76 -5.03 120.51 114.74 1s20 n ALA 65 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1s20 n ALA 65 Cb 0.53 -2.14 -0.11 0.00 0.00 0.00 0.00 19.45 17.73 1s20 n ALA 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s20 s GLN 66 N -2.71 0.43 0.28 0.00 -1.52 -1.26 -4.68 119.66 110.20 1s20 s GLN 66 Ca 0.74 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 53.11 1s20 s GLN 66 Cb -0.43 -0.04 -0.12 0.00 -0.22 0.00 0.00 33.01 32.19 1s20 s GLN 66 CO 0.48 -0.02 1.48 -2.30 -0.25 0.00 0.00 175.29 174.69 1s20 n PRO 67 N 1.38 2.37 -4.35 2.91 -0.02 -1.26 -4.65 135.00 131.38 1s20 n PRO 67 Ca -0.22 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 1s20 n PRO 67 Cb 0.56 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 1s20 n PRO 67 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s20 s LYS 68 N -0.67 1.32 0.44 -0.52 2.20 -0.26 -4.98 119.74 117.27 1s20 s LYS 68 Ca 0.64 -0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.76 1s20 s LYS 68 Cb -0.56 -1.19 -0.08 0.00 -1.51 0.00 0.00 37.83 34.48 1s20 s LYS 68 CO 0.51 -0.05 1.07 0.50 -0.36 0.00 0.00 175.35 177.02 1s20 s ARG 69 N 0.88 3.96 -0.08 4.03 3.52 -1.26 0.41 118.95 130.41 1s20 s ARG 69 Ca -0.11 1.51 -0.04 0.00 -0.13 0.00 0.00 55.73 56.96 1s20 s ARG 69 Cb -0.15 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1s20 s ARG 69 CO 0.01 -0.32 -0.10 -0.89 -0.81 0.00 0.00 175.30 173.20 1s20 n ILE 70 N -0.45 0.43 -3.86 4.11 2.08 0.27 -4.83 119.36 117.10 1s20 n ILE 70 Ca 0.07 -0.11 -0.11 0.00 0.56 0.00 0.00 62.75 63.15 1s20 n ILE 70 Cb 0.50 -1.54 -0.11 0.00 -0.75 0.00 0.00 39.64 37.75 1s20 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1s20 s THR 71 N -2.14 0.06 -0.24 1.39 2.01 -0.98 -4.95 115.64 110.78 1s20 s THR 71 Ca -0.11 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1s20 s THR 71 Cb 0.04 -0.36 0.07 0.00 0.01 0.00 0.00 72.50 72.26 1s20 s THR 71 CO 0.14 -0.27 0.02 -0.55 -0.69 0.00 0.00 174.62 173.27 1s20 s SER 72 N -0.93 3.60 -0.24 3.53 0.15 -1.26 -0.28 113.70 118.26 1s20 s SER 72 Ca -0.10 -1.20 0.12 0.00 0.70 0.00 0.00 55.95 55.46 1s20 s SER 72 Cb -0.06 -0.91 0.74 0.00 -1.71 0.00 0.00 66.02 64.08 1s20 s SER 72 CO 0.01 -0.31 1.67 0.18 1.20 0.00 0.00 173.24 175.99 1s20 n LEU 73 N 4.83 5.50 0.00 3.45 4.77 0.43 -5.00 117.00 130.98 1s20 n LEU 73 Ca -0.08 -2.81 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1s20 n LEU 73 Cb 0.45 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1s20 n LEU 73 CO 0.15 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1s20 n GLY 74 N 0.39 0.81 0.08 -0.72 0.00 -1.26 -4.40 105.19 100.09 1s20 n GLY 74 Ca 0.29 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1s20 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 n ALA 75 N 0.80 2.33 -2.48 4.61 0.00 -1.26 -4.79 120.51 119.72 1s20 n ALA 75 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1s20 n ALA 75 Cb 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 1s20 n ALA 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1s20 s ILE 76 N -3.08 1.43 0.00 0.00 2.07 -1.26 -1.56 121.20 118.79 1s20 s ILE 76 Ca 0.11 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 1s20 s ILE 76 Cb 0.14 -1.19 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1s20 s ILE 76 CO 0.59 0.40 -0.08 -1.61 -1.91 0.00 0.00 174.94 172.33 1s20 s GLU 77 N -0.44 0.60 -0.22 3.50 2.02 -0.80 -0.43 118.70 122.94 1s20 s GLU 77 Ca 0.07 -0.32 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 1s20 s GLU 77 Cb -0.07 -0.57 -0.05 0.00 0.10 0.00 0.00 34.13 33.54 1s20 s GLU 77 CO -0.01 0.15 0.14 -1.14 0.02 0.00 0.00 175.26 174.43 1s20 s GLN 78 N -0.32 4.13 0.11 1.61 0.74 0.62 -1.59 119.66 124.96 1s20 s GLN 78 Ca 0.02 -0.24 0.08 0.00 0.05 0.00 0.00 55.36 55.27 1s20 s GLN 78 Cb -0.04 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1s20 s GLN 78 CO -0.00 0.19 -0.21 -1.58 -0.55 0.00 0.00 175.29 173.15 1s20 s TRP 79 N 0.67 1.79 -0.32 1.67 0.52 0.18 0.96 118.94 124.39 1s20 s TRP 79 Ca 0.08 -0.42 -0.06 0.00 0.02 0.00 0.00 56.10 55.72 1s20 s TRP 79 Cb -0.12 -0.97 0.04 0.00 -1.15 0.00 0.00 33.47 31.26 1s20 s TRP 79 CO 0.01 0.21 0.08 0.34 0.02 0.00 0.00 176.95 177.61 1s20 s ASP 80 N -1.96 5.19 0.52 2.95 3.68 0.17 -1.14 116.67 126.08 1s20 s ASP 80 Ca 0.07 -1.10 0.34 0.00 2.13 0.00 0.00 52.55 53.99 1s20 s ASP 80 Cb -0.10 -1.84 1.59 0.00 -1.45 0.00 0.00 42.92 41.12 1s20 s ASP 80 CO 0.04 -0.29 2.03 0.00 0.13 0.00 0.00 175.17 177.08 1s20 h ALA 81 N 8.18 1.00 -5.72 3.66 0.00 -1.27 -0.68 119.26 124.44 1s20 h ALA 81 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.25 1s20 h ALA 81 Cb 1.08 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1s20 h ALA 81 CO 0.59 0.00 -0.63 1.04 0.00 0.00 0.00 179.25 180.25 1s20 n GLN 82 N -2.91 -3.75 -2.52 0.00 6.02 -1.24 -1.17 117.38 111.81 1s20 n GLN 82 Ca -0.00 0.50 -0.18 0.00 -0.01 0.00 0.00 57.00 57.31 1s20 n GLN 82 Cb 0.21 -5.25 0.00 0.00 1.02 0.00 0.00 30.24 26.23 1s20 n GLN 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s20 n ARG 83 N -3.98 -2.31 -2.01 -1.09 5.12 0.26 -4.80 116.66 107.85 1s20 n ARG 83 Ca 0.00 0.82 -0.29 0.00 -1.93 0.00 0.00 57.85 56.46 1s20 n ARG 83 Cb 0.53 -5.33 0.18 0.00 -1.16 0.00 0.00 32.46 26.69 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s20 s SER 84 N -2.39 3.16 0.27 0.55 1.04 -0.32 -0.60 113.70 115.41 1s20 s SER 84 Ca 0.08 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 1s20 s SER 84 Cb -0.04 -0.20 -0.11 0.00 0.10 0.00 0.00 66.02 65.77 1s20 s SER 84 CO 0.10 -2.70 1.62 -0.63 0.98 0.00 0.00 173.24 172.62 1s20 s ILE 85 N -3.83 2.06 0.02 -1.02 1.01 -1.26 -4.01 121.20 114.18 1s20 s ILE 85 Ca 0.74 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 1s20 s ILE 85 Cb -0.03 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1s20 s ILE 85 CO 0.52 0.01 1.17 1.23 0.00 0.00 0.00 174.94 177.87 1s20 h GLY 86 N 5.32 -0.81 0.90 6.18 0.00 -1.74 -2.73 103.07 110.19 1s20 h GLY 86 Ca -0.46 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1s20 h GLY 86 CO 0.83 -0.28 0.16 3.45 0.00 0.00 0.00 176.54 180.71 1s20 h ASN 87 N -0.32 0.26 -0.24 0.19 7.08 -1.71 -0.78 115.58 120.06 1s20 h ASN 87 Ca -0.02 0.01 0.04 0.00 -3.08 0.00 0.00 56.30 53.24 1s20 h ASN 87 Cb 0.27 -0.04 -0.04 0.00 -2.08 0.00 0.00 38.32 36.43 1s20 h ASN 87 CO -0.01 0.19 0.01 -0.07 -2.08 0.00 0.00 177.43 175.48 1s20 h LEU 88 N 0.34 -0.06 -0.51 6.14 3.38 -1.93 -1.16 115.31 121.51 1s20 h LEU 88 Ca 0.12 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1s20 h LEU 88 Cb 0.02 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s20 h LEU 88 CO -0.07 -0.00 0.00 0.74 0.09 0.00 0.00 178.44 179.20 1s20 h THR 89 N 0.09 1.26 -0.83 0.22 2.02 -1.34 -2.42 112.91 111.92 1s20 h THR 89 Ca 0.11 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1s20 h THR 89 Cb 0.14 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1s20 h THR 89 CO -0.18 0.38 0.55 0.00 0.37 0.00 0.00 175.52 176.64 1s20 h ALA 90 N 0.94 1.05 -0.62 6.16 0.00 -0.94 -2.02 119.26 123.83 1s20 h ALA 90 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1s20 h ALA 90 Cb 0.51 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1s20 h ALA 90 CO 0.03 0.45 0.39 -0.22 0.00 0.00 0.00 179.25 179.90 1s20 h LYS 91 N 1.11 0.76 -4.87 0.00 3.64 -1.01 -3.41 116.57 112.79 1s20 h LYS 91 Ca 0.31 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 59.13 1s20 h LYS 91 Cb -0.12 -0.17 0.05 0.00 -0.41 0.00 0.00 32.23 31.58 1s20 h LYS 91 CO -0.07 0.50 1.59 1.63 -2.27 0.00 0.00 179.45 180.83 1s20 n LYS 92 N -4.70 1.02 0.00 1.90 5.02 -0.76 -4.66 118.16 115.97 1s20 n LYS 92 Ca 0.05 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1s20 n LYS 92 Cb 0.06 -3.08 0.00 0.00 -0.02 0.00 0.00 35.03 31.99 1s20 n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s20 n ASP 95 N 10.52 0.00 -0.03 4.39 10.43 -1.26 -4.66 116.55 135.94 1s20 n ASP 95 Ca 0.47 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.74 1s20 n ASP 95 Cb 0.43 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.45 1s20 n ASP 95 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1s20 h ARG 96 N 0.00 0.64 -0.04 -1.24 9.65 -1.94 -2.29 114.38 119.15 1s20 h ARG 96 Ca 0.00 -0.36 -0.09 0.00 -1.10 0.00 0.00 59.98 58.44 1s20 h ARG 96 Cb 0.00 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1s20 h ARG 96 CO 0.00 0.97 -0.37 0.00 2.80 0.00 0.00 179.97 183.36 1s20 h ALA 97 N 0.98 1.31 -0.38 2.80 0.00 -1.91 -1.27 119.26 120.78 1s20 h ALA 97 Ca 0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1s20 h ALA 97 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1s20 h ALA 97 CO 0.09 0.50 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 1s20 h ILE 98 N 0.07 1.28 -0.26 0.00 2.04 -1.82 -0.67 117.51 118.15 1s20 h ILE 98 Ca 0.01 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1s20 h ILE 98 Cb 0.69 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1s20 h ILE 98 CO 0.05 0.40 -0.04 -0.33 0.00 0.00 0.00 178.15 178.23 1s20 h GLU 99 N 0.56 0.41 -0.20 2.37 5.08 -0.99 -0.34 114.58 121.47 1s20 h GLU 99 Ca 0.09 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1s20 h GLU 99 Cb 0.65 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1s20 h GLU 99 CO 0.04 0.47 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.84 1s20 h LEU 100 N 0.39 0.89 -1.17 1.33 3.38 -1.01 -3.13 115.31 115.98 1s20 h LEU 100 Ca 0.08 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1s20 h LEU 100 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1s20 h LEU 100 CO 0.01 1.32 -0.30 0.00 0.09 0.00 0.00 178.44 179.56 1s20 h ALA 101 N 0.60 1.31 0.00 1.53 0.00 -0.71 -0.44 119.26 121.55 1s20 h ALA 101 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1s20 h ALA 101 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1s20 h ALA 101 CO 0.13 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1s20 h ALA 102 N 1.53 1.00 0.00 0.00 0.00 -1.01 0.50 119.26 121.27 1s20 h ALA 102 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1s20 h ALA 102 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1s20 h ALA 102 CO 0.05 0.00 -1.65 -0.25 0.00 0.00 0.00 179.25 177.40 1s20 n ASP 103 N -2.46 2.87 -0.43 0.00 8.00 -0.87 -4.71 116.55 118.95 1s20 n ASP 103 Ca 0.00 -0.03 0.07 0.00 0.71 0.00 0.00 54.79 55.55 1s20 n ASP 103 Cb 0.17 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 1s20 n ASP 103 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s20 n HIS 104 N -2.55 0.00 0.00 1.24 8.25 -0.23 -4.98 115.22 116.95 1s20 n HIS 104 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1s20 n HIS 104 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1s20 n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 105 N 1.00 2.41 2.86 -1.41 0.00 0.17 -4.93 105.19 105.30 1s20 n GLY 105 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1s20 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s20 s ILE 106 N -0.64 0.13 0.06 -0.61 2.07 -1.24 -0.80 121.20 120.16 1s20 s ILE 106 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1s20 s ILE 106 Cb 0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.40 1s20 s ILE 106 CO 0.00 0.07 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.09 1s20 s GLY 107 N 0.37 1.03 -0.03 1.50 0.00 0.45 -4.28 107.32 106.36 1s20 s GLY 107 Ca -0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 1s20 s GLY 107 CO -0.01 -0.98 0.06 -2.27 0.00 0.00 0.00 173.10 169.90 1s20 s LEU 108 N -1.34 1.40 -0.14 0.66 0.20 -0.60 -1.15 118.68 117.71 1s20 s LEU 108 Ca 0.05 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.00 1s20 s LEU 108 Cb -0.09 0.14 0.02 0.00 -0.43 0.00 0.00 46.19 45.84 1s20 s LEU 108 CO 0.02 -0.07 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.18 1s20 s VAL 109 N 0.53 1.51 -0.20 1.68 1.01 0.76 -1.90 120.40 123.78 1s20 s VAL 109 Ca -0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1s20 s VAL 109 Cb -0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1s20 s VAL 109 CO -0.02 0.45 0.07 0.00 0.00 0.00 0.00 175.10 175.60 1s20 s ALA 110 N 1.46 3.35 -0.07 5.51 0.00 -0.62 -0.96 121.76 130.43 1s20 s ALA 110 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1s20 s ALA 110 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1s20 s ALA 110 CO -0.10 -0.01 -0.20 -1.17 0.00 0.00 0.00 175.76 174.28 1s20 s LEU 111 N 0.73 1.94 0.38 0.00 2.96 -0.48 0.47 118.68 124.69 1s20 s LEU 111 Ca 0.04 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1s20 s LEU 111 Cb -0.13 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.33 1s20 s LEU 111 CO 0.02 0.14 0.08 0.00 -1.32 0.00 0.00 176.35 175.27 1s20 s ARG 112 N 0.27 2.12 -1.43 1.98 1.70 -0.30 -1.57 118.95 121.72 1s20 s ARG 112 Ca -0.12 -1.86 -0.09 0.00 -0.47 0.00 0.00 55.73 53.19 1s20 s ARG 112 Cb -0.15 -1.89 0.05 0.00 -0.57 0.00 0.00 34.95 32.38 1s20 s ARG 112 CO 0.05 -0.01 0.66 0.09 -1.08 0.00 0.00 175.30 175.02 1s20 n ASN 113 N -1.07 -4.90 -4.95 -2.89 3.02 -1.07 -0.98 115.26 102.41 1s20 n ASN 113 Ca -0.03 -0.43 -0.21 0.00 -0.03 0.00 0.00 54.58 53.87 1s20 n ASN 113 Cb 0.64 -3.97 0.04 0.00 -0.61 0.00 0.00 39.78 35.88 1s20 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s20 s ALA 114 N -3.11 3.91 0.25 5.41 0.00 0.14 -0.58 121.76 127.79 1s20 s ALA 114 Ca 0.43 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 51.09 1s20 s ALA 114 Cb -0.21 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1s20 s ALA 114 CO 0.53 -0.80 0.04 -0.80 0.00 0.00 0.00 175.76 174.73 1s20 s ASN 115 N -4.46 4.81 -0.09 0.00 0.01 -1.26 -0.06 114.94 113.90 1s20 s ASN 115 Ca 0.58 -0.52 -0.41 0.00 -0.71 0.00 0.00 52.86 51.81 1s20 s ASN 115 Cb -0.10 -1.00 -0.19 0.00 0.41 0.00 0.00 41.25 40.37 1s20 s ASN 115 CO 0.39 0.00 1.23 1.57 -1.51 0.00 0.00 177.10 178.79 1s20 n HIS 116 N -0.85 1.03 0.00 2.20 -0.00 -1.26 -4.27 115.22 112.06 1s20 n HIS 116 Ca -0.07 1.00 0.00 0.00 0.46 0.00 0.00 57.72 59.10 1s20 n HIS 116 Cb 0.58 -2.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.29 1s20 n HIS 116 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 1s20 n TRP 117 N 2.26 0.00 -0.15 1.57 2.14 -1.26 -3.91 117.44 118.09 1s20 n TRP 117 Ca 0.22 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.76 1s20 n TRP 117 Cb 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 1s20 n TRP 117 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 1s20 n ARG 119 N 0.00 0.00 -0.20 -2.67 0.63 -1.26 -4.08 116.66 109.08 1s20 n ARG 119 Ca 0.00 0.00 0.24 0.00 -0.92 0.00 0.00 57.85 57.17 1s20 n ARG 119 Cb 0.00 -0.13 0.63 0.00 0.45 0.00 0.00 32.46 33.41 1s20 n ARG 119 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1s20 h GLY 120 N 1.20 0.38 2.00 5.14 0.00 -1.99 0.15 103.07 109.95 1s20 h GLY 120 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1s20 h GLY 120 CO 0.15 -0.01 -0.03 -1.33 0.00 0.00 0.00 176.54 175.33 1s20 h GLY 121 N 0.17 0.00 0.41 4.60 0.00 -1.96 -2.41 103.07 103.87 1s20 h GLY 121 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.90 1s20 h GLY 121 CO -0.08 0.00 0.63 1.76 0.00 0.00 0.00 176.54 178.85 1s20 h SER 122 N 0.00 0.91 0.88 0.19 0.02 -1.09 0.24 113.55 114.68 1s20 h SER 122 Ca -0.00 0.06 -0.23 0.00 -0.84 0.00 0.00 61.79 60.78 1s20 h SER 122 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1s20 h SER 122 CO 0.00 0.45 -1.10 1.88 -1.14 0.00 0.00 176.83 176.93 1s20 h TYR 123 N 0.96 0.14 -0.08 3.45 0.05 -1.60 -1.16 116.97 118.72 1s20 h TYR 123 Ca 0.51 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 59.06 1s20 h TYR 123 Cb 0.57 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1s20 h TYR 123 CO -0.00 1.08 -0.56 0.78 -1.05 0.00 0.00 178.16 178.41 1s20 h GLY 124 N 2.62 0.26 0.76 3.88 0.00 -1.36 -2.84 103.07 106.39 1s20 h GLY 124 Ca -0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1s20 h GLY 124 CO 0.15 0.27 -0.22 -0.25 0.00 0.00 0.00 176.54 176.48 1s20 h TRP 125 N 0.18 0.50 0.00 5.60 2.91 -0.48 -2.75 115.95 121.91 1s20 h TRP 125 Ca -0.00 -0.17 -0.02 0.00 1.13 0.00 0.00 58.89 59.83 1s20 h TRP 125 Cb 1.04 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1s20 h TRP 125 CO 0.02 0.84 -0.11 -0.56 -1.03 0.00 0.00 178.44 177.60 1s20 h GLN 126 N 0.02 0.00 0.51 2.65 3.07 -1.15 -0.39 115.11 119.81 1s20 h GLN 126 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1s20 h GLN 126 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1s20 h GLN 126 CO 0.05 0.11 -0.24 0.00 0.09 0.00 0.00 178.83 178.84 1s20 h ALA 127 N 1.89 -0.68 -0.76 0.06 0.00 -1.45 -3.17 119.26 115.14 1s20 h ALA 127 Ca -0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 1s20 h ALA 127 Cb 0.22 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1s20 h ALA 127 CO 0.01 -0.68 0.51 0.00 0.00 0.00 0.00 179.25 179.10 1s20 h ALA 128 N -0.95 2.16 0.00 0.00 0.00 -1.12 0.23 119.26 119.58 1s20 h ALA 128 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s20 h ALA 128 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s20 h ALA 128 CO 0.11 -0.37 0.00 0.93 0.00 0.00 0.00 179.25 179.92 1s20 h GLU 129 N 0.38 0.00 -0.46 0.00 5.08 -1.05 -1.30 114.58 117.23 1s20 h GLU 129 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1s20 h GLU 129 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1s20 h GLU 129 CO -0.12 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.52 1s20 n LYS 130 N -2.89 3.11 -0.68 2.33 5.02 0.79 -4.95 118.16 120.89 1s20 n LYS 130 Ca -0.01 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1s20 n LYS 130 Cb 0.14 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1s20 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s20 n GLY 131 N 0.62 0.82 3.94 0.72 0.00 -0.49 -5.05 105.19 105.75 1s20 n GLY 131 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1s20 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s20 s TYR 132 N -3.18 3.48 -0.09 1.61 1.51 -1.06 -4.24 117.35 115.38 1s20 s TYR 132 Ca 0.00 0.12 -0.27 0.00 -1.01 0.00 0.00 57.07 55.91 1s20 s TYR 132 Cb 0.00 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1s20 s TYR 132 CO 0.00 0.52 0.86 0.42 -1.11 0.00 0.00 175.55 176.24 1s20 s ILE 133 N -1.73 4.91 -0.14 2.71 1.01 0.28 -2.38 121.20 125.86 1s20 s ILE 133 Ca 0.34 1.74 -0.02 0.00 0.00 0.00 0.00 60.65 62.71 1s20 s ILE 133 Cb -0.11 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1s20 s ILE 133 CO 0.28 0.11 -0.06 -0.83 0.00 0.00 0.00 174.94 174.45 1s20 s GLY 134 N 1.02 1.69 -0.03 6.18 0.00 -0.15 -1.29 107.32 114.74 1s20 s GLY 134 Ca 0.43 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 1s20 s GLY 134 CO 0.18 -0.19 0.05 -0.42 0.00 0.00 0.00 173.10 172.72 1s20 s ILE 135 N 0.15 -0.08 0.19 0.90 1.01 -0.11 -0.08 121.20 123.18 1s20 s ILE 135 Ca -0.02 0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1s20 s ILE 135 Cb -0.14 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1s20 s ILE 135 CO 0.03 0.12 0.48 0.00 0.00 0.00 0.00 174.94 175.57 1s20 s TRP 137 N -3.89 -0.20 0.20 0.00 -2.14 -0.87 -0.87 118.94 111.17 1s20 s TRP 137 Ca 0.10 -0.08 -0.11 0.00 2.66 0.00 0.00 56.10 58.67 1s20 s TRP 137 Cb -0.00 0.62 -0.00 0.00 -3.10 0.00 0.00 33.47 30.99 1s20 s TRP 137 CO -0.02 -0.81 0.37 -0.08 -2.66 0.00 0.00 176.95 173.75 1s20 s THR 138 N -3.33 0.04 0.57 0.66 -1.32 -1.23 -0.35 115.64 110.67 1s20 s THR 138 Ca 0.10 -1.34 0.08 0.00 -1.21 0.00 0.00 61.69 59.32 1s20 s THR 138 Cb -0.02 -1.95 0.07 0.00 -1.51 0.00 0.00 72.50 69.09 1s20 s THR 138 CO -0.00 -0.16 0.61 0.54 -2.21 0.00 0.00 174.62 173.39 1s20 s ASN 139 N -2.98 4.84 0.07 8.08 2.20 -0.77 -3.85 114.94 122.54 1s20 s ASN 139 Ca 0.19 -1.07 -0.02 0.00 -0.94 0.00 0.00 52.86 51.02 1s20 s ASN 139 Cb 0.02 0.41 0.01 0.00 -2.00 0.00 0.00 41.25 39.69 1s20 s ASN 139 CO 0.03 -1.25 0.13 -1.54 -2.94 0.00 0.00 177.10 171.53 1s20 n SER 140 N -2.02 -0.39 -4.84 3.54 3.41 -1.26 -4.70 113.62 107.36 1s20 n SER 140 Ca 0.07 -1.33 -0.31 0.00 -0.26 0.00 0.00 58.87 57.04 1s20 n SER 140 Cb 0.63 0.66 0.05 0.00 -0.26 0.00 0.00 64.21 65.29 1s20 n SER 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1s20 s ILE 141 N -2.72 4.01 -0.40 -1.33 -4.36 -1.26 -4.48 121.20 110.66 1s20 s ILE 141 Ca 0.04 0.65 -0.28 0.00 -0.26 0.00 0.00 60.65 60.80 1s20 s ILE 141 Cb -0.01 -3.48 -0.02 0.00 1.25 0.00 0.00 42.46 40.21 1s20 s ILE 141 CO 0.03 -0.85 1.77 0.00 0.24 0.00 0.00 174.94 176.12 1s20 s ALA 142 N -3.12 2.72 -0.22 2.27 0.00 -1.26 -4.29 121.76 117.86 1s20 s ALA 142 Ca 0.58 0.00 0.13 0.00 0.00 0.00 0.00 51.96 52.67 1s20 s ALA 142 Cb -0.13 -4.07 0.44 0.00 0.00 0.00 0.00 23.12 19.36 1s20 s ALA 142 CO 0.54 -2.90 1.19 1.33 0.00 0.00 0.00 175.76 175.93 1s20 n VAL 143 N 7.33 1.95 -4.94 0.00 0.24 -1.10 -4.76 118.33 117.04 1s20 n VAL 143 Ca 0.22 -3.28 -0.27 0.00 -2.04 0.00 0.00 64.34 58.97 1s20 n VAL 143 Cb 0.48 -0.24 -0.16 0.00 -1.47 0.00 0.00 33.84 32.45 1s20 n VAL 143 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1s20 s PRO 145 N -3.02 1.84 0.85 7.34 0.04 -1.26 -4.72 135.00 136.07 1s20 s PRO 145 Ca 0.41 -0.69 -0.11 0.00 0.04 0.00 0.00 61.00 60.65 1s20 s PRO 145 Cb 0.38 -1.64 0.11 0.00 0.04 0.00 0.00 34.50 33.38 1s20 s PRO 145 CO -0.04 0.32 1.15 -1.25 0.04 0.00 0.00 177.00 177.23 1s20 s PRO 146 N -0.16 1.48 0.09 0.56 0.04 -1.26 -4.82 135.00 130.93 1s20 s PRO 146 Ca -0.00 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.26 1s20 s PRO 146 Cb -0.11 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 1s20 s PRO 146 CO 0.01 -2.29 1.81 1.87 0.04 0.00 0.00 177.00 178.45 1s20 n TRP 147 N -3.75 2.50 0.00 0.56 -0.00 -1.26 -1.42 117.44 114.07 1s20 n TRP 147 Ca 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 1s20 n TRP 147 Cb 0.52 -2.69 0.00 0.00 -0.00 0.00 0.00 31.31 29.14 1s20 n TRP 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s20 n GLY 148 N 4.14 1.12 3.84 5.87 0.00 -1.26 -5.06 105.19 113.83 1s20 n GLY 148 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1s20 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 149 N -2.18 3.93 -0.18 4.61 0.00 -0.51 -5.03 121.76 122.40 1s20 s ALA 149 Ca 0.00 -1.94 0.19 0.00 0.00 0.00 0.00 51.96 50.21 1s20 s ALA 149 Cb 0.00 -0.85 0.46 0.00 0.00 0.00 0.00 23.12 22.74 1s20 s ALA 149 CO 0.00 -0.20 1.16 0.36 0.00 0.00 0.00 175.76 177.08 1s20 n LYS 150 N -1.46 1.52 -3.73 0.00 2.85 -1.26 -4.78 118.16 111.30 1s20 n LYS 150 Ca 0.02 -3.14 -0.13 0.00 -1.05 0.00 0.00 58.31 54.02 1s20 n LYS 150 Cb 0.62 -1.24 -0.13 0.00 -0.65 0.00 0.00 35.03 33.63 1s20 n LYS 150 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1s20 s GLU 151 N -2.52 0.19 -0.09 -1.58 2.12 -1.26 -4.97 118.70 110.59 1s20 s GLU 151 Ca 0.35 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.91 1s20 s GLU 151 Cb 0.37 -0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.57 1s20 s GLU 151 CO -0.07 -0.17 1.87 0.00 -0.54 0.00 0.00 175.26 176.35 1s20 n ARG 153 N 7.71 0.05 -4.23 0.00 5.12 -1.26 -4.77 116.66 119.27 1s20 n ARG 153 Ca 0.21 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.90 1s20 n ARG 153 Cb 0.43 -0.46 -0.11 0.00 -1.16 0.00 0.00 32.46 31.15 1s20 n ARG 153 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1s20 s ILE 154 N -0.02 1.31 0.64 0.55 -4.36 -1.26 -4.80 121.20 113.25 1s20 s ILE 154 Ca 0.00 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1s20 s ILE 154 Cb 0.00 -1.47 0.08 0.00 1.25 0.00 0.00 42.46 42.32 1s20 s ILE 154 CO 0.00 -0.38 0.88 -0.83 0.24 0.00 0.00 174.94 174.86 1s20 s GLY 155 N -2.34 1.79 0.48 6.27 0.00 -1.26 -2.73 107.32 109.53 1s20 s GLY 155 Ca 0.07 -1.56 0.28 0.00 0.00 0.00 0.00 44.72 43.52 1s20 s GLY 155 CO 0.03 -1.13 1.81 -0.91 0.00 0.00 0.00 173.10 172.90 1s20 h THR 156 N -0.22 0.00 -3.02 0.90 1.35 -1.90 -3.47 112.91 106.56 1s20 h THR 156 Ca -0.39 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1s20 h THR 156 Cb 1.28 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1s20 h THR 156 CO 0.46 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.32 1s20 n ASN 157 N -3.02 0.00 -4.75 5.36 5.03 -1.26 -4.49 115.26 112.12 1s20 n ASN 157 Ca 0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.06 1s20 n ASN 157 Cb 0.40 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.15 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1s20 n PRO 158 N -0.23 2.67 -4.50 3.52 -0.02 -1.25 -4.77 135.00 130.43 1s20 n PRO 158 Ca 0.00 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 1s20 n PRO 158 Cb 0.00 -2.71 -0.13 0.00 -0.02 0.00 0.00 33.50 30.64 1s20 n PRO 158 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1s20 s LEU 159 N -0.94 3.10 -0.08 2.45 2.96 -1.26 -3.58 118.68 121.34 1s20 s LEU 159 Ca 0.61 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1s20 s LEU 159 Cb -0.49 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1s20 s LEU 159 CO 0.53 0.17 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.88 1s20 s ILE 160 N 0.37 2.33 -0.21 6.68 1.09 -0.05 -4.26 121.20 127.15 1s20 s ILE 160 Ca -0.06 -0.95 -0.04 0.00 -1.10 0.00 0.00 60.65 58.50 1s20 s ILE 160 Cb -0.15 -1.89 0.07 0.00 -1.06 0.00 0.00 42.46 39.44 1s20 s ILE 160 CO 0.04 0.56 0.09 -0.69 -0.10 0.00 0.00 174.94 174.84 1s20 s VAL 161 N -0.02 0.09 -0.08 2.92 1.01 -0.61 -2.16 120.40 121.55 1s20 s VAL 161 Ca -0.07 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1s20 s VAL 161 Cb -0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1s20 s VAL 161 CO 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 175.10 174.63 1s20 s ALA 162 N 2.05 2.63 -0.11 5.51 0.00 0.89 -1.09 121.76 131.63 1s20 s ALA 162 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1s20 s ALA 162 Cb -0.16 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1s20 s ALA 162 CO -0.15 0.43 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1s20 s ILE 163 N -0.29 3.20 0.00 0.00 -1.09 0.20 -0.97 121.20 122.25 1s20 s ILE 163 Ca 0.02 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1s20 s ILE 163 Cb -0.13 -2.33 -0.08 0.00 -1.58 0.00 0.00 42.46 38.34 1s20 s ILE 163 CO 0.03 0.54 1.56 -0.81 -1.23 0.00 0.00 174.94 175.03 1s20 n PRO 164 N 3.17 0.75 -2.55 2.79 -0.04 -1.26 -2.43 135.00 135.42 1s20 n PRO 164 Ca -0.18 -0.29 -0.23 0.00 -0.04 0.00 0.00 63.50 62.75 1s20 n PRO 164 Cb 0.53 -1.57 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s20 s SER 165 N 2.36 4.52 -0.27 3.54 1.04 -1.26 -4.93 113.70 118.69 1s20 s SER 165 Ca 0.20 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1s20 s SER 165 Cb 0.09 -0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.03 1s20 s SER 165 CO 0.00 -1.73 -0.04 -0.89 0.98 0.00 0.00 173.24 171.55 1s20 s THR 166 N -3.10 1.90 0.89 2.02 2.01 -1.26 -1.70 115.64 116.40 1s20 s THR 166 Ca 0.64 -1.65 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1s20 s THR 166 Cb -0.07 -2.18 0.13 0.00 0.01 0.00 0.00 72.50 70.39 1s20 s THR 166 CO 0.43 -0.23 1.15 -2.16 -0.69 0.00 0.00 174.62 173.13 1s20 s PRO 167 N 1.18 1.28 0.22 4.92 0.04 -1.26 -5.04 135.00 136.34 1s20 s PRO 167 Ca -0.02 0.24 -0.32 0.00 0.04 0.00 0.00 61.00 60.94 1s20 s PRO 167 Cb -0.19 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1s20 s PRO 167 CO -0.07 -2.09 1.62 -0.89 0.04 0.00 0.00 177.00 175.61 1s20 n ILE 168 N -3.68 0.34 -4.05 0.56 5.41 -0.69 -5.00 119.36 112.25 1s20 n ILE 168 Ca 0.07 -0.08 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 1s20 n ILE 168 Cb 0.60 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.66 1s20 n ILE 168 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1s20 s THR 169 N 0.70 4.78 -0.16 1.39 2.01 -1.02 -4.19 115.64 119.14 1s20 s THR 169 Ca 0.73 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 1s20 s THR 169 Cb -0.57 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1s20 s THR 169 CO 0.39 0.25 0.43 0.68 -0.69 0.00 0.00 174.62 175.69 1s20 s VAL 171 N -1.30 -0.00 -0.02 3.82 -7.23 -0.25 0.61 120.40 116.04 1s20 s VAL 171 Ca 0.27 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1s20 s VAL 171 Cb -0.12 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1s20 s VAL 171 CO 0.18 0.01 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.34 1s20 s ASP 172 N 0.43 0.45 0.00 4.85 -1.08 -1.26 -1.58 116.67 118.48 1s20 s ASP 172 Ca -0.02 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.96 1s20 s ASP 172 Cb -0.04 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.27 1s20 s ASP 172 CO -0.02 -0.02 0.00 -1.54 0.52 0.00 0.00 175.17 174.11 1s20 n SER 174 N 3.55 0.00 0.00 -0.34 3.41 -1.26 -4.98 113.62 114.00 1s20 n SER 174 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1s20 n SER 174 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s20 n SER 176 N 0.00 0.00 -3.85 4.04 3.41 -1.26 -4.95 113.62 111.01 1s20 n SER 176 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1s20 n SER 176 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1s20 n SER 176 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s20 n PHE 178 N 4.61 -3.28 -3.41 7.33 3.01 -1.26 -4.98 117.46 119.48 1s20 n PHE 178 Ca 0.00 0.29 -0.32 0.00 1.01 0.00 0.00 57.45 58.43 1s20 n PHE 178 Cb 0.00 -1.49 -0.05 0.00 -0.01 0.00 0.00 39.48 37.93 1s20 n PHE 178 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s20 s SER 179 N -0.92 6.66 0.38 4.37 1.04 -1.26 -4.95 113.70 119.02 1s20 s SER 179 Ca 0.48 0.95 0.15 0.00 0.48 0.00 0.00 55.95 58.00 1s20 s SER 179 Cb -0.38 -2.24 0.99 0.00 0.10 0.00 0.00 66.02 64.50 1s20 s SER 179 CO 0.65 -0.04 1.82 1.88 0.98 0.00 0.00 173.24 178.53 1s20 h TYR 180 N 2.72 0.71 0.00 5.02 -1.99 -2.00 -1.72 116.97 119.70 1s20 h TYR 180 Ca -0.47 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1s20 h TYR 180 Cb 1.17 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.69 1s20 h TYR 180 CO 0.62 0.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.35 1s20 n GLY 181 N -1.46 0.02 2.95 3.88 0.00 -1.26 -2.07 105.19 107.25 1s20 n GLY 181 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1s20 n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s20 n LEU 183 N 0.87 0.00 -0.26 0.99 4.77 -0.65 -1.70 117.00 121.02 1s20 n LEU 183 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1s20 n LEU 183 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1s20 n LEU 183 CO 0.00 0.00 1.14 -0.08 -1.33 0.00 0.00 177.39 177.12 1s20 h GLU 184 N 0.00 0.97 -0.74 3.23 4.81 -1.70 -1.23 114.58 119.91 1s20 h GLU 184 Ca 0.00 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1s20 h GLU 184 Cb 0.00 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.11 1s20 h GLU 184 CO 0.00 0.68 0.40 0.28 -0.73 0.00 0.00 179.01 179.64 1s20 h VAL 185 N 0.98 0.89 -0.20 0.32 2.07 -1.61 0.77 116.25 119.46 1s20 h VAL 185 Ca 0.26 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 1s20 h VAL 185 Cb -0.04 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1s20 h VAL 185 CO -0.05 0.12 -0.46 0.78 0.02 0.00 0.00 177.57 177.99 1s20 h ASN 186 N 0.68 0.55 0.18 0.57 2.35 -1.71 -2.50 115.58 115.70 1s20 h ASN 186 Ca 0.36 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1s20 h ASN 186 Cb 0.34 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1s20 h ASN 186 CO -0.25 0.93 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.29 1s20 h ARG 187 N 0.41 -0.23 0.00 0.81 2.43 -0.22 -0.85 114.38 116.73 1s20 h ARG 187 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1s20 h ARG 187 Cb 0.96 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1s20 h ARG 187 CO 0.09 0.09 0.00 -0.07 -1.51 0.00 0.00 179.97 178.57 1s20 h LEU 188 N -0.57 0.00 -2.19 3.80 3.38 -0.92 0.30 115.31 119.11 1s20 h LEU 188 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s20 h LEU 188 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1s20 h LEU 188 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1s20 n ALA 189 N -1.84 2.43 -1.70 1.53 0.00 -0.94 -4.95 120.51 115.04 1s20 n ALA 189 Ca -0.01 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 1s20 n ALA 189 Cb 0.11 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1s20 n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s20 n GLY 190 N 1.47 1.18 3.66 0.00 0.00 0.11 -4.96 105.19 106.65 1s20 n GLY 190 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1s20 n GLY 190 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s20 s ARG 191 N -3.80 2.38 0.58 1.61 1.70 -0.38 -5.03 118.95 116.02 1s20 s ARG 191 Ca 0.00 -1.24 -0.04 0.00 -0.47 0.00 0.00 55.73 53.98 1s20 s ARG 191 Cb 0.00 -2.28 0.02 0.00 -0.57 0.00 0.00 34.95 32.12 1s20 s ARG 191 CO 0.00 0.41 0.86 -1.14 -1.08 0.00 0.00 175.30 174.35 1s20 s GLN 192 N -3.32 2.74 0.34 3.89 2.00 -1.26 -4.32 119.66 119.72 1s20 s GLN 192 Ca 0.29 -0.28 -0.27 0.00 -2.00 0.00 0.00 55.36 53.11 1s20 s GLN 192 Cb -0.08 -2.34 -0.09 0.00 0.80 0.00 0.00 33.01 31.30 1s20 s GLN 192 CO 0.19 -0.73 1.05 -0.51 -0.50 0.00 0.00 175.29 174.80 1s20 s LEU 193 N -4.92 4.35 0.58 3.68 1.43 0.21 -4.93 118.68 119.07 1s20 s LEU 193 Ca 0.55 2.11 0.34 0.00 -1.03 0.00 0.00 54.13 56.10 1s20 s LEU 193 Cb -0.10 -3.92 1.79 0.00 0.03 0.00 0.00 46.19 43.99 1s20 s LEU 193 CO 0.42 -0.29 2.18 1.55 0.23 0.00 0.00 176.35 180.44 1s20 h PRO 194 N 3.16 0.00 -4.12 1.29 0.13 -1.97 -3.44 132.00 127.04 1s20 h PRO 194 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1s20 h PRO 194 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1s20 h PRO 194 CO 0.65 0.05 -0.32 0.14 -0.23 0.00 0.00 178.00 178.28 1s20 s VAL 195 N -4.16 0.00 0.24 1.56 -7.23 -1.26 -5.13 120.40 104.43 1s20 s VAL 195 Ca -0.03 -1.68 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 1s20 s VAL 195 Cb 0.13 -2.40 -0.13 0.00 0.56 0.00 0.00 36.38 34.53 1s20 s VAL 195 CO 0.52 0.00 1.45 0.47 -0.31 0.00 0.00 175.10 177.23 1s20 n ASP 196 N -0.58 2.94 -0.05 4.85 10.43 -1.26 -4.73 116.55 128.15 1s20 n ASP 196 Ca 0.01 1.14 0.02 0.00 2.57 0.00 0.00 54.79 58.52 1s20 n ASP 196 Cb 0.63 -1.45 0.02 0.00 1.84 0.00 0.00 41.12 42.16 1s20 n ASP 196 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s20 n GLY 197 N 2.23 1.56 0.00 0.44 0.00 -0.66 -4.92 105.19 103.84 1s20 n GLY 197 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s20 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s20 n GLY 198 N -0.49 -0.70 3.74 -0.02 0.00 -1.24 -2.18 105.19 104.30 1s20 n GLY 198 Ca 0.03 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1s20 n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s20 s PHE 199 N -2.24 3.07 0.22 1.61 0.40 -0.88 -0.26 117.98 119.90 1s20 s PHE 199 Ca 0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1s20 s PHE 199 Cb 0.00 -1.54 0.05 0.00 0.51 0.00 0.00 43.02 42.04 1s20 s PHE 199 CO 0.00 0.51 0.30 -0.40 0.70 0.00 0.00 175.22 176.32 1s20 n ASP 200 N 0.24 0.20 0.00 1.36 3.85 0.37 -4.57 116.55 118.00 1s20 n ASP 200 Ca -0.09 -1.22 0.09 0.00 -0.71 0.00 0.00 54.79 52.86 1s20 n ASP 200 Cb 0.53 -0.21 0.45 0.00 -1.35 0.00 0.00 41.12 40.54 1s20 n ASP 200 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1s20 n ASP 201 N -3.09 0.00 -0.22 -1.12 8.00 -1.26 -1.95 116.55 116.91 1s20 n ASP 201 Ca 0.04 0.23 0.11 0.00 0.71 0.00 0.00 54.79 55.88 1s20 n ASP 201 Cb 0.15 -0.38 0.09 0.00 -0.02 0.00 0.00 41.12 40.96 1s20 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s20 n GLU 202 N -1.38 0.60 -0.70 -1.24 4.71 -1.26 -4.97 120.64 116.40 1s20 n GLU 202 Ca 0.07 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 1s20 n GLU 202 Cb 0.18 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1s20 n GLU 202 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s20 n GLY 203 N 1.44 0.67 3.45 0.62 0.00 -0.82 -5.07 105.19 105.47 1s20 n GLY 203 Ca 0.08 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1s20 n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s20 s ASN 204 N -2.62 3.74 0.34 1.61 0.01 -1.26 -4.84 114.94 111.93 1s20 s ASN 204 Ca 0.00 -0.47 -0.27 0.00 -0.71 0.00 0.00 52.86 51.40 1s20 s ASN 204 Cb 0.00 -0.56 -0.12 0.00 0.41 0.00 0.00 41.25 40.98 1s20 s ASN 204 CO 0.00 0.24 1.17 0.18 -1.51 0.00 0.00 177.10 177.18 1s20 n LEU 205 N 1.43 2.98 -3.91 0.60 4.77 -1.26 -0.48 117.00 121.13 1s20 n LEU 205 Ca -0.16 1.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.90 1s20 n LEU 205 Cb 0.52 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.13 1s20 n LEU 205 CO 0.26 -0.89 -0.06 0.28 -1.33 0.00 0.00 177.39 175.66 1s20 s THR 206 N -1.12 0.10 -0.94 -5.08 -1.32 0.65 -4.77 115.64 103.16 1s20 s THR 206 Ca 0.58 -1.29 0.08 0.00 -1.21 0.00 0.00 61.69 59.85 1s20 s THR 206 Cb -0.60 -1.61 0.12 0.00 -1.51 0.00 0.00 72.50 68.90 1s20 s THR 206 CO 0.61 -0.46 0.90 0.29 -2.21 0.00 0.00 174.62 173.74 1s20 n LYS 207 N -0.14 1.01 -2.79 7.08 5.02 -1.26 -1.66 118.16 125.42 1s20 n LYS 207 Ca -0.11 -1.28 -0.43 0.00 -2.02 0.00 0.00 58.31 54.47 1s20 n LYS 207 Cb 0.63 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1s20 n LYS 207 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1s20 s GLU 208 N -0.79 3.56 0.11 1.97 -6.30 -1.26 -0.62 118.70 115.37 1s20 s GLU 208 Ca 0.12 0.22 -0.28 0.00 -2.50 0.00 0.00 54.97 52.53 1s20 s GLU 208 Cb 0.08 -3.92 -0.08 0.00 0.00 0.00 0.00 34.13 30.20 1s20 s GLU 208 CO 0.11 -1.24 1.62 -1.35 0.02 0.00 0.00 175.26 174.42 1s20 h PRO 209 N 9.09 -0.50 -0.50 4.30 0.11 -1.89 -3.30 132.00 139.31 1s20 h PRO 209 Ca -0.24 0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.95 1s20 h PRO 209 Cb 1.07 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1s20 h PRO 209 CO 1.04 -0.33 -0.30 0.41 -0.21 0.00 0.00 178.00 178.61 1s20 n GLY 210 N -1.41 -2.71 0.37 -0.55 0.00 -1.26 -1.25 105.19 98.38 1s20 n GLY 210 Ca -0.06 0.86 0.11 0.00 0.00 0.00 0.00 46.02 46.93 1s20 n GLY 210 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s20 h VAL 211 N 0.00 0.88 -0.35 1.61 3.04 -1.96 -1.76 116.25 117.70 1s20 h VAL 211 Ca 0.08 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 65.46 1s20 h VAL 211 Cb 0.21 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.58 1s20 h VAL 211 CO -0.47 0.13 -0.04 0.40 -1.01 0.00 0.00 177.57 176.58 1s20 h ILE 212 N 0.71 1.27 0.00 3.17 2.04 -1.25 -1.62 117.51 121.83 1s20 h ILE 212 Ca 0.42 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1s20 h ILE 212 Cb 0.62 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1s20 h ILE 212 CO -0.18 0.35 -0.00 -0.33 0.00 0.00 0.00 178.15 177.99 1s20 h GLU 213 N 0.45 0.00 0.00 2.37 5.08 -0.33 -0.30 114.58 121.86 1s20 h GLU 213 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1s20 h GLU 213 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1s20 h GLU 213 CO 0.03 0.00 -0.91 0.87 -1.00 0.00 0.00 179.01 178.00 1s20 h LYS 214 N 0.00 0.01 -0.00 2.33 1.57 -1.15 -3.37 116.57 115.96 1s20 h LYS 214 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s20 h LYS 214 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1s20 h LYS 214 CO 0.00 1.01 -0.02 0.27 -0.57 0.00 0.00 179.45 180.13 1s20 n ASN 215 N -4.46 0.03 -1.30 0.86 2.04 -0.65 -4.92 115.26 106.86 1s20 n ASN 215 Ca -0.26 0.36 -0.16 0.00 -0.44 0.00 0.00 54.58 54.08 1s20 n ASN 215 Cb 0.63 -0.43 -0.07 0.00 -2.53 0.00 0.00 39.78 37.38 1s20 n ASN 215 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1s20 n ARG 216 N -1.46 -1.53 -1.65 -3.83 5.12 -0.13 -4.87 116.66 108.32 1s20 n ARG 216 Ca 0.08 1.03 -0.35 0.00 -1.93 0.00 0.00 57.85 56.68 1s20 n ARG 216 Cb 0.32 -5.40 -0.03 0.00 -1.16 0.00 0.00 32.46 26.19 1s20 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s20 n ARG 217 N -1.73 3.80 -2.14 5.56 1.74 -1.25 -4.63 116.66 118.00 1s20 n ARG 217 Ca -0.16 -2.75 -0.42 0.00 -0.77 0.00 0.00 57.85 53.76 1s20 n ARG 217 Cb 0.61 -2.54 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 1s20 n ARG 217 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1s20 s ILE 218 N -0.28 3.13 0.10 0.55 2.07 -1.26 -2.07 121.20 123.44 1s20 s ILE 218 Ca 0.60 0.85 -0.31 0.00 -1.41 0.00 0.00 60.65 60.39 1s20 s ILE 218 Cb 0.23 -3.55 -0.07 0.00 0.13 0.00 0.00 42.46 39.21 1s20 s ILE 218 CO -0.10 0.09 1.23 -0.22 -1.91 0.00 0.00 174.94 174.03 1s20 s LEU 219 N 0.65 4.39 0.00 8.50 2.96 -0.93 -4.49 118.68 129.76 1s20 s LEU 219 Ca 0.63 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 1s20 s LEU 219 Cb -0.38 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.72 1s20 s LEU 219 CO 0.34 -0.48 0.00 -2.65 -1.32 0.00 0.00 176.35 172.24 1s20 n PRO 220 N 3.61 0.00 -0.01 0.98 -0.02 -1.26 -4.45 135.00 133.85 1s20 n PRO 220 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1s20 n PRO 220 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 1s20 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s20 n GLY 222 N 3.55 0.00 7.00 -1.23 0.00 -1.26 -4.81 105.19 108.44 1s20 n GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 222 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s20 n TYR 223 N 0.00 0.00 0.25 1.61 4.01 -1.26 -2.03 117.16 119.74 1s20 n TYR 223 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1s20 n TYR 223 Cb 0.00 0.00 0.55 0.00 -0.31 0.00 0.00 39.34 39.58 1s20 n TYR 223 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1s20 h TRP 224 N 0.00 0.00 0.24 -0.72 0.09 -1.97 -2.96 115.95 110.63 1s20 h TRP 224 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 1s20 h TRP 224 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1s20 h TRP 224 CO 0.00 0.10 -0.12 0.87 0.09 0.00 0.00 178.44 179.38 1s20 h LYS 225 N 0.00 -0.31 -0.18 0.12 1.57 -1.80 -0.84 116.57 115.14 1s20 h LYS 225 Ca -0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1s20 h LYS 225 Cb 0.65 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1s20 h LYS 225 CO 0.01 0.04 0.00 0.78 -0.57 0.00 0.00 179.45 179.72 1s20 h GLY 226 N -0.74 0.27 0.70 3.86 0.00 -1.71 -2.61 103.07 102.84 1s20 h GLY 226 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1s20 h GLY 226 CO 0.05 0.12 -0.06 0.23 0.00 0.00 0.00 176.54 176.89 1s20 h SER 227 N 0.25 -0.13 0.00 0.19 0.87 -1.47 -1.96 113.55 111.30 1s20 h SER 227 Ca 0.06 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1s20 h SER 227 Cb 0.17 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1s20 h SER 227 CO 0.00 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.09 1s20 n GLY 228 N -0.35 0.45 2.18 5.77 0.00 -0.33 -2.53 105.19 110.39 1s20 n GLY 228 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1s20 n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s20 n SER 230 N 0.95 0.00 -0.06 1.61 2.88 -0.74 -2.17 113.62 116.09 1s20 n SER 230 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1s20 n SER 230 Cb 0.11 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 1s20 n SER 230 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1s20 h ILE 231 N 0.00 1.22 -0.12 2.46 2.04 -1.77 -1.12 117.51 120.22 1s20 h ILE 231 Ca 0.00 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 1s20 h ILE 231 Cb 0.00 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1s20 h ILE 231 CO 0.00 0.22 -0.38 -0.37 0.00 0.00 0.00 178.15 177.62 1s20 h VAL 232 N 0.12 1.30 -0.28 1.67 -1.51 -1.73 -2.69 116.25 113.11 1s20 h VAL 232 Ca 0.06 -1.45 -0.15 0.00 -1.23 0.00 0.00 66.70 63.93 1s20 h VAL 232 Cb 0.30 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1s20 h VAL 232 CO 0.00 0.44 -0.43 -0.07 -1.23 0.00 0.00 177.57 176.27 1s20 h LEU 233 N 0.22 0.76 -1.73 4.19 3.38 -1.81 -1.95 115.31 118.36 1s20 h LEU 233 Ca 0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1s20 h LEU 233 Cb 0.77 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1s20 h LEU 233 CO 0.06 1.09 0.00 -0.67 0.09 0.00 0.00 178.44 179.01 1s20 n ASP 234 N -4.02 0.51 0.00 -0.43 2.03 -0.43 -1.40 116.55 112.81 1s20 n ASP 234 Ca -0.02 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1s20 n ASP 234 Cb 0.55 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1s20 n ASP 234 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s20 n ILE 236 N 0.76 0.00 -0.37 5.18 5.41 -0.73 -1.39 119.36 128.22 1s20 n ILE 236 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1s20 n ILE 236 Cb 0.09 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.13 1s20 n ILE 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s20 h ALA 237 N 0.00 1.25 -0.31 -1.39 0.00 -1.50 -0.88 119.26 116.43 1s20 h ALA 237 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1s20 h ALA 237 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1s20 h ALA 237 CO 0.00 0.65 -0.30 1.15 0.00 0.00 0.00 179.25 180.75 1s20 h THR 238 N 1.34 1.29 0.41 0.00 2.02 -1.48 -3.13 112.91 113.37 1s20 h THR 238 Ca 0.36 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1s20 h THR 238 Cb -0.15 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1s20 h THR 238 CO -0.08 0.47 -0.19 -0.07 0.37 0.00 0.00 175.52 176.02 1s20 h LEU 239 N 0.52 -0.46 -1.95 2.58 3.38 -1.72 0.18 115.31 117.84 1s20 h LEU 239 Ca 0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1s20 h LEU 239 Cb 0.87 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1s20 h LEU 239 CO 0.08 -0.04 0.12 -0.07 0.09 0.00 0.00 178.44 178.61 1s20 h LEU 240 N -1.00 0.06 -0.83 1.67 3.38 -1.32 -1.41 115.31 115.85 1s20 h LEU 240 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s20 h LEU 240 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1s20 h LEU 240 CO 0.09 0.04 -0.53 -1.54 0.09 0.00 0.00 178.44 176.59 1s20 n SER 241 N -4.50 1.81 -3.93 -0.43 3.41 -1.18 -4.76 113.62 104.04 1s20 n SER 241 Ca 0.01 -1.40 -0.29 0.00 -0.26 0.00 0.00 58.87 56.92 1s20 n SER 241 Cb 0.20 0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1s20 n SER 241 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s20 n ASP 242 N -0.26 -1.73 0.00 4.04 4.64 0.47 -4.56 116.55 119.15 1s20 n ASP 242 Ca 0.08 -1.06 0.00 0.00 -1.38 0.00 0.00 54.79 52.43 1s20 n ASP 242 Cb 0.43 -2.90 0.00 0.00 -1.04 0.00 0.00 41.12 37.60 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s20 n GLY 243 N -1.97 5.97 3.81 0.27 0.00 -0.26 -5.00 105.19 108.02 1s20 n GLY 243 Ca -0.24 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1s20 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 244 N -2.00 3.56 0.63 4.61 0.00 -1.26 -4.82 121.76 122.48 1s20 s ALA 244 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1s20 s ALA 244 Cb 0.00 -2.66 0.10 0.00 0.00 0.00 0.00 23.12 20.56 1s20 s ALA 244 CO 0.00 0.39 0.73 -1.13 0.00 0.00 0.00 175.76 175.76 1s20 n SER 245 N 1.52 1.08 -0.07 0.00 3.41 -1.26 -4.15 113.62 114.15 1s20 n SER 245 Ca -0.09 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1s20 n SER 245 Cb 0.51 -0.47 0.29 0.00 -0.26 0.00 0.00 64.21 64.28 1s20 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1s20 h VAL 246 N -0.48 1.18 -0.12 -3.33 2.07 -1.90 -2.26 116.25 111.42 1s20 h VAL 246 Ca -0.24 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1s20 h VAL 246 Cb 0.92 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1s20 h VAL 246 CO 0.27 0.23 0.01 0.00 0.02 0.00 0.00 177.57 178.10 1s20 h ALA 247 N 1.52 0.16 -0.37 1.67 0.00 -1.88 -2.19 119.26 118.17 1s20 h ALA 247 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s20 h ALA 247 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s20 h ALA 247 CO -0.01 -0.17 0.21 1.49 0.00 0.00 0.00 179.25 180.77 1s20 h GLU 248 N -0.05 0.50 -0.39 0.00 4.81 -1.87 -1.07 114.58 116.52 1s20 h GLU 248 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1s20 h GLU 248 Cb 0.33 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1s20 h GLU 248 CO 0.00 0.40 0.13 0.28 -0.73 0.00 0.00 179.01 179.09 1s20 h VAL 249 N 0.47 1.21 -0.26 0.32 2.07 -1.43 0.21 116.25 118.83 1s20 h VAL 249 Ca 0.13 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1s20 h VAL 249 Cb 0.03 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1s20 h VAL 249 CO -0.02 0.24 -0.23 0.74 0.02 0.00 0.00 177.57 178.31 1s20 h THR 250 N 0.48 1.26 0.00 2.57 2.02 -1.25 -2.28 112.91 115.72 1s20 h THR 250 Ca 0.13 -1.24 -0.34 0.00 0.77 0.00 0.00 66.41 65.73 1s20 h THR 250 Cb 0.24 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 1s20 h THR 250 CO -0.01 0.39 -2.32 0.00 0.37 0.00 0.00 175.52 173.96 1s20 n GLN 251 N -4.13 0.68 0.01 6.66 6.02 -0.42 -4.57 117.38 121.63 1s20 n GLN 251 Ca -0.00 -0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1s20 n GLN 251 Cb 0.39 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 1s20 n GLN 251 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s20 n ASP 252 N -2.74 0.16 -4.72 1.08 9.92 0.71 -4.96 116.55 116.00 1s20 n ASP 252 Ca -0.30 0.06 -0.32 0.00 -0.53 0.00 0.00 54.79 53.70 1s20 n ASP 252 Cb 1.12 1.70 -0.08 0.00 -0.64 0.00 0.00 41.12 43.22 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1s20 s ASN 253 N -4.68 5.30 0.36 -2.24 0.01 -0.86 -5.00 114.94 107.83 1s20 s ASN 253 Ca -0.07 -0.00 0.27 0.00 -0.71 0.00 0.00 52.86 52.35 1s20 s ASN 253 Cb 0.13 -1.40 1.09 0.00 0.41 0.00 0.00 41.25 41.48 1s20 s ASN 253 CO 0.89 0.24 1.81 0.77 -1.51 0.00 0.00 177.10 179.30 1s20 h SER 254 N 3.96 0.00 -5.02 -1.22 4.64 -1.92 -3.44 113.55 110.54 1s20 h SER 254 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s20 h SER 254 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1s20 h SER 254 CO 0.60 0.00 0.28 -0.62 -0.87 0.00 0.00 176.83 176.23 1s20 s ASP 255 N -4.81 -0.03 -0.65 4.97 -1.08 -1.26 -5.09 116.67 108.72 1s20 s ASP 255 Ca 0.04 -1.06 -0.26 0.00 -0.52 0.00 0.00 52.55 50.74 1s20 s ASP 255 Cb 0.09 0.82 -0.02 0.00 -1.46 0.00 0.00 42.92 42.35 1s20 s ASP 255 CO 0.46 -1.62 1.84 -0.70 0.52 0.00 0.00 175.17 175.67 1s20 s GLU 256 N -2.49 2.65 0.03 4.34 2.12 -1.26 -4.87 118.70 119.22 1s20 s GLU 256 Ca 0.15 0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.66 1s20 s GLU 256 Cb -0.05 -4.46 0.10 0.00 0.26 0.00 0.00 34.13 29.98 1s20 s GLU 256 CO 0.11 -2.77 0.89 1.52 -0.54 0.00 0.00 175.26 174.46 1s20 s TYR 257 N 9.00 -0.32 -0.16 5.30 1.13 -1.26 -4.65 117.35 126.39 1s20 s TYR 257 Ca 0.66 0.15 0.00 0.00 -1.41 0.00 0.00 57.07 56.47 1s20 s TYR 257 Cb -0.12 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1s20 s TYR 257 CO 0.18 -0.60 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 1s20 n GLY 258 N -0.28 0.50 3.72 5.49 0.00 0.92 -4.90 105.19 110.63 1s20 n GLY 258 Ca -0.09 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1s20 n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s20 s ILE 259 N -2.05 1.88 -0.06 -0.61 -4.36 -0.20 -3.67 121.20 112.12 1s20 s ILE 259 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.44 1s20 s ILE 259 Cb 0.00 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1s20 s ILE 259 CO 0.00 0.00 -0.22 -0.44 0.24 0.00 0.00 174.94 174.52 1s20 s SER 260 N -3.97 3.34 0.06 4.36 0.01 -1.26 -0.68 113.70 115.56 1s20 s SER 260 Ca 0.68 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.55 1s20 s SER 260 Cb -0.13 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 1s20 s SER 260 CO 0.55 0.26 -0.14 -1.10 0.41 0.00 0.00 173.24 173.22 1s20 s GLN 261 N -0.24 0.85 -0.05 12.44 -0.21 -0.61 -1.85 119.66 129.99 1s20 s GLN 261 Ca -0.01 -0.86 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1s20 s GLN 261 Cb -0.13 -0.85 -0.01 0.00 1.00 0.00 0.00 33.01 33.01 1s20 s GLN 261 CO 0.03 0.20 -0.25 0.42 -2.12 0.00 0.00 175.29 173.57 1s20 s ILE 262 N -1.10 2.00 -0.10 1.08 -1.09 0.53 -1.38 121.20 121.14 1s20 s ILE 262 Ca -0.01 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.38 1s20 s ILE 262 Cb -0.09 -1.69 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1s20 s ILE 262 CO 0.02 0.56 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.79 1s20 s PHE 263 N -0.24 1.75 -0.02 3.97 0.08 -0.13 -2.04 117.98 121.35 1s20 s PHE 263 Ca -0.01 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.29 1s20 s PHE 263 Cb -0.13 -1.29 -0.00 0.00 -0.57 0.00 0.00 43.02 41.03 1s20 s PHE 263 CO 0.03 -0.42 -0.11 0.42 -0.10 0.00 0.00 175.22 175.04 1s20 s ILE 264 N 0.98 0.92 -0.02 0.64 1.01 0.20 -0.17 121.20 124.75 1s20 s ILE 264 Ca -0.08 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1s20 s ILE 264 Cb -0.15 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1s20 s ILE 264 CO -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 174.94 175.13 1s20 s ALA 265 N 0.01 0.74 -0.07 9.38 0.00 -0.30 -0.93 121.76 130.59 1s20 s ALA 265 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1s20 s ALA 265 Cb -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1s20 s ALA 265 CO 0.00 0.11 -0.13 0.42 0.00 0.00 0.00 175.76 176.16 1s20 s ILE 266 N 0.25 1.25 0.50 0.00 1.01 -0.41 -0.41 121.20 123.39 1s20 s ILE 266 Ca -0.04 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 1s20 s ILE 266 Cb -0.08 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.18 1s20 s ILE 266 CO 0.00 0.38 1.14 -0.70 0.00 0.00 0.00 174.94 175.76 1s20 s GLU 267 N 0.71 3.57 0.05 2.79 2.12 0.02 -0.56 118.70 127.40 1s20 s GLU 267 Ca -0.13 1.66 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1s20 s GLU 267 Cb -0.16 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.04 1s20 s GLU 267 CO 0.03 -0.68 0.00 0.28 -0.54 0.00 0.00 175.26 174.35 1s20 n VAL 268 N -0.92 0.41 0.00 3.70 0.31 -1.26 -4.81 118.33 115.77 1s20 n VAL 268 Ca 0.10 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1s20 n VAL 268 Cb 0.50 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1s20 n VAL 268 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1s20 n ASP 269 N -3.15 0.00 -0.87 4.52 8.00 -1.26 -0.59 116.55 123.20 1s20 n ASP 269 Ca 0.00 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.86 1s20 n ASP 269 Cb 0.25 -0.26 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1s20 n ASP 269 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s20 n LYS 270 N -1.22 2.00 0.00 -1.24 5.02 -1.26 -4.32 118.16 117.13 1s20 n LYS 270 Ca 0.00 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 1s20 n LYS 270 Cb 0.11 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1s20 n LYS 270 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s20 n LEU 271 N 1.14 0.13 -3.64 -0.35 4.77 0.24 -5.02 117.00 114.28 1s20 n LEU 271 Ca 0.14 -0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 1s20 n LEU 271 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1s20 n LEU 271 CO 0.13 0.03 0.42 -0.51 -1.33 0.00 0.00 177.39 176.13 1s20 s ILE 272 N -0.92 0.00 0.84 -0.08 2.07 -1.15 -5.15 121.20 116.81 1s20 s ILE 272 Ca 0.00 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 1s20 s ILE 272 Cb 0.00 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.69 1s20 s ILE 272 CO 0.01 0.00 1.11 1.51 -1.91 0.00 0.00 174.94 175.66 1s20 s ASP 273 N 1.25 3.76 0.10 4.50 1.47 -1.26 -4.41 116.67 122.09 1s20 s ASP 273 Ca -0.07 1.88 -0.25 0.00 1.18 0.00 0.00 52.55 55.30 1s20 s ASP 273 Cb -0.05 -2.48 -0.12 0.00 -0.34 0.00 0.00 42.92 39.92 1s20 s ASP 273 CO -0.14 -2.52 1.70 1.23 0.68 0.00 0.00 175.17 176.12 1s20 h GLY 274 N -1.46 -0.20 0.45 2.12 0.00 -1.98 -1.09 103.07 100.91 1s20 h GLY 274 Ca -0.45 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.10 1s20 h GLY 274 CO 0.49 -0.11 0.40 -2.55 0.00 0.00 0.00 176.54 174.77 1s20 h PRO 275 N -0.23 0.64 -0.51 4.80 0.11 -2.00 -0.78 132.00 134.04 1s20 h PRO 275 Ca 0.01 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 1s20 h PRO 275 Cb 0.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1s20 h PRO 275 CO -0.03 0.42 -0.17 1.15 -0.21 0.00 0.00 178.00 179.16 1s20 h THR 276 N 0.66 1.27 0.51 -1.15 2.02 -1.91 -1.81 112.91 112.50 1s20 h THR 276 Ca 0.38 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1s20 h THR 276 Cb 0.40 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1s20 h THR 276 CO -0.28 0.47 -0.26 -0.09 0.37 0.00 0.00 175.52 175.73 1s20 h ARG 277 N 0.88 -0.68 -0.79 6.66 2.43 -0.45 0.17 114.38 122.59 1s20 h ARG 277 Ca 0.12 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1s20 h ARG 277 Cb 0.75 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1s20 h ARG 277 CO 0.06 -0.46 0.50 -0.44 -1.51 0.00 0.00 179.97 178.12 1s20 h ASP 278 N -0.71 0.93 0.60 -3.80 3.32 -1.17 0.08 116.42 115.68 1s20 h ASP 278 Ca -0.07 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1s20 h ASP 278 Cb 0.55 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1s20 h ASP 278 CO 0.10 0.70 -0.29 0.00 -1.72 0.00 0.00 179.24 178.03 1s20 h ALA 279 N 1.27 -0.81 -0.47 3.45 0.00 -1.14 0.14 119.26 121.70 1s20 h ALA 279 Ca 0.29 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1s20 h ALA 279 Cb -0.08 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1s20 h ALA 279 CO -0.06 -0.89 0.21 0.87 0.00 0.00 0.00 179.25 179.38 1s20 h LYS 280 N -0.92 0.41 -0.46 0.00 1.57 -0.53 0.10 116.57 116.74 1s20 h LYS 280 Ca -0.08 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1s20 h LYS 280 Cb 0.66 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1s20 h LYS 280 CO 0.14 0.27 0.05 -0.07 -0.57 0.00 0.00 179.45 179.27 1s20 h LEU 281 N 0.42 0.67 -0.79 2.94 3.38 -0.97 -1.83 115.31 119.14 1s20 h LEU 281 Ca 0.21 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1s20 h LEU 281 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1s20 h LEU 281 CO -0.17 0.71 -0.16 -0.61 0.09 0.00 0.00 178.44 178.30 1s20 h GLN 282 N 0.68 0.74 -0.40 1.13 5.75 -0.03 -2.58 115.11 120.40 1s20 h GLN 282 Ca 0.15 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.29 1s20 h GLN 282 Cb 0.35 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1s20 h GLN 282 CO 0.01 0.86 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.83 1s20 h ARG 283 N 0.66 0.72 -0.22 1.69 2.43 -0.30 -1.06 114.38 118.30 1s20 h ARG 283 Ca 0.10 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1s20 h ARG 283 Cb 0.64 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1s20 h ARG 283 CO 0.04 0.81 0.00 -0.89 -1.51 0.00 0.00 179.97 178.43 1s20 n ILE 284 N -4.17 0.00 0.00 1.20 5.41 -0.74 -1.92 119.36 119.14 1s20 n ILE 284 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1s20 n ILE 284 Cb 0.36 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 1s20 n ILE 284 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s20 n ASP 286 N 0.28 0.00 0.14 4.38 8.00 -0.40 -2.92 116.55 126.03 1s20 n ASP 286 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1s20 n ASP 286 Cb 0.06 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.49 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s20 h TYR 287 N 0.00 0.16 0.01 1.24 -0.00 -1.63 -1.18 116.97 115.57 1s20 h TYR 287 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.70 1s20 h TYR 287 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 36.69 1s20 h TYR 287 CO 0.00 0.44 -0.00 0.28 -0.00 0.00 0.00 178.16 178.88 1s20 h VAL 288 N 0.13 1.45 -0.49 1.81 2.07 -1.81 -3.30 116.25 116.11 1s20 h VAL 288 Ca 0.02 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 1s20 h VAL 288 Cb 0.61 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1s20 h VAL 288 CO 0.04 0.48 0.30 0.71 0.02 0.00 0.00 177.57 179.12 1s20 h THR 289 N -0.97 1.14 -0.26 2.57 1.35 -1.79 -2.25 112.91 112.70 1s20 h THR 289 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1s20 h THR 289 Cb 0.79 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1s20 h THR 289 CO 0.00 0.14 0.00 -1.54 -0.25 0.00 0.00 175.52 173.88 1s20 n SER 290 N -4.44 1.58 -4.76 5.36 3.41 -0.45 -4.63 113.62 109.69 1s20 n SER 290 Ca 0.04 -1.91 -0.38 0.00 -0.26 0.00 0.00 58.87 56.37 1s20 n SER 290 Cb 0.07 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 1s20 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s20 s ALA 291 N -1.65 2.87 0.02 7.33 0.00 -0.85 -4.92 121.76 124.57 1s20 s ALA 291 Ca 0.23 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1s20 s ALA 291 Cb 0.12 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1s20 s ALA 291 CO 0.17 -1.01 1.78 -2.00 0.00 0.00 0.00 175.76 174.70 1s20 s GLU 292 N -2.84 4.17 0.57 0.00 2.12 -1.26 -4.95 118.70 116.51 1s20 s GLU 292 Ca 0.68 2.41 -0.16 0.00 0.36 0.00 0.00 54.97 58.27 1s20 s GLU 292 Cb -0.34 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 1s20 s GLU 292 CO 0.40 -0.86 1.03 1.03 -0.54 0.00 0.00 175.26 176.33 1s20 s ARG 293 N 3.74 3.51 0.04 4.30 0.52 -1.26 -4.97 118.95 124.84 1s20 s ARG 293 Ca 0.80 1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 57.07 1s20 s ARG 293 Cb -0.39 -2.07 -0.28 0.00 0.52 0.00 0.00 34.95 32.73 1s20 s ARG 293 CO 0.35 -0.64 1.01 0.00 0.02 0.00 0.00 175.30 176.04 1s20 h ALA 294 N 0.50 0.20 -3.72 2.13 0.00 -1.92 -3.41 119.26 113.03 1s20 h ALA 294 Ca -0.47 -1.00 -0.65 0.00 0.00 0.00 0.00 54.91 52.80 1s20 h ALA 294 Cb 1.21 0.13 -0.38 0.00 0.00 0.00 0.00 17.79 18.74 1s20 h ALA 294 CO 0.59 1.07 -0.78 0.34 0.00 0.00 0.00 179.25 180.48 1s20 s ASP 295 N -7.03 4.33 0.47 0.00 -1.08 -1.26 -5.02 116.67 107.09 1s20 s ASP 295 Ca -0.06 -1.52 0.35 0.00 -0.52 0.00 0.00 52.55 50.80 1s20 s ASP 295 Cb 0.07 -1.43 1.49 0.00 -1.46 0.00 0.00 42.92 41.59 1s20 s ASP 295 CO 0.87 -0.26 1.64 1.05 0.52 0.00 0.00 175.17 178.99 1s20 h GLU 296 N 7.80 0.07 -0.54 4.34 4.11 -2.01 0.17 114.58 128.53 1s20 h GLU 296 Ca -0.15 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.23 1s20 h GLU 296 Cb 1.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1s20 h GLU 296 CO 0.46 0.05 0.05 0.09 0.07 0.00 0.00 179.01 179.73 1s20 n ASN 297 N -4.47 5.15 -3.88 3.06 3.02 -1.26 -4.79 115.26 112.09 1s20 n ASN 297 Ca 0.37 -3.03 -0.30 0.00 -0.03 0.00 0.00 54.58 51.58 1s20 n ASN 297 Cb 1.51 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 39.86 1s20 n ASN 297 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1s20 s GLN 298 N -2.84 1.32 0.83 3.52 2.00 0.59 -5.11 119.66 119.97 1s20 s GLN 298 Ca 0.52 -1.80 -0.14 0.00 -2.00 0.00 0.00 55.36 51.94 1s20 s GLN 298 Cb 0.41 -2.76 0.04 0.00 0.80 0.00 0.00 33.01 31.50 1s20 s GLN 298 CO 0.14 -1.01 0.78 0.00 -0.50 0.00 0.00 175.29 174.69 1s20 n ALA 299 N 4.12 -1.24 -2.68 1.58 0.00 -1.26 -4.70 120.51 116.33 1s20 n ALA 299 Ca 0.03 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1s20 n ALA 299 Cb 0.39 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 1s20 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s20 s ILE 300 N -2.17 4.73 0.24 0.00 -1.09 -1.26 -5.03 121.20 116.62 1s20 s ILE 300 Ca 0.66 -0.13 -0.25 0.00 -2.23 0.00 0.00 60.65 58.70 1s20 s ILE 300 Cb -0.28 -4.34 -0.09 0.00 -1.58 0.00 0.00 42.46 36.17 1s20 s ILE 300 CO 0.58 -0.84 0.84 -0.13 -1.23 0.00 0.00 174.94 174.16 1s20 s ARG 301 N 3.03 4.54 0.07 2.79 0.52 -1.26 -4.58 118.95 124.06 1s20 s ARG 301 Ca 0.21 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.59 1s20 s ARG 301 Cb -0.16 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1s20 s ARG 301 CO 0.16 0.42 0.26 -0.51 0.02 0.00 0.00 175.30 175.65 1s20 s LEU 302 N -1.65 4.34 0.21 2.53 1.43 -1.26 -5.06 118.68 119.21 1s20 s LEU 302 Ca 0.43 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.62 1s20 s LEU 302 Cb -0.20 -2.99 -0.11 0.00 0.03 0.00 0.00 46.19 42.91 1s20 s LEU 302 CO 0.25 0.15 1.60 -2.16 0.23 0.00 0.00 176.35 176.42 1s20 s PRO 303 N -2.41 4.18 0.00 1.29 0.04 -1.26 -3.08 135.00 133.76 1s20 s PRO 303 Ca 0.35 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1s20 s PRO 303 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1s20 s PRO 303 CO 0.25 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1s20 n GLY 304 N 3.32 2.96 0.29 0.56 0.00 -1.26 -4.57 105.19 106.49 1s20 n GLY 304 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1s20 n GLY 304 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1s20 h HIS 305 N 0.00 0.00 0.00 1.61 3.86 -1.71 -1.50 115.15 117.42 1s20 h HIS 305 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1s20 h HIS 305 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1s20 h HIS 305 CO 0.00 0.01 -0.13 1.05 0.86 0.00 0.00 177.93 179.72 1s20 h GLU 306 N 0.00 0.00 -0.08 2.45 9.09 -1.89 -3.15 114.58 121.00 1s20 h GLU 306 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1s20 h GLU 306 Cb 0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1s20 h GLU 306 CO 0.00 0.13 0.02 0.74 0.05 0.00 0.00 179.01 179.95 1s20 h PHE 307 N 0.00 0.14 -0.56 2.06 0.04 -1.60 -0.73 116.94 116.29 1s20 h PHE 307 Ca -0.00 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.89 1s20 h PHE 307 Cb 0.47 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1s20 h PHE 307 CO 0.00 0.32 0.39 1.15 -0.60 0.00 0.00 178.31 179.57 1s20 h THR 308 N -0.07 0.78 0.04 -1.55 2.02 -1.69 -1.34 112.91 111.10 1s20 h THR 308 Ca 0.03 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1s20 h THR 308 Cb 0.25 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1s20 h THR 308 CO 0.00 0.03 -0.34 0.74 0.37 0.00 0.00 175.52 176.32 1s20 h THR 309 N 0.14 1.60 -0.88 3.16 2.02 -1.56 -3.14 112.91 114.25 1s20 h THR 309 Ca 0.27 -2.22 0.11 0.00 0.77 0.00 0.00 66.41 65.34 1s20 h THR 309 Cb 0.86 3.05 -0.08 0.00 -1.74 0.00 0.00 68.15 70.24 1s20 h THR 309 CO -0.04 0.60 0.51 -0.07 0.37 0.00 0.00 175.52 176.90 1s20 h LEU 310 N -0.59 0.72 -0.98 2.58 3.38 -0.35 -0.86 115.31 119.22 1s20 h LEU 310 Ca -0.05 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1s20 h LEU 310 Cb 1.18 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1s20 h LEU 310 CO 0.06 0.39 0.09 0.25 0.09 0.00 0.00 178.44 179.32 1s20 h LEU 311 N 0.82 0.79 -0.88 1.67 5.85 -1.37 -2.63 115.31 119.55 1s20 h LEU 311 Ca 0.44 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1s20 h LEU 311 Cb 0.45 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1s20 h LEU 311 CO -0.27 0.80 0.51 0.00 -0.34 0.00 0.00 178.44 179.14 1s20 h ALA 312 N 1.30 1.12 0.01 1.25 0.00 -1.12 -2.09 119.26 119.73 1s20 h ALA 312 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s20 h ALA 312 Cb 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s20 h ALA 312 CO 0.01 0.59 -0.00 0.93 0.00 0.00 0.00 179.25 180.77 1s20 h GLU 313 N 1.21 -0.01 -0.09 0.00 4.39 -1.14 -2.67 114.58 116.27 1s20 h GLU 313 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1s20 h GLU 313 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1s20 h GLU 313 CO -0.06 0.38 0.00 0.09 -1.16 0.00 0.00 179.01 178.26 1s20 n ASN 314 N -4.91 0.09 -0.09 1.42 3.02 -1.02 -0.73 115.26 113.03 1s20 n ASN 314 Ca -0.08 -1.42 -0.09 0.00 -0.03 0.00 0.00 54.58 52.96 1s20 n ASN 314 Cb 0.21 -0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.17 1s20 n ASN 314 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1s20 n ARG 315 N -0.42 0.69 0.00 3.52 3.00 -0.80 -4.32 116.66 118.33 1s20 n ARG 315 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1s20 n ARG 315 Cb 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1s20 n ARG 315 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1s20 n ARG 316 N -2.74 0.00 0.17 -0.14 1.85 -0.99 -4.75 116.66 110.06 1s20 n ARG 316 Ca -0.32 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.56 1s20 n ARG 316 Cb 1.14 -0.84 0.29 0.00 -1.05 0.00 0.00 32.46 32.00 1s20 n ARG 316 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1s20 h ASN 317 N 0.00 0.00 -5.00 2.89 -1.24 -1.19 -3.49 115.58 107.54 1s20 h ASN 317 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1s20 h ASN 317 Cb 0.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1s20 h ASN 317 CO 0.00 0.46 0.00 0.61 -1.29 0.00 0.00 177.43 177.21 1s20 n GLY 318 N 0.02 2.37 3.65 1.57 0.00 -1.23 -5.02 105.19 106.56 1s20 n GLY 318 Ca -0.01 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1s20 n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s20 s ILE 319 N -2.19 5.10 -0.23 -0.61 -1.09 -1.07 -4.33 121.20 116.78 1s20 s ILE 319 Ca 0.00 0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1s20 s ILE 319 Cb 0.00 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1s20 s ILE 319 CO 0.00 0.16 -0.00 -0.89 -1.23 0.00 0.00 174.94 172.98 1s20 s THR 320 N 1.75 3.72 0.43 2.92 2.01 -1.26 -0.63 115.64 124.58 1s20 s THR 320 Ca 0.23 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1s20 s THR 320 Cb -0.15 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 1s20 s THR 320 CO 0.09 0.39 0.02 0.68 -0.69 0.00 0.00 174.62 175.12 1s20 s VAL 321 N 1.50 1.60 -0.15 3.82 -7.23 -1.26 -5.01 120.40 113.68 1s20 s VAL 321 Ca 0.06 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.99 1s20 s VAL 321 Cb -0.15 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1s20 s VAL 321 CO -0.01 0.00 0.75 -1.81 -0.31 0.00 0.00 175.10 173.73 1s20 s ASP 322 N -3.73 6.90 0.25 4.85 1.01 -1.26 -4.72 116.67 119.97 1s20 s ASP 322 Ca 0.26 1.10 -0.03 0.00 0.71 0.00 0.00 52.55 54.59 1s20 s ASP 322 Cb 0.07 -2.42 0.51 0.00 1.01 0.00 0.00 42.92 42.09 1s20 s ASP 322 CO 0.13 -0.30 1.71 0.44 0.21 0.00 0.00 175.17 177.36 1s20 h ASP 323 N 7.22 0.21 -0.61 0.27 3.45 -1.99 0.27 116.42 125.24 1s20 h ASP 323 Ca -0.33 0.13 0.04 0.00 0.43 0.00 0.00 57.03 57.30 1s20 h ASP 323 Cb 1.15 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 40.01 1s20 h ASP 323 CO 0.80 0.04 0.40 0.77 -1.57 0.00 0.00 179.24 179.69 1s20 h SER 324 N 0.38 0.58 -0.07 6.45 4.64 -1.99 -0.18 113.55 123.36 1s20 h SER 324 Ca 0.44 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.67 1s20 h SER 324 Cb 0.73 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1s20 h SER 324 CO -0.46 0.40 -0.28 0.58 -0.87 0.00 0.00 176.83 176.19 1s20 h VAL 325 N 0.67 1.42 -0.66 0.95 2.07 -0.94 -2.59 116.25 117.17 1s20 h VAL 325 Ca 0.25 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1s20 h VAL 325 Cb 0.15 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1s20 h VAL 325 CO -0.07 0.48 0.40 -0.25 0.02 0.00 0.00 177.57 178.15 1s20 h TRP 326 N -0.16 0.86 -0.26 1.57 2.91 -0.54 -0.55 115.95 119.77 1s20 h TRP 326 Ca -0.01 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.90 1s20 h TRP 326 Cb 0.92 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 1s20 h TRP 326 CO 0.13 0.57 -0.28 0.00 -1.03 0.00 0.00 178.44 177.82 1s20 h ALA 327 N 1.54 1.02 -0.50 2.65 0.00 -1.05 -1.53 119.26 121.38 1s20 h ALA 327 Ca 0.24 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1s20 h ALA 327 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1s20 h ALA 327 CO -0.05 0.59 -0.16 -0.22 0.00 0.00 0.00 179.25 179.42 1s20 h LYS 328 N 0.46 0.97 -0.04 0.00 3.64 -0.83 0.05 116.57 120.83 1s20 h LYS 328 Ca 0.06 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1s20 h LYS 328 Cb 0.73 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1s20 h LYS 328 CO 0.06 1.05 -0.01 0.82 -2.27 0.00 0.00 179.45 179.10 1s20 h ILE 329 N 0.86 1.29 0.00 2.00 2.04 -0.86 -2.29 117.51 120.55 1s20 h ILE 329 Ca 0.13 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1s20 h ILE 329 Cb 0.72 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1s20 h ILE 329 CO 0.05 0.24 -0.09 1.56 0.00 0.00 0.00 178.15 179.91 1s20 h GLN 330 N -0.27 0.00 -0.11 2.37 1.08 -1.25 -2.55 115.11 114.38 1s20 h GLN 330 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1s20 h GLN 330 Cb 0.39 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1s20 h GLN 330 CO 0.00 0.09 -0.03 0.00 -0.95 0.00 0.00 178.83 177.94 1s20 h ALA 331 N 1.91 0.15 -0.44 3.87 0.00 -0.59 -2.63 119.26 121.54 1s20 h ALA 331 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1s20 h ALA 331 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1s20 h ALA 331 CO 0.01 -0.11 0.30 -0.07 0.00 0.00 0.00 179.25 179.38 1s20 h LEU 332 N -0.12 0.20 0.00 0.00 3.38 -1.01 -3.51 115.31 114.25 1s20 h LEU 332 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s20 h LEU 332 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1s20 h LEU 332 CO 0.01 0.12 0.00 -0.11 0.09 0.00 0.00 178.44 178.56