#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 0.17 0.61 -0.18 -7.23 -0.16 -5.00 120.40 108.61 1s20 s VAL 3 Ca 0.00 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1s20 s VAL 3 Cb 0.00 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.33 1s20 s VAL 3 CO 0.00 -0.75 0.87 0.42 -0.31 0.00 0.00 175.10 175.33 1s20 s THR 4 N -3.95 2.53 0.28 5.32 -4.23 -1.26 -1.28 115.64 113.05 1s20 s THR 4 Ca 0.12 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 60.10 1s20 s THR 4 Cb 0.07 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 71.17 1s20 s THR 4 CO -0.06 -0.01 1.93 0.15 -0.54 0.00 0.00 174.62 176.09 1s20 h PHE 5 N -0.20 1.15 0.78 3.99 3.04 -1.96 0.66 116.94 124.41 1s20 h PHE 5 Ca -0.43 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.51 1s20 h PHE 5 Cb 1.30 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 39.44 1s20 h PHE 5 CO 0.36 0.68 -0.38 0.93 -2.02 0.00 0.00 178.31 177.88 1s20 h GLU 6 N 1.20 -1.01 -0.81 1.11 4.39 -1.98 0.61 114.58 118.08 1s20 h GLU 6 Ca 0.36 0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.26 1s20 h GLU 6 Cb -0.03 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 1s20 h GLU 6 CO -0.10 -0.67 0.42 1.96 -1.16 0.00 0.00 179.01 179.46 1s20 h GLN 7 N -1.10 0.63 0.28 2.33 4.20 -1.87 0.32 115.11 119.89 1s20 h GLN 7 Ca -0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1s20 h GLN 7 Cb 0.82 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1s20 h GLN 7 CO 0.18 0.42 -0.13 1.25 -0.67 0.00 0.00 178.83 179.87 1s20 h LEU 8 N 0.65 -0.31 -1.45 1.46 5.85 -0.68 -1.96 115.31 118.87 1s20 h LEU 8 Ca 0.42 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1s20 h LEU 8 Cb 0.53 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1s20 h LEU 8 CO -0.32 -0.08 0.13 0.50 -0.34 0.00 0.00 178.44 178.33 1s20 h LYS 9 N -0.55 0.49 -0.46 1.25 3.64 -0.42 -2.30 116.57 118.23 1s20 h LYS 9 Ca -0.04 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1s20 h LYS 9 Cb 0.40 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1s20 h LYS 9 CO 0.06 0.42 0.20 0.00 -2.27 0.00 0.00 179.45 177.87 1s20 h ALA 10 N 1.65 0.59 -0.18 5.00 0.00 -0.18 0.10 119.26 126.24 1s20 h ALA 10 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1s20 h ALA 10 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1s20 h ALA 10 CO -0.01 0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.48 1s20 h ALA 11 N 1.05 0.23 -0.33 0.00 0.00 -0.91 -0.28 119.26 119.02 1s20 h ALA 11 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1s20 h ALA 11 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1s20 h ALA 11 CO -0.02 -0.19 0.17 0.74 0.00 0.00 0.00 179.25 179.96 1s20 h PHE 12 N 0.14 0.32 -0.85 0.00 0.05 -1.24 -1.73 116.94 113.63 1s20 h PHE 12 Ca 0.06 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1s20 h PHE 12 Cb 0.16 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 37.97 1s20 h PHE 12 CO -0.02 0.18 0.44 -0.97 -0.18 0.00 0.00 178.31 177.76 1s20 h ASN 13 N 0.36 1.09 0.05 2.17 -0.73 -0.63 -1.81 115.58 116.07 1s20 h ASN 13 Ca 0.13 -0.11 -0.17 0.00 1.87 0.00 0.00 56.30 58.02 1s20 h ASN 13 Cb 0.03 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.34 1s20 h ASN 13 CO -0.08 0.89 -0.60 0.03 -0.37 0.00 0.00 177.43 177.30 1s20 h ARG 14 N 1.20 0.55 -0.17 6.67 3.08 -0.78 -2.41 114.38 122.52 1s20 h ARG 14 Ca 0.30 -0.37 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1s20 h ARG 14 Cb 0.07 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1s20 h ARG 14 CO -0.04 0.98 -0.50 0.28 -1.07 0.00 0.00 179.97 179.62 1s20 h VAL 15 N 0.41 1.33 0.20 2.04 2.07 -1.14 -2.68 116.25 118.47 1s20 h VAL 15 Ca -0.00 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1s20 h VAL 15 Cb 1.15 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1s20 h VAL 15 CO 0.11 0.53 -0.10 -0.07 0.02 0.00 0.00 177.57 178.07 1s20 h LEU 16 N 0.36 -0.23 -0.42 2.57 3.38 -1.28 -3.05 115.31 116.64 1s20 h LEU 16 Ca 0.02 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1s20 h LEU 16 Cb 1.01 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1s20 h LEU 16 CO 0.09 0.08 -0.15 0.40 0.09 0.00 0.00 178.44 178.95 1s20 h ILE 17 N -0.55 0.50 0.00 1.22 1.08 -1.43 0.37 117.51 118.69 1s20 h ILE 17 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1s20 h ILE 17 Cb 0.41 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1s20 h ILE 17 CO 0.05 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.97 1s20 n SER 18 N -5.35 0.00 -1.33 1.72 3.41 -1.02 -0.57 113.62 110.49 1s20 n SER 18 Ca 0.03 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.06 1s20 n SER 18 Cb 0.26 -0.34 0.31 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.34 3.56 -2.37 4.33 3.00 0.13 -4.95 116.66 119.02 1s20 n ARG 19 Ca 0.00 -2.78 -0.05 0.00 -0.01 0.00 0.00 57.85 55.01 1s20 n ARG 19 Cb 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 32.46 30.65 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 0.65 0.39 3.54 -0.13 0.00 0.27 -5.03 105.19 104.88 1s20 n GLY 20 Ca 0.23 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.60 4.10 0.66 1.61 1.01 -1.20 -5.00 120.40 118.98 1s20 s VAL 21 Ca 0.06 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1s20 s VAL 21 Cb -0.02 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1s20 s VAL 21 CO 0.07 0.50 1.08 -0.90 0.00 0.00 0.00 175.10 175.85 1s20 n ASP 22 N 3.41 1.14 -0.11 3.32 5.75 -1.26 -4.38 116.55 124.42 1s20 n ASP 22 Ca -0.17 0.77 -0.08 0.00 -0.01 0.00 0.00 54.79 55.29 1s20 n ASP 22 Cb 0.52 -1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.14 1s20 n ASP 22 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1s20 h SER 23 N 0.24 -1.13 0.24 -1.12 0.02 -1.98 0.25 113.55 110.07 1s20 h SER 23 Ca -0.49 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1s20 h SER 23 Cb 1.35 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 64.37 1s20 h SER 23 CO 0.50 -0.33 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.40 1s20 h GLU 24 N -0.28 -0.67 -0.23 3.45 4.81 -1.99 0.30 114.58 119.96 1s20 h GLU 24 Ca 0.16 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1s20 h GLU 24 Cb 0.55 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1s20 h GLU 24 CO -0.52 -0.45 0.11 1.15 -0.73 0.00 0.00 179.01 178.57 1s20 h THR 25 N -0.70 0.98 -0.76 0.32 2.02 -1.86 -0.99 112.91 111.92 1s20 h THR 25 Ca -0.00 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1s20 h THR 25 Cb 0.67 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1s20 h THR 25 CO -0.15 0.04 0.51 0.00 0.37 0.00 0.00 175.52 176.29 1s20 h ALA 26 N 1.13 1.46 -0.30 6.16 0.00 -0.26 -0.49 119.26 126.96 1s20 h ALA 26 Ca 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1s20 h ALA 26 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1s20 h ALA 26 CO -0.07 0.50 -0.48 0.22 0.00 0.00 0.00 179.25 179.42 1s20 h ASP 27 N 1.03 0.94 -0.25 0.00 3.58 0.02 -2.30 116.42 119.44 1s20 h ASP 27 Ca 0.28 -0.52 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 1s20 h ASP 27 Cb -0.11 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.66 1s20 h ASP 27 CO -0.06 1.27 -0.01 0.00 -2.88 0.00 0.00 179.24 177.56 1s20 h ALA 28 N 0.69 0.34 -0.36 -0.78 0.00 -0.79 -1.29 119.26 117.08 1s20 h ALA 28 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s20 h ALA 28 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1s20 h ALA 28 CO 0.11 0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.68 1s20 h ALA 30 N 1.13 1.69 0.00 0.00 0.00 -1.35 -1.78 119.26 118.95 1s20 h ALA 30 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s20 h ALA 30 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1s20 h ALA 30 CO -0.03 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1s20 n GLU 31 N -4.42 0.13 0.00 0.00 -0.58 -0.49 -1.66 120.64 113.62 1s20 n GLU 31 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1s20 n GLU 31 Cb 0.14 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1s20 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1s20 n PHE 33 N 0.22 0.00 0.04 -0.32 3.72 -0.67 -0.52 117.46 119.93 1s20 n PHE 33 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1s20 n PHE 33 Cb 0.02 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.12 -0.56 4.37 0.00 -1.59 -2.20 119.26 119.40 1s20 h ALA 34 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1s20 h ALA 34 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1s20 h ALA 34 CO 0.00 0.66 0.34 -0.09 0.00 0.00 0.00 179.25 180.16 1s20 h ARG 35 N 0.35 0.76 -0.25 0.00 9.65 -1.04 0.12 114.38 123.97 1s20 h ARG 35 Ca -0.13 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1s20 h ARG 35 Cb 1.67 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 1s20 h ARG 35 CO 0.20 0.54 0.16 1.15 2.80 0.00 0.00 179.97 184.83 1s20 h THR 36 N 0.75 1.07 -0.12 0.20 2.02 -1.78 -1.55 112.91 113.52 1s20 h THR 36 Ca 0.20 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1s20 h THR 36 Cb -0.02 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1s20 h THR 36 CO -0.04 0.07 0.06 0.74 0.37 0.00 0.00 175.52 176.72 1s20 h THR 37 N 0.33 1.10 -0.02 3.16 2.02 -1.02 -2.13 112.91 116.36 1s20 h THR 37 Ca 0.09 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1s20 h THR 37 Cb -0.02 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1s20 h THR 37 CO -0.02 0.09 0.03 -0.08 0.37 0.00 0.00 175.52 175.91 1s20 h GLU 38 N 0.08 0.00 -0.00 6.66 4.81 -0.54 0.57 114.58 126.16 1s20 h GLU 38 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1s20 h GLU 38 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1s20 h GLU 38 CO -0.01 0.00 -0.02 0.43 -0.73 0.00 0.00 179.01 178.68 1s20 n SER 39 N -3.68 0.10 0.00 1.04 7.64 -0.60 -4.14 113.62 113.98 1s20 n SER 39 Ca -0.02 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1s20 n SER 39 Cb 0.11 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.24 0.80 3.32 0.23 0.00 0.19 -4.42 105.19 106.55 1s20 n GLY 40 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 5.09 -0.23 1.61 1.01 -0.96 -4.85 120.40 120.07 1s20 s VAL 41 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1s20 s VAL 41 Cb 0.00 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1s20 s VAL 41 CO 0.00 -0.79 -0.10 -1.22 0.00 0.00 0.00 175.10 172.99 1s20 n TYR 42 N 5.20 0.29 -0.26 5.22 4.01 -1.26 -3.12 117.16 127.24 1s20 n TYR 42 Ca -0.13 0.07 0.06 0.00 -0.16 0.00 0.00 57.90 57.73 1s20 n TYR 42 Cb 0.41 -1.04 0.20 0.00 -0.31 0.00 0.00 39.34 38.60 1s20 n TYR 42 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1s20 h SER 43 N -0.07 0.27 -0.26 7.72 4.64 -1.88 -1.29 113.55 122.68 1s20 h SER 43 Ca -0.55 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1s20 h SER 43 Cb 1.90 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 64.08 1s20 h SER 43 CO -0.07 0.09 -0.00 1.41 -0.87 0.00 0.00 176.83 177.38 1s20 n HIS 44 N -5.01 0.92 0.00 4.77 8.25 -1.26 -3.84 115.22 119.05 1s20 n HIS 44 Ca 0.15 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.67 1s20 n HIS 44 Cb 0.44 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.61 1.55 0.39 -1.41 0.00 -0.54 -4.29 105.19 100.27 1s20 n GLY 45 Ca 0.22 0.00 0.19 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 0.62 0.00 1.61 3.04 -1.76 -0.97 116.25 118.79 1s20 h VAL 46 Ca 0.00 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.46 1s20 h VAL 46 Cb 0.00 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 1s20 h VAL 46 CO 0.00 0.09 -0.25 0.78 -1.01 0.00 0.00 177.57 177.18 1s20 h ASN 47 N 0.51 0.00 0.25 3.17 -0.26 -1.67 -2.83 115.58 114.76 1s20 h ASN 47 Ca 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.30 1s20 h ASN 47 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1s20 h ASN 47 CO -0.30 0.25 -0.44 -1.14 -1.06 0.00 0.00 177.43 174.75 1s20 n ARG 48 N -3.86 0.57 -0.13 0.81 3.00 -0.38 -4.34 116.66 112.32 1s20 n ARG 48 Ca -0.02 -0.38 -0.04 0.00 -0.00 0.00 0.00 57.85 57.41 1s20 n ARG 48 Cb 0.34 -1.49 0.04 0.00 0.00 0.00 0.00 32.46 31.35 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 0.92 0.19 -0.35 -0.14 3.57 -1.32 -0.84 116.94 118.98 1s20 h PHE 49 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1s20 h PHE 49 Cb 0.54 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1s20 h PHE 49 CO 0.00 0.04 -0.03 -1.35 -2.23 0.00 0.00 178.31 174.74 1s20 h PRO 50 N 0.26 0.06 -1.00 6.41 0.11 -1.77 -0.55 132.00 135.52 1s20 h PRO 50 Ca 0.21 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.34 1s20 h PRO 50 Cb 0.24 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.28 1s20 h PRO 50 CO -0.25 0.04 0.66 -0.09 -0.21 0.00 0.00 178.00 178.15 1s20 h ARG 51 N 0.06 1.27 0.22 1.05 9.65 -1.72 -1.43 114.38 123.48 1s20 h ARG 51 Ca 0.17 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1s20 h ARG 51 Cb 0.25 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1s20 h ARG 51 CO -0.32 0.84 -0.10 0.35 2.80 0.00 0.00 179.97 183.54 1s20 h PHE 52 N 1.31 -0.27 -0.33 2.20 3.57 -0.01 -2.10 116.94 121.32 1s20 h PHE 52 Ca 0.38 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1s20 h PHE 52 Cb -0.08 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1s20 h PHE 52 CO -0.00 -0.12 0.19 0.82 -2.23 0.00 0.00 178.31 176.97 1s20 h ILE 53 N -0.34 1.10 -0.22 1.41 1.08 -0.94 -1.27 117.51 118.33 1s20 h ILE 53 Ca -0.03 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1s20 h ILE 53 Cb 0.26 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1s20 h ILE 53 CO 0.05 0.11 0.10 -0.61 -0.69 0.00 0.00 178.15 177.11 1s20 h GLN 54 N 0.46 0.32 0.00 2.37 4.15 -0.97 -1.90 115.11 119.54 1s20 h GLN 54 Ca 0.12 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1s20 h GLN 54 Cb -0.00 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1s20 h GLN 54 CO -0.02 0.35 -0.01 1.96 -1.93 0.00 0.00 178.83 179.18 1s20 h GLN 55 N 0.22 0.00 -0.14 1.69 4.20 -0.72 -2.28 115.11 118.07 1s20 h GLN 55 Ca 0.07 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 1s20 h GLN 55 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1s20 h GLN 55 CO -0.01 0.01 -0.74 1.25 -0.67 0.00 0.00 178.83 178.67 1s20 h LEU 56 N 0.00 0.79 -0.34 1.46 6.46 -0.78 -1.88 115.31 121.03 1s20 h LEU 56 Ca -0.00 -0.51 -0.19 0.00 -0.12 0.00 0.00 57.88 57.06 1s20 h LEU 56 Cb 0.61 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1s20 h LEU 56 CO 0.00 1.28 -0.82 -0.33 -0.62 0.00 0.00 178.44 177.96 1s20 h GLU 57 N 0.47 0.30 0.00 1.25 5.08 -1.12 -3.10 114.58 117.45 1s20 h GLU 57 Ca -0.04 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1s20 h GLU 57 Cb 1.34 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1s20 h GLU 57 CO 0.14 0.97 0.00 0.09 -1.00 0.00 0.00 179.01 179.21 1s20 n ASN 58 N -3.75 0.60 0.00 1.42 3.02 -0.88 -4.87 115.26 110.80 1s20 n ASN 58 Ca -0.04 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1s20 n ASN 58 Cb 0.76 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 59 N -0.05 0.40 0.37 7.41 0.00 -1.15 -4.94 105.19 107.23 1s20 n GLY 59 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.72 -3.38 1.61 3.45 -1.59 -3.41 116.42 113.83 1s20 h ASP 60 Ca 0.00 0.03 -0.68 0.00 0.43 0.00 0.00 57.03 56.82 1s20 h ASP 60 Cb 0.00 -0.11 -0.15 0.00 -0.56 0.00 0.00 39.33 38.51 1s20 h ASP 60 CO 0.00 0.39 -0.64 -0.63 -1.57 0.00 0.00 179.24 176.80 1s20 s ILE 61 N -5.74 4.19 -0.39 0.35 1.01 -1.19 -4.88 121.20 114.56 1s20 s ILE 61 Ca -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1s20 s ILE 61 Cb 0.21 -2.79 0.11 0.00 0.01 0.00 0.00 42.46 40.00 1s20 s ILE 61 CO 0.79 0.52 0.12 -0.63 0.00 0.00 0.00 174.94 175.74 1s20 s ILE 62 N -0.95 2.47 0.28 2.92 1.01 -0.18 -4.85 121.20 121.90 1s20 s ILE 62 Ca 0.15 -2.55 0.02 0.00 0.00 0.00 0.00 60.65 58.28 1s20 s ILE 62 Cb -0.11 -2.78 0.29 0.00 0.01 0.00 0.00 42.46 39.86 1s20 s ILE 62 CO 0.05 -0.66 1.67 -0.65 0.00 0.00 0.00 174.94 175.36 1s20 h PRO 63 N 7.40 0.30 -0.13 2.79 0.11 -1.95 -0.43 132.00 140.08 1s20 h PRO 63 Ca -0.06 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.91 1s20 h PRO 63 Cb 0.99 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1s20 h PRO 63 CO 0.58 0.20 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.66 1s20 h ASP 64 N 0.31 0.33 -2.97 -2.05 3.32 -1.94 -3.45 116.42 109.97 1s20 h ASP 64 Ca 0.54 -0.15 -0.57 0.00 0.02 0.00 0.00 57.03 56.86 1s20 h ASP 64 Cb 1.05 -0.09 0.18 0.00 0.22 0.00 0.00 39.33 40.68 1s20 h ASP 64 CO -0.58 0.75 -0.49 0.00 -1.72 0.00 0.00 179.24 177.21 1s20 n ALA 65 N -2.48 -1.54 -3.12 3.45 0.00 -0.17 -5.02 120.51 111.64 1s20 n ALA 65 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1s20 n ALA 65 Cb 0.52 -1.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 1s20 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1s20 s GLN 66 N -2.28 0.43 0.48 0.00 2.00 -1.26 -4.71 119.66 114.32 1s20 s GLN 66 Ca 0.66 -0.18 -0.23 0.00 -2.00 0.00 0.00 55.36 53.61 1s20 s GLN 66 Cb -0.40 0.19 -0.08 0.00 0.80 0.00 0.00 33.01 33.51 1s20 s GLN 66 CO 0.57 -0.10 1.17 -2.30 -0.50 0.00 0.00 175.29 174.13 1s20 n PRO 67 N 1.87 1.56 -4.22 1.67 -0.02 -1.26 -4.66 135.00 129.94 1s20 n PRO 67 Ca -0.20 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 1s20 n PRO 67 Cb 0.56 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.38 0.89 -0.03 -0.52 2.36 0.11 -4.97 119.74 115.20 1s20 s LYS 68 Ca 0.66 -0.15 -0.30 0.00 -2.55 0.00 0.00 55.97 53.64 1s20 s LYS 68 Cb -0.49 -0.86 -0.03 0.00 -1.05 0.00 0.00 37.83 35.41 1s20 s LYS 68 CO 0.54 -0.05 0.97 0.50 1.55 0.00 0.00 175.35 178.87 1s20 s ARG 69 N 0.78 4.52 -0.24 4.03 3.52 -1.26 0.93 118.95 131.22 1s20 s ARG 69 Ca -0.11 1.38 -0.16 0.00 -0.13 0.00 0.00 55.73 56.71 1s20 s ARG 69 Cb -0.14 -3.48 -0.16 0.00 -1.56 0.00 0.00 34.95 29.61 1s20 s ARG 69 CO 0.01 -0.12 -0.08 -0.89 -0.81 0.00 0.00 175.30 173.41 1s20 n ILE 70 N 4.07 1.54 -3.94 4.11 2.08 0.96 -4.91 119.36 123.28 1s20 n ILE 70 Ca 0.06 -0.25 -0.09 0.00 0.56 0.00 0.00 62.75 63.03 1s20 n ILE 70 Cb 0.50 -1.92 -0.09 0.00 -0.75 0.00 0.00 39.64 37.38 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 -2.45 0.14 -0.05 1.39 2.01 -0.96 -5.00 115.64 110.72 1s20 s THR 71 Ca -0.34 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.54 1s20 s THR 71 Cb 0.11 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1s20 s THR 71 CO 0.55 -0.62 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.28 1s20 s SER 72 N -2.16 0.99 -0.12 3.53 0.15 -1.26 -1.26 113.70 113.58 1s20 s SER 72 Ca -0.05 -0.11 0.15 0.00 0.70 0.00 0.00 55.95 56.65 1s20 s SER 72 Cb -0.01 -0.42 0.27 0.00 -1.71 0.00 0.00 66.02 64.16 1s20 s SER 72 CO -0.05 -0.09 1.14 0.18 1.20 0.00 0.00 173.24 175.62 1s20 n LEU 73 N 4.26 2.03 0.00 3.45 4.77 -0.08 -5.03 117.00 126.39 1s20 n LEU 73 Ca -0.22 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1s20 n LEU 73 Cb 0.51 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1s20 n LEU 73 CO 0.21 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1s20 n GLY 74 N -1.13 0.92 0.24 -0.72 0.00 -1.26 -4.32 105.19 98.92 1s20 n GLY 74 Ca 0.14 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1s20 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 h ALA 75 N 0.00 0.98 -3.98 4.61 0.00 -1.92 -3.44 119.26 115.52 1s20 h ALA 75 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 1s20 h ALA 75 Cb 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.54 1s20 h ALA 75 CO 0.00 0.05 -0.78 -1.50 0.00 0.00 0.00 179.25 177.02 1s20 s ILE 76 N -3.41 2.96 -0.02 0.00 2.07 -1.26 -0.57 121.20 120.97 1s20 s ILE 76 Ca 0.04 -0.75 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 1s20 s ILE 76 Cb 0.07 -2.16 0.01 0.00 0.13 0.00 0.00 42.46 40.51 1s20 s ILE 76 CO 0.62 0.58 -0.03 -1.61 -1.91 0.00 0.00 174.94 172.60 1s20 s GLU 77 N -0.56 0.35 -0.18 3.50 2.02 0.13 -0.90 118.70 123.06 1s20 s GLU 77 Ca 0.08 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 54.94 1s20 s GLU 77 Cb -0.11 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1s20 s GLU 77 CO 0.01 -0.01 0.05 -1.14 0.02 0.00 0.00 175.26 174.19 1s20 s GLN 78 N 0.37 3.93 0.19 1.61 0.74 -0.39 -0.56 119.66 125.56 1s20 s GLN 78 Ca -0.04 -0.37 0.07 0.00 0.05 0.00 0.00 55.36 55.07 1s20 s GLN 78 Cb -0.07 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 1s20 s GLN 78 CO -0.01 0.26 -0.13 -1.58 -0.55 0.00 0.00 175.29 173.28 1s20 s TRP 79 N 0.40 1.60 -0.21 1.67 0.52 0.14 -0.03 118.94 123.04 1s20 s TRP 79 Ca 0.02 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.54 1s20 s TRP 79 Cb -0.13 -0.76 0.03 0.00 -1.15 0.00 0.00 33.47 31.47 1s20 s TRP 79 CO 0.01 0.29 -0.16 0.34 0.02 0.00 0.00 176.95 177.44 1s20 s ASP 80 N -3.26 3.62 0.46 2.95 3.68 0.26 -1.45 116.67 122.94 1s20 s ASP 80 Ca 0.21 -0.89 0.26 0.00 2.13 0.00 0.00 52.55 54.26 1s20 s ASP 80 Cb -0.00 -1.52 0.92 0.00 -1.45 0.00 0.00 42.92 40.87 1s20 s ASP 80 CO 0.05 -0.07 1.82 0.00 0.13 0.00 0.00 175.17 177.10 1s20 h ALA 81 N 7.90 0.99 -5.32 3.66 0.00 -1.27 0.32 119.26 125.53 1s20 h ALA 81 Ca -0.37 -0.14 -0.41 0.00 0.00 0.00 0.00 54.91 53.98 1s20 h ALA 81 Cb 1.11 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1s20 h ALA 81 CO 0.58 0.20 -0.64 1.04 0.00 0.00 0.00 179.25 180.43 1s20 n GLN 82 N -3.26 -5.22 -3.39 0.00 6.02 -1.18 -1.98 117.38 108.37 1s20 n GLN 82 Ca 0.01 0.73 -0.24 0.00 -0.01 0.00 0.00 57.00 57.48 1s20 n GLN 82 Cb 0.43 -5.60 0.04 0.00 1.02 0.00 0.00 30.24 26.13 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 -4.27 -5.53 -1.92 -1.09 1.74 0.18 -4.77 116.66 101.01 1s20 n ARG 83 Ca -0.04 0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 57.51 1s20 n ARG 83 Cb 0.57 -5.65 0.14 0.00 -1.02 0.00 0.00 32.46 26.50 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s20 s SER 84 N -2.97 3.76 0.02 0.55 1.04 -0.84 -1.02 113.70 114.25 1s20 s SER 84 Ca 0.46 0.50 -0.34 0.00 0.48 0.00 0.00 55.95 57.05 1s20 s SER 84 Cb -0.22 -0.75 -0.12 0.00 0.10 0.00 0.00 66.02 65.03 1s20 s SER 84 CO 0.57 -2.35 1.76 -0.38 0.98 0.00 0.00 173.24 173.82 1s20 n ILE 85 N -3.56 0.35 0.22 -1.02 5.41 -1.26 -4.13 119.36 115.37 1s20 n ILE 85 Ca 0.12 -0.06 -0.16 0.00 1.00 0.00 0.00 62.75 63.65 1s20 n ILE 85 Cb 0.60 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.69 1s20 n ILE 85 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s20 h GLY 86 N 7.90 -0.86 1.06 7.39 0.00 -1.75 -2.28 103.07 114.53 1s20 h GLY 86 Ca -0.47 0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1s20 h GLY 86 CO 0.92 -0.30 0.05 3.45 0.00 0.00 0.00 176.54 180.67 1s20 h ASN 87 N -0.75 1.01 -0.66 0.19 -1.07 -1.75 -1.77 115.58 110.79 1s20 h ASN 87 Ca -0.02 -0.28 -0.07 0.00 0.07 0.00 0.00 56.30 56.00 1s20 h ASN 87 Cb 0.68 -0.27 -0.03 0.00 -2.07 0.00 0.00 38.32 36.64 1s20 h ASN 87 CO -0.08 1.04 0.15 -0.07 0.07 0.00 0.00 177.43 178.54 1s20 h LEU 88 N 0.95 1.00 -0.40 6.14 3.38 -1.93 -2.31 115.31 122.14 1s20 h LEU 88 Ca 0.18 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1s20 h LEU 88 Cb 0.49 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1s20 h LEU 88 CO 0.02 0.98 -0.48 0.74 0.09 0.00 0.00 178.44 179.79 1s20 h THR 89 N 0.98 1.28 -0.65 0.22 2.02 -1.33 -2.98 112.91 112.44 1s20 h THR 89 Ca 0.21 -1.67 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 1s20 h THR 89 Cb 0.37 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1s20 h THR 89 CO 0.00 0.54 0.25 0.00 0.37 0.00 0.00 175.52 176.69 1s20 h ALA 90 N 0.81 1.21 -0.69 6.16 0.00 -1.20 -2.07 119.26 123.48 1s20 h ALA 90 Ca 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s20 h ALA 90 Cb 1.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1s20 h ALA 90 CO 0.11 0.57 0.45 -0.22 0.00 0.00 0.00 179.25 180.16 1s20 h LYS 91 N 0.95 0.89 -5.12 0.00 3.64 -1.32 -3.41 116.57 112.19 1s20 h LYS 91 Ca 0.22 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 59.20 1s20 h LYS 91 Cb 0.19 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1s20 h LYS 91 CO -0.02 0.59 1.08 1.63 -2.27 0.00 0.00 179.45 180.46 1s20 n LYS 92 N -4.62 1.01 0.00 1.90 5.02 -0.78 -4.69 118.16 116.00 1s20 n LYS 92 Ca 0.06 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1s20 n LYS 92 Cb 0.03 -3.48 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 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 13.80 0.00 0.08 4.39 10.43 -1.26 -4.64 116.55 139.35 1s20 n ASP 95 Ca 0.45 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.75 1s20 n ASP 95 Cb 0.45 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.49 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 0.24 -0.08 -1.24 9.65 -1.94 -2.25 114.38 118.75 1s20 h ARG 96 Ca 0.00 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.58 1s20 h ARG 96 Cb 0.00 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1s20 h ARG 96 CO 0.00 0.83 -0.48 0.00 2.80 0.00 0.00 179.97 183.12 1s20 h ALA 97 N 1.12 1.04 -0.45 2.80 0.00 -1.89 -2.30 119.26 119.57 1s20 h ALA 97 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1s20 h ALA 97 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1s20 h ALA 97 CO 0.11 0.64 -0.11 0.82 0.00 0.00 0.00 179.25 180.70 1s20 h ILE 98 N 0.17 1.27 -0.44 0.00 2.04 -1.85 -0.88 117.51 117.83 1s20 h ILE 98 Ca 0.01 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 1s20 h ILE 98 Cb 0.91 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1s20 h ILE 98 CO 0.07 0.42 -0.02 -0.33 0.00 0.00 0.00 178.15 178.30 1s20 h GLU 99 N 0.71 0.72 -0.34 2.37 5.08 -1.24 -0.74 114.58 121.15 1s20 h GLU 99 Ca 0.11 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1s20 h GLU 99 Cb 0.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1s20 h GLU 99 CO 0.05 0.75 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.44 1s20 h LEU 100 N 0.68 0.84 -1.30 1.33 3.38 -1.21 -2.91 115.31 116.12 1s20 h LEU 100 Ca 0.13 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1s20 h LEU 100 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1s20 h LEU 100 CO 0.02 1.12 0.18 0.00 0.09 0.00 0.00 178.44 179.85 1s20 h ALA 101 N 0.75 1.45 0.00 1.53 0.00 -0.81 0.22 119.26 122.40 1s20 h ALA 101 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s20 h ALA 101 Cb 0.86 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s20 h ALA 101 CO 0.07 0.42 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 1s20 h ALA 102 N 1.54 1.20 0.00 0.00 0.00 -0.94 0.76 119.26 121.82 1s20 h ALA 102 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s20 h ALA 102 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s20 h ALA 102 CO -0.01 0.14 -1.22 -0.25 0.00 0.00 0.00 179.25 177.90 1s20 n ASP 103 N -3.51 1.37 0.00 0.00 8.00 -0.64 -4.63 116.55 117.14 1s20 n ASP 103 Ca -0.01 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1s20 n ASP 103 Cb 0.25 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.72 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 -1.71 0.00 0.00 1.24 8.25 0.68 -5.01 115.22 118.68 1s20 n HIS 104 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s20 n HIS 104 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 0.39 2.39 2.83 -1.41 0.00 0.26 -4.92 105.19 104.73 1s20 n GLY 105 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.56 0.06 0.10 -0.61 2.07 -1.25 0.20 121.20 121.21 1s20 s ILE 106 Ca 0.00 0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.40 1s20 s ILE 106 Cb 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 1s20 s ILE 106 CO 0.00 0.08 -0.20 -0.83 -1.91 0.00 0.00 174.94 172.07 1s20 s GLY 107 N 0.62 1.20 -0.05 1.50 0.00 -0.12 -4.37 107.32 106.11 1s20 s GLY 107 Ca -0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 1s20 s GLY 107 CO -0.02 -1.21 0.11 -2.27 0.00 0.00 0.00 173.10 169.71 1s20 s LEU 108 N -1.84 0.69 -0.14 0.66 0.20 0.27 -1.60 118.68 116.91 1s20 s LEU 108 Ca 0.06 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.12 1s20 s LEU 108 Cb -0.10 0.21 0.00 0.00 -0.43 0.00 0.00 46.19 45.88 1s20 s LEU 108 CO 0.04 -0.16 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.05 1s20 s VAL 109 N 1.33 2.28 -0.22 1.68 1.01 0.33 -0.69 120.40 126.12 1s20 s VAL 109 Ca -0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1s20 s VAL 109 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1s20 s VAL 109 CO -0.05 0.54 0.03 0.00 0.00 0.00 0.00 175.10 175.62 1s20 s ALA 110 N 0.72 3.09 -0.14 5.51 0.00 0.28 -1.22 121.76 130.00 1s20 s ALA 110 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1s20 s ALA 110 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1s20 s ALA 110 CO 0.01 -0.29 -0.18 -1.17 0.00 0.00 0.00 175.76 174.12 1s20 s LEU 111 N 1.25 2.33 0.41 0.00 2.96 -0.31 0.29 118.68 125.61 1s20 s LEU 111 Ca 0.04 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1s20 s LEU 111 Cb -0.15 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1s20 s LEU 111 CO 0.02 0.10 0.26 0.00 -1.32 0.00 0.00 176.35 175.41 1s20 s ARG 112 N 0.70 2.37 -1.55 1.98 1.70 -0.53 -1.28 118.95 122.35 1s20 s ARG 112 Ca -0.08 -1.69 -0.11 0.00 -0.47 0.00 0.00 55.73 53.38 1s20 s ARG 112 Cb -0.16 -2.17 0.08 0.00 -0.57 0.00 0.00 34.95 32.14 1s20 s ARG 112 CO 0.01 -0.13 0.73 0.09 -1.08 0.00 0.00 175.30 174.93 1s20 n ASN 113 N -1.36 -2.73 -5.01 -2.89 3.02 -0.92 -1.05 115.26 104.30 1s20 n ASN 113 Ca 0.01 -0.93 -0.18 0.00 -0.03 0.00 0.00 54.58 53.44 1s20 n ASN 113 Cb 0.63 -3.25 0.04 0.00 -0.61 0.00 0.00 39.78 36.59 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 -3.50 4.59 0.28 5.41 0.00 0.00 0.51 121.76 129.05 1s20 s ALA 114 Ca 0.46 -1.89 0.10 0.00 0.00 0.00 0.00 51.96 50.63 1s20 s ALA 114 Cb -0.24 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1s20 s ALA 114 CO 0.88 -0.59 -0.06 -0.80 0.00 0.00 0.00 175.76 175.19 1s20 s ASN 115 N -4.51 4.19 -0.23 0.00 0.01 -1.26 0.72 114.94 113.86 1s20 s ASN 115 Ca 0.59 -0.82 -0.41 0.00 -0.71 0.00 0.00 52.86 51.50 1s20 s ASN 115 Cb -0.08 -0.62 -0.18 0.00 0.41 0.00 0.00 41.25 40.78 1s20 s ASN 115 CO 0.36 -0.03 1.53 1.57 -1.51 0.00 0.00 177.10 179.03 1s20 n HIS 116 N -0.82 1.67 0.00 2.20 -0.00 -1.26 -4.29 115.22 112.72 1s20 n HIS 116 Ca -0.06 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.91 1s20 n HIS 116 Cb 0.60 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 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 3.92 0.00 -0.23 1.57 2.14 -1.26 -3.70 117.44 119.88 1s20 n TRP 117 Ca 0.25 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.75 1s20 n TRP 117 Cb 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.56 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 -0.29 -2.67 0.63 -1.26 -4.31 116.66 108.75 1s20 n ARG 119 Ca 0.00 0.00 0.20 0.00 -0.92 0.00 0.00 57.85 57.13 1s20 n ARG 119 Cb 0.00 -0.24 0.49 0.00 0.45 0.00 0.00 32.46 33.16 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 1.83 1.11 2.00 5.14 0.00 -1.98 -0.27 103.07 110.91 1s20 h GLY 120 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1s20 h GLY 120 CO 0.21 -0.06 0.00 -1.33 0.00 0.00 0.00 176.54 175.36 1s20 h GLY 121 N 0.45 0.00 1.04 4.60 0.00 -1.95 -2.09 103.07 105.12 1s20 h GLY 121 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 1s20 h GLY 121 CO -0.25 0.00 0.44 1.76 0.00 0.00 0.00 176.54 178.49 1s20 h SER 122 N 0.00 1.12 0.24 0.19 0.02 -1.44 0.22 113.55 113.91 1s20 h SER 122 Ca 0.00 -0.12 -0.31 0.00 -0.84 0.00 0.00 61.79 60.52 1s20 h SER 122 Cb 0.10 -0.29 0.03 0.00 0.14 0.00 0.00 62.40 62.39 1s20 h SER 122 CO 0.00 0.93 -1.34 1.88 -1.14 0.00 0.00 176.83 177.16 1s20 h TYR 123 N 1.24 0.95 -0.70 3.45 0.05 -1.55 -1.54 116.97 118.87 1s20 h TYR 123 Ca 0.30 -0.64 -0.07 0.00 0.05 0.00 0.00 58.73 58.37 1s20 h TYR 123 Cb 0.09 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1s20 h TYR 123 CO 0.01 1.49 0.16 0.78 -1.05 0.00 0.00 178.16 179.55 1s20 h GLY 124 N 0.39 1.21 1.00 3.88 0.00 -1.37 -2.73 103.07 105.45 1s20 h GLY 124 Ca -0.21 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.29 1s20 h GLY 124 CO 0.25 0.72 0.10 -0.25 0.00 0.00 0.00 176.54 177.36 1s20 h TRP 125 N 1.07 0.93 0.00 5.60 2.91 -0.55 -2.42 115.95 123.47 1s20 h TRP 125 Ca 0.22 -0.12 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1s20 h TRP 125 Cb 0.39 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.78 1s20 h TRP 125 CO 0.03 0.82 -0.16 -0.56 -1.03 0.00 0.00 178.44 177.54 1s20 h GLN 126 N 0.76 0.00 -0.16 2.65 3.07 -1.13 -1.31 115.11 118.99 1s20 h GLN 126 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.80 1s20 h GLN 126 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1s20 h GLN 126 CO 0.01 0.16 -0.31 0.00 0.09 0.00 0.00 178.83 178.78 1s20 h ALA 127 N 1.84 0.25 -0.06 0.06 0.00 -1.16 -3.20 119.26 117.00 1s20 h ALA 127 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1s20 h ALA 127 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s20 h ALA 127 CO 0.02 0.28 -0.34 0.00 0.00 0.00 0.00 179.25 179.21 1s20 h ALA 128 N 0.57 1.32 0.00 0.00 0.00 -0.98 -1.64 119.26 118.53 1s20 h ALA 128 Ca 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1s20 h ALA 128 Cb 0.90 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s20 h ALA 128 CO 0.07 0.49 -0.01 0.93 0.00 0.00 0.00 179.25 180.72 1s20 h GLU 129 N 0.10 0.00 -0.43 0.00 5.08 -1.25 -1.14 114.58 116.94 1s20 h GLU 129 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1s20 h GLU 129 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1s20 h GLU 129 CO 0.05 0.01 0.02 1.63 -1.00 0.00 0.00 179.01 179.72 1s20 n LYS 130 N -3.21 3.79 -1.00 2.33 5.02 -0.74 -4.94 118.16 119.40 1s20 n LYS 130 Ca -0.02 -3.01 -0.00 0.00 -2.02 0.00 0.00 58.31 53.25 1s20 n LYS 130 Cb 0.14 -2.06 -0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 -0.03 0.36 3.83 0.72 0.00 -0.43 -5.02 105.19 104.62 1s20 n GLY 131 Ca 0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.72 3.26 0.13 1.61 2.02 -0.70 -4.22 117.35 117.74 1s20 s TYR 132 Ca 0.00 0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 56.50 1s20 s TYR 132 Cb 0.00 -1.61 -0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1s20 s TYR 132 CO 0.00 0.53 0.85 0.42 -1.57 0.00 0.00 175.55 175.78 1s20 s ILE 133 N -1.59 4.45 -0.14 2.71 1.01 -0.62 -2.71 121.20 124.31 1s20 s ILE 133 Ca 0.31 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.84 1s20 s ILE 133 Cb -0.11 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.15 1s20 s ILE 133 CO 0.24 0.42 -0.20 -0.83 0.00 0.00 0.00 174.94 174.57 1s20 s GLY 134 N -0.54 1.29 -0.05 6.18 0.00 -0.01 -1.89 107.32 112.29 1s20 s GLY 134 Ca 0.40 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1s20 s GLY 134 CO 0.27 0.10 -0.11 -0.42 0.00 0.00 0.00 173.10 172.95 1s20 s ILE 135 N 0.95 0.98 -0.01 0.90 1.01 -0.62 0.69 121.20 125.10 1s20 s ILE 135 Ca -0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1s20 s ILE 135 Cb -0.15 -0.90 0.08 0.00 0.01 0.00 0.00 42.46 41.51 1s20 s ILE 135 CO -0.04 0.31 0.73 0.00 0.00 0.00 0.00 174.94 175.94 1s20 s TRP 137 N -2.06 0.52 0.24 0.00 -2.14 -0.64 0.43 118.94 115.28 1s20 s TRP 137 Ca -0.05 -0.90 -0.10 0.00 2.66 0.00 0.00 56.10 57.71 1s20 s TRP 137 Cb -0.00 0.24 -0.01 0.00 -3.10 0.00 0.00 33.47 30.59 1s20 s TRP 137 CO 0.01 -1.15 0.40 -0.08 -2.66 0.00 0.00 176.95 173.47 1s20 s THR 138 N -3.40 0.00 0.14 0.66 -1.32 -1.19 -0.92 115.64 109.61 1s20 s THR 138 Ca 0.23 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 1s20 s THR 138 Cb -0.02 -2.29 0.01 0.00 -1.51 0.00 0.00 72.50 68.69 1s20 s THR 138 CO 0.13 0.00 0.07 -0.46 -2.21 0.00 0.00 174.62 172.15 1s20 n ASN 139 N -0.41 1.80 -1.50 8.08 0.23 -0.58 -3.97 115.26 118.91 1s20 n ASN 139 Ca -0.01 -1.54 -0.02 0.00 -0.53 0.00 0.00 54.58 52.48 1s20 n ASN 139 Cb 0.63 0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.36 1s20 n ASN 139 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1s20 n SER 140 N -1.64 -0.60 -4.85 0.53 3.41 -1.26 -4.71 113.62 104.50 1s20 n SER 140 Ca -0.02 -1.41 -0.32 0.00 -0.26 0.00 0.00 58.87 56.86 1s20 n SER 140 Cb 0.17 1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.10 1s20 n SER 140 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1s20 s ILE 141 N -2.71 4.52 -0.35 -1.33 2.07 -1.26 -4.35 121.20 117.79 1s20 s ILE 141 Ca 0.05 1.08 -0.27 0.00 -1.41 0.00 0.00 60.65 60.09 1s20 s ILE 141 Cb -0.01 -3.73 -0.06 0.00 0.13 0.00 0.00 42.46 38.79 1s20 s ILE 141 CO 0.03 -0.81 2.27 0.00 -1.91 0.00 0.00 174.94 174.52 1s20 s ALA 142 N -2.79 2.24 -0.34 1.50 0.00 -1.26 -4.51 121.76 116.60 1s20 s ALA 142 Ca 0.58 0.39 0.12 0.00 0.00 0.00 0.00 51.96 53.05 1s20 s ALA 142 Cb -0.11 -4.20 0.46 0.00 0.00 0.00 0.00 23.12 19.27 1s20 s ALA 142 CO 0.39 -3.55 1.10 1.33 0.00 0.00 0.00 175.76 175.03 1s20 n VAL 143 N 7.84 1.89 -5.24 0.00 0.24 -0.90 -4.77 118.33 117.38 1s20 n VAL 143 Ca 0.32 -3.91 -0.30 0.00 -2.04 0.00 0.00 64.34 58.40 1s20 n VAL 143 Cb 0.50 -0.28 -0.16 0.00 -1.47 0.00 0.00 33.84 32.42 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 -3.52 2.15 0.68 7.34 0.04 -1.26 -4.67 135.00 135.77 1s20 s PRO 145 Ca 0.40 -0.89 -0.16 0.00 0.04 0.00 0.00 61.00 60.39 1s20 s PRO 145 Cb 0.40 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.96 1s20 s PRO 145 CO -0.05 0.49 1.20 -1.25 0.04 0.00 0.00 177.00 177.43 1s20 s PRO 146 N -0.46 2.44 -0.13 0.56 0.04 -1.26 -4.80 135.00 131.39 1s20 s PRO 146 Ca 0.06 1.74 -0.37 0.00 0.04 0.00 0.00 61.00 62.46 1s20 s PRO 146 Cb -0.11 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1s20 s PRO 146 CO 0.00 -1.60 1.71 1.87 0.04 0.00 0.00 177.00 179.03 1s20 n TRP 147 N -2.38 2.08 0.00 0.56 -0.00 -1.26 -1.07 117.44 115.37 1s20 n TRP 147 Ca 0.13 0.36 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1s20 n TRP 147 Cb 0.50 -2.51 0.00 0.00 -0.00 0.00 0.00 31.31 29.30 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 3.95 0.53 3.61 5.87 0.00 -1.26 -5.06 105.19 112.83 1s20 n GLY 148 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 3.14 -0.63 4.61 0.00 -0.24 -5.03 121.76 121.62 1s20 s ALA 149 Ca 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 51.96 50.08 1s20 s ALA 149 Cb 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.77 1s20 s ALA 149 CO 0.00 0.11 0.60 0.36 0.00 0.00 0.00 175.76 176.82 1s20 n LYS 150 N -0.91 0.79 -4.39 0.00 2.85 -1.26 -4.71 118.16 110.53 1s20 n LYS 150 Ca -0.05 -0.69 -0.34 0.00 -1.05 0.00 0.00 58.31 56.19 1s20 n LYS 150 Cb 0.62 -1.04 -0.12 0.00 -0.65 0.00 0.00 35.03 33.83 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 -0.66 3.66 0.15 -1.58 2.12 -1.26 -4.84 118.70 116.29 1s20 s GLU 151 Ca 0.06 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.55 1s20 s GLU 151 Cb 0.05 -2.91 -0.11 0.00 0.26 0.00 0.00 34.13 31.41 1s20 s GLU 151 CO 0.10 0.22 1.77 0.00 -0.54 0.00 0.00 175.26 176.81 1s20 n ARG 153 N 4.98 0.00 -4.23 0.00 5.12 -1.26 -4.84 116.66 116.43 1s20 n ARG 153 Ca 0.17 -0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.86 1s20 n ARG 153 Cb 0.37 -0.39 -0.10 0.00 -1.16 0.00 0.00 32.46 31.18 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 0.00 0.18 0.40 0.55 -4.36 -1.26 -4.82 121.20 111.88 1s20 s ILE 154 Ca 0.00 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 1s20 s ILE 154 Cb 0.00 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1s20 s ILE 154 CO 0.00 -0.04 0.36 -0.83 0.24 0.00 0.00 174.94 174.66 1s20 s GLY 155 N -3.19 2.06 0.08 6.27 0.00 -1.26 -2.11 107.32 109.17 1s20 s GLY 155 Ca 0.37 -1.84 0.22 0.00 0.00 0.00 0.00 44.72 43.47 1s20 s GLY 155 CO 0.12 -1.67 1.68 -1.30 0.00 0.00 0.00 173.10 171.92 1s20 n THR 156 N -1.51 0.65 -1.75 0.90 -2.24 -1.26 -4.88 114.28 104.19 1s20 n THR 156 Ca 0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1s20 n THR 156 Cb 0.61 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1s20 n THR 156 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1s20 n ASN 157 N -1.75 0.00 -4.66 3.42 3.02 -1.26 -4.36 115.26 109.67 1s20 n ASN 157 Ca 0.04 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.13 1s20 n ASN 157 Cb 0.26 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1s20 n PRO 158 N -0.33 1.95 -4.36 3.52 -0.02 -1.25 -4.71 135.00 129.80 1s20 n PRO 158 Ca 0.00 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 1s20 n PRO 158 Cb 0.00 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 30.95 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 0.56 3.05 -0.05 2.45 2.96 -1.26 -3.18 118.68 123.20 1s20 s LEU 159 Ca 0.75 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1s20 s LEU 159 Cb -0.71 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1s20 s LEU 159 CO 0.44 0.12 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.73 1s20 s ILE 160 N 0.66 2.30 -0.21 6.68 1.09 0.17 -4.13 121.20 127.77 1s20 s ILE 160 Ca -0.03 -0.98 -0.04 0.00 -1.10 0.00 0.00 60.65 58.49 1s20 s ILE 160 Cb -0.15 -1.85 0.09 0.00 -1.06 0.00 0.00 42.46 39.49 1s20 s ILE 160 CO 0.02 0.57 0.18 -0.69 -0.10 0.00 0.00 174.94 174.92 1s20 s VAL 161 N -0.30 -0.23 -0.03 2.92 1.01 -0.57 -1.25 120.40 121.94 1s20 s VAL 161 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1s20 s VAL 161 Cb -0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1s20 s VAL 161 CO 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 175.10 174.69 1s20 s ALA 162 N 2.25 2.77 -0.13 5.51 0.00 0.22 -1.12 121.76 131.26 1s20 s ALA 162 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1s20 s ALA 162 Cb -0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1s20 s ALA 162 CO -0.16 0.57 -0.15 0.42 0.00 0.00 0.00 175.76 176.44 1s20 s ILE 163 N -0.82 2.83 0.00 0.00 -1.09 0.11 -0.83 121.20 121.40 1s20 s ILE 163 Ca 0.13 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1s20 s ILE 163 Cb -0.11 -2.17 -0.10 0.00 -1.58 0.00 0.00 42.46 38.50 1s20 s ILE 163 CO 0.03 0.53 1.68 -0.81 -1.23 0.00 0.00 174.94 175.14 1s20 n PRO 164 N 3.57 0.79 -2.01 2.79 -0.04 -1.26 -2.77 135.00 136.07 1s20 n PRO 164 Ca -0.18 -0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 62.72 1s20 n PRO 164 Cb 0.53 -1.65 0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s20 n SER 165 N 2.64 0.85 -3.81 3.54 3.41 -1.26 -4.93 113.62 114.06 1s20 n SER 165 Ca 0.16 -1.79 -0.29 0.00 -0.26 0.00 0.00 58.87 56.69 1s20 n SER 165 Cb 0.36 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.58 1s20 n SER 165 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1s20 s THR 166 N -2.60 0.95 0.95 6.66 2.01 -1.26 -2.27 115.64 120.08 1s20 s THR 166 Ca 0.54 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.46 1s20 s THR 166 Cb -0.03 -1.42 0.16 0.00 0.01 0.00 0.00 72.50 71.23 1s20 s THR 166 CO 0.36 -0.25 1.17 -2.16 -0.69 0.00 0.00 174.62 173.06 1s20 s PRO 167 N 1.65 0.82 0.24 4.92 0.04 -1.26 -5.04 135.00 136.36 1s20 s PRO 167 Ca -0.01 0.09 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1s20 s PRO 167 Cb -0.18 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1s20 s PRO 167 CO -0.10 -2.38 1.56 -0.89 0.04 0.00 0.00 177.00 175.23 1s20 n ILE 168 N -3.85 0.62 -4.11 0.56 5.41 -0.96 -5.00 119.36 112.02 1s20 n ILE 168 Ca 0.09 -0.15 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 1s20 n ILE 168 Cb 0.59 -1.75 -0.07 0.00 -0.71 0.00 0.00 39.64 37.71 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 0.37 4.20 -0.05 1.39 2.01 -1.11 -4.14 115.64 118.31 1s20 s THR 169 Ca 0.70 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1s20 s THR 169 Cb -0.58 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1s20 s THR 169 CO 0.44 0.04 0.19 0.68 -0.69 0.00 0.00 174.62 175.27 1s20 s VAL 171 N -1.49 0.03 -0.03 3.82 -7.23 -0.28 0.09 120.40 115.31 1s20 s VAL 171 Ca 0.28 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 1s20 s VAL 171 Cb -0.11 -0.35 0.02 0.00 0.56 0.00 0.00 36.38 36.50 1s20 s VAL 171 CO 0.20 -0.12 0.07 -0.62 -0.31 0.00 0.00 175.10 174.32 1s20 s ASP 172 N -0.39 -0.04 0.00 4.85 -1.08 -1.26 -1.52 116.67 117.23 1s20 s ASP 172 Ca -0.05 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1s20 s ASP 172 Cb -0.03 0.09 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1s20 s ASP 172 CO 0.01 -0.07 0.00 -0.24 0.52 0.00 0.00 175.17 175.39 1s20 n SER 174 N 3.49 0.00 0.00 -0.34 2.88 -1.26 -4.94 113.62 113.45 1s20 n SER 174 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1s20 n SER 174 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s20 n SER 176 N 0.00 0.00 -3.45 -3.46 3.41 -1.26 -4.91 113.62 103.95 1s20 n SER 176 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1s20 n SER 176 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.25 -1.52 -2.16 7.33 3.01 -1.26 -4.96 117.46 119.14 1s20 n PHE 178 Ca 0.00 0.53 -0.31 0.00 1.01 0.00 0.00 57.45 58.68 1s20 n PHE 178 Cb 0.00 -1.44 -0.01 0.00 -0.01 0.00 0.00 39.48 38.02 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 -0.80 6.38 0.49 4.37 1.04 -1.26 -4.91 113.70 119.01 1s20 s SER 179 Ca 0.48 1.42 0.15 0.00 0.48 0.00 0.00 55.95 58.47 1s20 s SER 179 Cb -0.54 -2.46 1.16 0.00 0.10 0.00 0.00 66.02 64.29 1s20 s SER 179 CO 0.50 -0.72 2.09 1.88 0.98 0.00 0.00 173.24 177.96 1s20 h TYR 180 N 0.23 0.17 0.00 5.02 -1.99 -1.99 -2.23 116.97 116.18 1s20 h TYR 180 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1s20 h TYR 180 Cb 1.19 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1s20 h TYR 180 CO 0.64 0.10 0.00 0.41 -0.00 0.00 0.00 178.16 179.31 1s20 n GLY 181 N -1.54 0.06 2.62 3.88 0.00 -1.26 -2.15 105.19 106.81 1s20 n GLY 181 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.66 0.00 -0.10 0.99 4.77 -0.84 -1.51 117.00 120.97 1s20 n LEU 183 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1s20 n LEU 183 Cb 0.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1s20 n LEU 183 CO 0.00 0.00 0.67 -0.08 -1.33 0.00 0.00 177.39 176.65 1s20 h GLU 184 N 0.00 0.60 -0.27 3.23 4.81 -1.72 -0.65 114.58 120.57 1s20 h GLU 184 Ca 0.00 -0.26 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1s20 h GLU 184 Cb 0.00 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1s20 h GLU 184 CO 0.00 0.83 -0.09 0.28 -0.73 0.00 0.00 179.01 179.30 1s20 h VAL 185 N 0.35 0.68 -0.20 0.32 2.07 -1.55 0.14 116.25 118.06 1s20 h VAL 185 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1s20 h VAL 185 Cb 0.65 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1s20 h VAL 185 CO 0.04 0.00 0.02 0.78 0.02 0.00 0.00 177.57 178.43 1s20 h ASN 186 N -0.03 0.33 -0.19 0.57 4.21 -1.83 -2.40 115.58 116.24 1s20 h ASN 186 Ca 0.14 -0.28 0.05 0.00 1.21 0.00 0.00 56.30 57.42 1s20 h ASN 186 Cb 0.24 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 1s20 h ASN 186 CO -0.30 0.52 -0.16 -0.09 -1.29 0.00 0.00 177.43 176.12 1s20 h ARG 187 N 0.12 -0.16 -0.77 0.81 2.43 -0.76 0.45 114.38 116.50 1s20 h ARG 187 Ca 0.06 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1s20 h ARG 187 Cb 0.35 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1s20 h ARG 187 CO 0.01 -0.11 0.50 -0.07 -1.51 0.00 0.00 179.97 178.79 1s20 h LEU 188 N -0.17 0.67 0.00 3.80 3.38 -0.69 0.98 115.31 123.29 1s20 h LEU 188 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s20 h LEU 188 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s20 h LEU 188 CO -0.29 0.42 -0.20 0.00 0.09 0.00 0.00 178.44 178.46 1s20 n ALA 189 N -2.44 2.74 -1.04 1.53 0.00 -0.53 -4.92 120.51 115.85 1s20 n ALA 189 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1s20 n ALA 189 Cb 0.28 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 0.51 3.83 0.00 0.00 0.14 -5.02 105.19 106.13 1s20 n GLY 190 Ca 0.06 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1s20 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s20 s ARG 191 N -1.17 4.04 0.46 1.61 0.52 -0.20 -4.98 118.95 119.24 1s20 s ARG 191 Ca 0.00 0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 1s20 s ARG 191 Cb 0.00 -3.07 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 1s20 s ARG 191 CO 0.00 0.56 0.84 -0.65 0.02 0.00 0.00 175.30 176.08 1s20 s GLN 192 N -1.56 3.75 0.25 3.54 -1.52 -1.26 -4.31 119.66 118.55 1s20 s GLN 192 Ca 0.33 0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 53.99 1s20 s GLN 192 Cb -0.17 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 30.23 1s20 s GLN 192 CO 0.18 -0.17 1.30 -0.51 -0.25 0.00 0.00 175.29 175.85 1s20 s LEU 193 N -4.18 4.43 0.28 2.90 1.02 0.34 -4.94 118.68 118.53 1s20 s LEU 193 Ca 0.53 2.49 -0.02 0.00 0.02 0.00 0.00 54.13 57.15 1s20 s LEU 193 Cb -0.10 -3.62 0.40 0.00 0.02 0.00 0.00 46.19 42.89 1s20 s LEU 193 CO 0.36 -0.51 1.86 1.55 0.02 0.00 0.00 176.35 179.63 1s20 h PRO 194 N 4.67 0.92 -5.11 1.29 0.13 -1.96 -3.44 132.00 128.51 1s20 h PRO 194 Ca -0.46 -0.15 -0.36 0.00 -0.87 0.00 0.00 66.00 64.17 1s20 h PRO 194 Cb 1.22 -0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1s20 h PRO 194 CO 0.73 0.75 -0.69 0.14 -0.23 0.00 0.00 178.00 178.70 1s20 s VAL 195 N -5.43 1.15 0.22 1.56 -7.23 -1.26 -5.11 120.40 104.30 1s20 s VAL 195 Ca -0.10 -2.06 -0.32 0.00 -1.81 0.00 0.00 61.98 57.69 1s20 s VAL 195 Cb 0.16 -2.07 -0.14 0.00 0.56 0.00 0.00 36.38 34.89 1s20 s VAL 195 CO 0.80 -0.56 1.32 0.47 -0.31 0.00 0.00 175.10 176.82 1s20 n ASP 196 N -0.30 2.25 0.00 4.85 8.00 -1.26 -4.80 116.55 125.29 1s20 n ASP 196 Ca -0.08 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1s20 n ASP 196 Cb 0.62 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1s20 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s20 n GLY 197 N 2.08 1.37 0.00 0.44 0.00 -0.70 -4.92 105.19 103.46 1s20 n GLY 197 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.34 -2.26 3.72 -0.02 0.00 -1.19 -0.73 105.19 104.36 1s20 n GLY 198 Ca 0.00 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.20 3.00 0.44 1.61 0.08 -0.70 0.32 117.98 120.53 1s20 s PHE 199 Ca 0.00 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 56.99 1s20 s PHE 199 Cb 0.00 -1.48 0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1s20 s PHE 199 CO 0.00 0.51 0.60 -0.40 -0.10 0.00 0.00 175.22 175.83 1s20 n ASP 200 N 0.06 0.81 -0.14 1.36 3.85 -0.55 -4.64 116.55 117.31 1s20 n ASP 200 Ca -0.10 -1.68 0.11 0.00 -0.71 0.00 0.00 54.79 52.41 1s20 n ASP 200 Cb 0.54 -0.39 0.45 0.00 -1.35 0.00 0.00 41.12 40.37 1s20 n ASP 200 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1s20 h ASP 201 N -0.36 0.48 0.82 -1.12 3.45 -1.92 -1.58 116.42 116.18 1s20 h ASP 201 Ca -0.20 0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.10 1s20 h ASP 201 Cb 0.74 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 1s20 h ASP 201 CO 0.21 0.28 -0.83 -0.33 -1.57 0.00 0.00 179.24 177.01 1s20 h GLU 202 N 0.53 0.01 0.00 3.56 3.07 -2.04 -3.47 114.58 116.23 1s20 h GLU 202 Ca 0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1s20 h GLU 202 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1s20 h GLU 202 CO -0.10 0.83 0.00 0.41 -1.40 0.00 0.00 179.01 178.75 1s20 n GLY 203 N 0.86 1.58 3.78 -3.84 0.00 -0.60 -5.12 105.19 101.86 1s20 n GLY 203 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 5.87 0.23 1.61 -0.87 -1.26 -4.78 114.94 113.74 1s20 s ASN 204 Ca 0.00 0.31 -0.31 0.00 -1.57 0.00 0.00 52.86 51.29 1s20 s ASN 204 Cb 0.00 -1.82 -0.14 0.00 -0.02 0.00 0.00 41.25 39.27 1s20 s ASN 204 CO 0.00 0.38 1.32 0.18 -2.57 0.00 0.00 177.10 176.41 1s20 n LEU 205 N 2.18 2.70 -4.16 0.60 4.77 -1.26 -1.48 117.00 120.34 1s20 n LEU 205 Ca -0.19 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.84 1s20 n LEU 205 Cb 0.54 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 1s20 n LEU 205 CO 0.30 -0.73 -0.36 0.28 -1.33 0.00 0.00 177.39 175.56 1s20 s THR 206 N -0.22 0.48 -0.42 -5.08 -1.32 0.15 -4.85 115.64 104.38 1s20 s THR 206 Ca 0.68 -1.90 0.07 0.00 -1.21 0.00 0.00 61.69 59.32 1s20 s THR 206 Cb -0.69 -1.75 0.19 0.00 -1.51 0.00 0.00 72.50 68.73 1s20 s THR 206 CO 0.52 -0.79 1.15 0.29 -2.21 0.00 0.00 174.62 173.57 1s20 n LYS 207 N -0.04 2.82 -3.14 7.08 5.02 -1.26 -1.72 118.16 126.92 1s20 n LYS 207 Ca -0.11 -1.91 -0.41 0.00 -2.02 0.00 0.00 58.31 53.86 1s20 n LYS 207 Cb 0.62 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 34.35 1s20 n LYS 207 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1s20 s GLU 208 N -1.26 3.87 0.21 1.97 2.02 -1.26 -0.50 118.70 123.74 1s20 s GLU 208 Ca 0.15 0.23 -0.10 0.00 0.02 0.00 0.00 54.97 55.27 1s20 s GLU 208 Cb 0.10 -3.74 0.28 0.00 0.10 0.00 0.00 34.13 30.87 1s20 s GLU 208 CO 0.08 -0.57 1.72 -1.35 0.02 0.00 0.00 175.26 175.15 1s20 h PRO 209 N 8.22 0.30 -0.39 0.39 0.11 -1.88 -3.00 132.00 135.75 1s20 h PRO 209 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1s20 h PRO 209 Cb 1.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1s20 h PRO 209 CO 0.79 0.20 0.26 0.78 -0.21 0.00 0.00 178.00 179.82 1s20 h GLY 210 N 0.30 0.55 0.85 -0.55 0.00 -1.93 -1.55 103.07 100.74 1s20 h GLY 210 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1s20 h GLY 210 CO -0.36 0.20 0.13 -2.08 0.00 0.00 0.00 176.54 174.43 1s20 h VAL 211 N 0.53 0.98 -0.46 4.60 2.07 -1.94 -1.99 116.25 120.03 1s20 h VAL 211 Ca 0.14 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1s20 h VAL 211 Cb -0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1s20 h VAL 211 CO -0.03 0.05 0.03 0.40 0.02 0.00 0.00 177.57 178.04 1s20 h ILE 212 N 0.28 1.23 -0.09 4.57 2.04 -1.46 -2.31 117.51 121.77 1s20 h ILE 212 Ca 0.12 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1s20 h ILE 212 Cb 0.05 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1s20 h ILE 212 CO -0.09 0.32 -0.19 -0.33 0.00 0.00 0.00 178.15 177.86 1s20 h GLU 213 N 0.70 0.15 0.07 2.37 5.08 -0.71 0.19 114.58 122.42 1s20 h GLU 213 Ca 0.14 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1s20 h GLU 213 Cb 0.38 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1s20 h GLU 213 CO 0.01 0.35 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.64 1s20 h LYS 214 N 0.14 0.14 -0.00 2.33 3.64 -0.91 -3.36 116.57 118.56 1s20 h LYS 214 Ca 0.03 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1s20 h LYS 214 Cb 0.43 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1s20 h LYS 214 CO 0.03 1.12 -0.40 0.27 -2.27 0.00 0.00 179.45 178.20 1s20 n ASN 215 N -4.35 0.50 -1.72 4.20 0.23 -0.91 -4.94 115.26 108.28 1s20 n ASN 215 Ca -0.14 -0.26 -0.19 0.00 -0.53 0.00 0.00 54.58 53.47 1s20 n ASN 215 Cb 0.66 0.14 -0.07 0.00 -2.08 0.00 0.00 39.78 38.43 1s20 n ASN 215 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1s20 n ARG 216 N -1.37 -1.49 -1.47 -3.83 1.74 0.05 -4.83 116.66 105.45 1s20 n ARG 216 Ca 0.07 1.07 -0.26 0.00 -0.77 0.00 0.00 57.85 57.95 1s20 n ARG 216 Cb 0.33 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 1s20 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s20 n ARG 217 N -2.38 2.40 -1.79 5.56 1.74 -1.25 -4.53 116.66 116.41 1s20 n ARG 217 Ca -0.19 -2.29 -0.41 0.00 -0.77 0.00 0.00 57.85 54.19 1s20 n ARG 217 Cb 0.63 -2.14 -0.00 0.00 -1.02 0.00 0.00 32.46 29.93 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 -2.08 2.02 -0.01 0.55 2.07 -1.26 -1.72 121.20 120.76 1s20 s ILE 218 Ca 0.59 0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 59.58 1s20 s ILE 218 Cb 0.38 -3.01 -0.04 0.00 0.13 0.00 0.00 42.46 39.92 1s20 s ILE 218 CO -0.21 0.00 0.87 -0.22 -1.91 0.00 0.00 174.94 173.48 1s20 s LEU 219 N -2.07 4.37 0.00 8.50 2.96 0.09 -4.56 118.68 127.97 1s20 s LEU 219 Ca 0.53 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1s20 s LEU 219 Cb -0.47 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1s20 s LEU 219 CO 0.63 -0.18 0.00 -2.65 -1.32 0.00 0.00 176.35 172.84 1s20 n PRO 220 N 3.69 0.00 0.00 0.98 -0.02 -1.26 -4.51 135.00 133.88 1s20 n PRO 220 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1s20 n PRO 220 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 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 3.03 0.00 7.00 -1.23 0.00 -1.26 -4.81 105.19 107.92 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 0.27 1.61 4.01 -1.26 -2.00 117.16 119.78 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 0.72 0.00 -0.31 0.00 0.00 39.34 39.75 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 -0.07 -0.72 0.09 -1.97 -2.57 115.95 110.71 1s20 h TRP 224 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.91 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 0.11 -0.21 0.87 0.09 0.00 0.00 178.44 179.29 1s20 h LYS 225 N 0.00 0.26 0.00 0.12 1.57 -1.79 -1.61 116.57 115.13 1s20 h LYS 225 Ca -0.00 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1s20 h LYS 225 Cb 0.41 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1s20 h LYS 225 CO 0.01 0.82 -0.22 0.78 -0.57 0.00 0.00 179.45 180.27 1s20 h GLY 226 N -0.24 0.00 0.52 3.86 0.00 -1.71 -3.01 103.07 102.49 1s20 h GLY 226 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1s20 h GLY 226 CO 0.05 0.00 -0.09 0.23 0.00 0.00 0.00 176.54 176.73 1s20 h SER 227 N 0.00 -0.20 0.00 0.19 0.87 -1.37 -2.05 113.55 110.99 1s20 h SER 227 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1s20 h SER 227 Cb 0.63 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1s20 h SER 227 CO 0.03 0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 1s20 n GLY 228 N 0.15 0.02 3.29 5.77 0.00 -0.61 -2.45 105.19 111.36 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 0.81 0.00 0.11 1.61 2.88 -0.77 -1.90 113.62 116.35 1s20 n SER 230 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1s20 n SER 230 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.89 -0.79 2.46 2.04 -1.76 -2.11 117.51 118.24 1s20 h ILE 231 Ca 0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1s20 h ILE 231 Cb 0.00 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1s20 h ILE 231 CO 0.00 0.04 0.30 -0.37 0.00 0.00 0.00 178.15 178.12 1s20 h VAL 232 N -0.28 1.26 -0.83 1.67 -1.51 -1.69 -2.28 116.25 112.60 1s20 h VAL 232 Ca -0.02 -0.85 0.04 0.00 -1.23 0.00 0.00 66.70 64.64 1s20 h VAL 232 Cb 0.22 0.33 -0.05 0.00 -2.13 0.00 0.00 31.29 29.66 1s20 h VAL 232 CO 0.03 0.35 0.53 -0.07 -1.23 0.00 0.00 177.57 177.18 1s20 h LEU 233 N 1.16 0.87 -1.30 4.19 3.38 -1.81 0.69 115.31 122.49 1s20 h LEU 233 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1s20 h LEU 233 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1s20 h LEU 233 CO -0.02 0.59 0.00 -0.67 0.09 0.00 0.00 178.44 178.43 1s20 n ASP 234 N -4.58 0.17 0.00 -0.43 2.03 -0.80 -1.41 116.55 111.53 1s20 n ASP 234 Ca 0.10 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1s20 n ASP 234 Cb 0.10 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 0.60 0.00 -0.27 5.18 5.41 0.24 -0.43 119.36 130.08 1s20 n ILE 236 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1s20 n ILE 236 Cb 0.03 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.15 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 1.35 0.29 -1.39 0.00 -1.49 -1.33 119.26 116.69 1s20 h ALA 237 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1s20 h ALA 237 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1s20 h ALA 237 CO 0.00 0.57 -0.14 1.15 0.00 0.00 0.00 179.25 180.83 1s20 h THR 238 N 1.12 0.69 0.48 0.00 2.02 -1.00 -3.10 112.91 113.13 1s20 h THR 238 Ca 0.30 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1s20 h THR 238 Cb -0.07 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1s20 h THR 238 CO -0.06 0.13 -0.35 -0.07 0.37 0.00 0.00 175.52 175.54 1s20 h LEU 239 N -0.80 -0.92 -1.85 2.58 3.38 -1.77 0.39 115.31 116.32 1s20 h LEU 239 Ca -0.04 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.18 1s20 h LEU 239 Cb 0.51 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1s20 h LEU 239 CO 0.07 -0.51 0.52 -0.07 0.09 0.00 0.00 178.44 178.53 1s20 h LEU 240 N -0.80 0.13 -1.27 1.67 4.07 -1.40 0.55 115.31 118.26 1s20 h LEU 240 Ca -0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1s20 h LEU 240 Cb 0.66 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1s20 h LEU 240 CO 0.03 0.06 -0.21 -1.54 -1.08 0.00 0.00 178.44 175.70 1s20 n SER 241 N -4.38 2.10 -4.21 -0.43 3.41 -1.17 -4.79 113.62 104.16 1s20 n SER 241 Ca 0.15 -1.55 -0.36 0.00 -0.26 0.00 0.00 58.87 56.85 1s20 n SER 241 Cb 0.72 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.41 -3.30 0.00 4.04 2.03 0.13 -4.57 116.55 115.29 1s20 n ASP 242 Ca 0.09 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1s20 n ASP 242 Cb 0.42 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s20 n GLY 243 N -1.42 3.90 3.77 0.27 0.00 -0.53 -5.02 105.19 106.15 1s20 n GLY 243 Ca 0.07 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.09 3.47 0.67 4.61 0.00 -1.26 -4.83 121.76 122.34 1s20 s ALA 244 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1s20 s ALA 244 Cb 0.00 -2.83 0.10 0.00 0.00 0.00 0.00 23.12 20.40 1s20 s ALA 244 CO 0.00 0.23 0.70 -1.13 0.00 0.00 0.00 175.76 175.56 1s20 n SER 245 N 2.24 0.79 -0.27 0.00 3.41 -1.26 -4.08 113.62 114.46 1s20 n SER 245 Ca -0.06 -1.70 -0.05 0.00 -0.26 0.00 0.00 58.87 56.79 1s20 n SER 245 Cb 0.50 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.66 1.22 0.11 -3.33 2.07 -1.91 0.40 116.25 114.14 1s20 h VAL 246 Ca -0.23 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1s20 h VAL 246 Cb 0.82 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1s20 h VAL 246 CO 0.23 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 178.00 1s20 h ALA 247 N 1.23 -0.15 -0.27 1.67 0.00 -1.87 -0.33 119.26 119.54 1s20 h ALA 247 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1s20 h ALA 247 Cb -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s20 h ALA 247 CO -0.05 -0.49 0.14 1.49 0.00 0.00 0.00 179.25 180.34 1s20 h GLU 248 N -0.33 0.28 0.09 0.00 4.81 -1.88 0.11 114.58 117.67 1s20 h GLU 248 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1s20 h GLU 248 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1s20 h GLU 248 CO 0.02 0.19 -0.09 0.28 -0.73 0.00 0.00 179.01 178.68 1s20 h VAL 249 N 0.29 0.78 0.00 0.32 2.07 -0.86 0.42 116.25 119.27 1s20 h VAL 249 Ca 0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1s20 h VAL 249 Cb 0.02 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1s20 h VAL 249 CO -0.07 0.00 -0.31 0.74 0.02 0.00 0.00 177.57 177.95 1s20 h THR 250 N -0.21 1.12 0.05 2.57 2.02 -0.83 -2.13 112.91 115.51 1s20 h THR 250 Ca 0.01 -1.08 -0.35 0.00 0.77 0.00 0.00 66.41 65.76 1s20 h THR 250 Cb 0.20 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1s20 h THR 250 CO -0.03 0.30 -1.97 0.00 0.37 0.00 0.00 175.52 174.19 1s20 n GLN 251 N -4.03 0.66 0.00 6.66 6.02 0.38 -4.49 117.38 122.57 1s20 n GLN 251 Ca -0.02 0.33 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 1s20 n GLN 251 Cb 0.36 -1.65 0.44 0.00 1.02 0.00 0.00 30.24 30.41 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 -3.81 1.12 -4.24 1.08 8.00 0.14 -4.87 116.55 113.98 1s20 n ASP 252 Ca -0.38 -1.05 -0.24 0.00 0.71 0.00 0.00 54.79 53.83 1s20 n ASP 252 Cb 0.92 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.96 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1s20 s ASN 253 N -2.35 2.37 0.00 -2.24 0.01 -0.80 -5.02 114.94 106.91 1s20 s ASN 253 Ca 0.29 -0.54 0.16 0.00 -0.71 0.00 0.00 52.86 52.05 1s20 s ASN 253 Cb 0.20 -0.18 0.85 0.00 0.41 0.00 0.00 41.25 42.52 1s20 s ASN 253 CO 0.46 0.12 1.56 -1.54 -1.51 0.00 0.00 177.10 176.19 1s20 n SER 254 N 1.73 0.34 -3.66 -1.22 3.41 -1.26 -4.68 113.62 108.27 1s20 n SER 254 Ca -0.18 -1.58 0.03 0.00 -0.26 0.00 0.00 58.87 56.88 1s20 n SER 254 Cb 0.54 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1s20 n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s20 s ASP 255 N -1.47 -0.02 -0.79 4.04 3.68 -1.26 -5.10 116.67 115.74 1s20 s ASP 255 Ca 0.24 -0.10 -0.25 0.00 2.13 0.00 0.00 52.55 54.57 1s20 s ASP 255 Cb 0.11 0.10 -0.03 0.00 -1.45 0.00 0.00 42.92 41.65 1s20 s ASP 255 CO 0.19 -0.19 1.88 -0.70 0.13 0.00 0.00 175.17 176.48 1s20 s GLU 256 N -2.20 2.64 0.06 4.34 2.12 -1.26 -4.88 118.70 119.53 1s20 s GLU 256 Ca 0.18 0.01 -0.27 0.00 0.36 0.00 0.00 54.97 55.26 1s20 s GLU 256 Cb 0.05 -4.80 0.09 0.00 0.26 0.00 0.00 34.13 29.72 1s20 s GLU 256 CO -0.04 -3.06 0.82 1.52 -0.54 0.00 0.00 175.26 173.96 1s20 s TYR 257 N 9.39 -0.37 -0.31 5.30 1.13 -1.26 -4.68 117.35 126.54 1s20 s TYR 257 Ca 0.67 0.19 -0.00 0.00 -1.41 0.00 0.00 57.07 56.52 1s20 s TYR 257 Cb -0.09 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1s20 s TYR 257 CO 0.07 -0.67 0.06 0.41 -2.51 0.00 0.00 175.55 172.92 1s20 n GLY 258 N -0.31 0.34 2.15 5.49 0.00 0.22 -4.94 105.19 108.14 1s20 n GLY 258 Ca -0.10 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1s20 n GLY 258 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s20 n ILE 259 N -3.72 0.00 -4.79 -0.61 -5.35 0.75 -4.14 119.36 101.51 1s20 n ILE 259 Ca -0.03 -0.67 -0.25 0.00 -0.27 0.00 0.00 62.75 61.53 1s20 n ILE 259 Cb 0.53 -1.49 -0.16 0.00 -1.74 0.00 0.00 39.64 36.78 1s20 n ILE 259 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1s20 s SER 260 N -3.53 2.02 0.07 7.28 0.01 -1.26 -0.82 113.70 117.47 1s20 s SER 260 Ca 0.40 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1s20 s SER 260 Cb -0.01 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1s20 s SER 260 CO 0.27 0.16 -0.09 -1.10 0.41 0.00 0.00 173.24 172.90 1s20 s GLN 261 N -0.08 0.72 -0.08 12.44 -0.21 -0.40 -1.53 119.66 130.52 1s20 s GLN 261 Ca -0.00 -1.02 0.03 0.00 0.02 0.00 0.00 55.36 54.39 1s20 s GLN 261 Cb -0.10 -0.41 0.01 0.00 1.00 0.00 0.00 33.01 33.51 1s20 s GLN 261 CO 0.01 0.06 -0.15 0.42 -2.12 0.00 0.00 175.29 173.51 1s20 s ILE 262 N -2.14 1.39 -0.10 1.08 -1.09 -0.10 -1.16 121.20 119.08 1s20 s ILE 262 Ca -0.00 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1s20 s ILE 262 Cb -0.05 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.59 1s20 s ILE 262 CO -0.01 0.41 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.55 1s20 s PHE 263 N 0.60 2.32 -0.01 3.97 0.08 -0.36 -1.62 117.98 122.96 1s20 s PHE 263 Ca -0.15 -1.01 0.03 0.00 0.12 0.00 0.00 56.93 55.92 1s20 s PHE 263 Cb -0.16 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1s20 s PHE 263 CO 0.05 -0.44 -0.09 0.42 -0.10 0.00 0.00 175.22 175.05 1s20 s ILE 264 N 0.57 0.75 -0.02 0.64 1.01 0.20 -0.52 121.20 123.84 1s20 s ILE 264 Ca -0.14 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1s20 s ILE 264 Cb -0.17 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 1s20 s ILE 264 CO 0.05 0.22 -0.11 0.00 0.00 0.00 0.00 174.94 175.09 1s20 s ALA 265 N -0.07 0.99 -0.06 9.38 0.00 -0.63 -1.59 121.76 129.77 1s20 s ALA 265 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1s20 s ALA 265 Cb -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1s20 s ALA 265 CO -0.00 0.21 -0.13 0.42 0.00 0.00 0.00 175.76 176.26 1s20 s ILE 266 N -0.10 1.21 0.35 0.00 1.01 -0.79 -0.94 121.20 121.93 1s20 s ILE 266 Ca 0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1s20 s ILE 266 Cb -0.06 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 1s20 s ILE 266 CO 0.00 0.37 1.19 -0.70 0.00 0.00 0.00 174.94 175.80 1s20 s GLU 267 N 0.56 4.28 -0.01 2.79 2.12 0.13 -1.59 118.70 126.98 1s20 s GLU 267 Ca -0.13 1.93 -0.00 0.00 0.36 0.00 0.00 54.97 57.13 1s20 s GLU 267 Cb -0.15 -2.91 -0.00 0.00 0.26 0.00 0.00 34.13 31.33 1s20 s GLU 267 CO 0.04 -0.15 -0.01 0.28 -0.54 0.00 0.00 175.26 174.88 1s20 n VAL 268 N 0.54 0.04 0.19 3.70 0.31 -1.26 -4.80 118.33 117.05 1s20 n VAL 268 Ca 0.02 -0.01 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1s20 n VAL 268 Cb 0.45 -1.03 0.82 0.00 -0.91 0.00 0.00 33.84 33.16 1s20 n VAL 268 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1s20 h ASP 269 N -0.01 0.00 0.64 4.52 3.32 -1.81 -1.28 116.42 121.81 1s20 h ASP 269 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1s20 h ASP 269 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1s20 h ASP 269 CO -0.01 0.00 -0.26 0.29 -1.72 0.00 0.00 179.24 177.54 1s20 n LYS 270 N -3.76 0.13 -0.01 3.56 5.02 -1.26 -3.83 118.16 118.00 1s20 n LYS 270 Ca 0.02 -0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 1s20 n LYS 270 Cb 0.37 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.39 0.00 -3.72 -0.35 4.77 -0.51 -4.97 117.00 110.83 1s20 n LEU 271 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1s20 n LEU 271 Cb 0.33 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1s20 n LEU 271 CO 0.30 0.03 0.09 -0.51 -1.33 0.00 0.00 177.39 175.97 1s20 s ILE 272 N -3.08 -0.01 0.55 -0.08 2.07 -1.06 -5.15 121.20 114.43 1s20 s ILE 272 Ca -0.06 0.02 -0.16 0.00 -1.41 0.00 0.00 60.65 59.04 1s20 s ILE 272 Cb 0.10 -0.59 -0.06 0.00 0.13 0.00 0.00 42.46 42.03 1s20 s ILE 272 CO 0.68 0.01 1.00 1.51 -1.91 0.00 0.00 174.94 176.23 1s20 s ASP 273 N 0.46 6.40 0.15 4.50 3.84 -1.26 -4.29 116.67 126.47 1s20 s ASP 273 Ca -0.02 1.59 -0.28 0.00 -0.00 0.00 0.00 52.55 53.85 1s20 s ASP 273 Cb -0.04 -2.51 -0.02 0.00 -1.38 0.00 0.00 42.92 38.98 1s20 s ASP 273 CO -0.02 -0.74 1.57 1.23 -0.00 0.00 0.00 175.17 177.21 1s20 h GLY 274 N 0.64 -0.62 -0.01 2.12 0.00 -1.97 0.03 103.07 103.25 1s20 h GLY 274 Ca -0.46 0.57 0.16 0.00 0.00 0.00 0.00 47.33 47.60 1s20 h GLY 274 CO 0.61 -0.18 0.25 -2.55 0.00 0.00 0.00 176.54 174.67 1s20 h PRO 275 N -0.34 0.33 -0.06 4.80 0.11 -2.00 -1.40 132.00 133.45 1s20 h PRO 275 Ca 0.13 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.99 1s20 h PRO 275 Cb 0.59 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.63 1s20 h PRO 275 CO -0.57 0.22 -0.87 1.15 -0.21 0.00 0.00 178.00 177.71 1s20 h THR 276 N 0.34 1.34 0.46 -1.15 2.02 -1.85 -2.77 112.91 111.31 1s20 h THR 276 Ca 0.43 -2.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 1s20 h THR 276 Cb 0.73 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1s20 h THR 276 CO -0.48 0.68 -0.36 -0.09 0.37 0.00 0.00 175.52 175.64 1s20 h ARG 277 N 0.36 -0.78 -0.81 6.66 2.43 -0.22 0.14 114.38 122.15 1s20 h ARG 277 Ca -0.07 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1s20 h ARG 277 Cb 1.50 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 31.17 1s20 h ARG 277 CO 0.16 -0.52 0.51 -0.44 -1.51 0.00 0.00 179.97 178.17 1s20 h ASP 278 N -0.81 0.81 0.56 -3.80 3.32 -1.37 -0.45 116.42 114.68 1s20 h ASP 278 Ca -0.05 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1s20 h ASP 278 Cb 0.69 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1s20 h ASP 278 CO 0.00 0.54 -0.27 0.00 -1.72 0.00 0.00 179.24 177.79 1s20 h ALA 279 N 1.37 -0.75 -0.98 3.45 0.00 -1.22 0.10 119.26 121.22 1s20 h ALA 279 Ca 0.34 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1s20 h ALA 279 Cb 0.10 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1s20 h ALA 279 CO -0.15 -0.87 0.64 0.87 0.00 0.00 0.00 179.25 179.74 1s20 h LYS 280 N -0.87 1.14 -0.25 0.00 1.57 -0.77 -0.74 116.57 116.65 1s20 h LYS 280 Ca -0.08 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.45 1s20 h LYS 280 Cb 0.62 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s20 h LYS 280 CO 0.13 0.75 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.12 1s20 h LEU 281 N 1.17 0.88 -1.06 2.94 3.38 -1.04 -2.80 115.31 118.78 1s20 h LEU 281 Ca 0.42 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1s20 h LEU 281 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1s20 h LEU 281 CO -0.16 1.26 0.18 -0.61 0.09 0.00 0.00 178.44 179.20 1s20 h GLN 282 N 0.59 0.85 -0.62 1.13 5.75 -0.14 -2.51 115.11 120.17 1s20 h GLN 282 Ca 0.01 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1s20 h GLN 282 Cb 1.17 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1s20 h GLN 282 CO 0.12 0.74 0.11 -0.09 -2.65 0.00 0.00 178.83 177.06 1s20 h ARG 283 N 0.83 0.99 -0.52 1.69 2.43 -1.07 -0.11 114.38 118.62 1s20 h ARG 283 Ca 0.19 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1s20 h ARG 283 Cb 0.24 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1s20 h ARG 283 CO -0.01 0.91 0.00 -0.89 -1.51 0.00 0.00 179.97 178.47 1s20 n ILE 284 N -4.23 0.04 0.00 1.20 5.41 -0.95 -1.11 119.36 119.73 1s20 n ILE 284 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1s20 n ILE 284 Cb 0.27 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 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 0.37 0.00 0.25 4.38 10.43 -0.06 -2.33 116.55 129.60 1s20 n ASP 286 Ca 0.00 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.46 1s20 n ASP 286 Cb 0.10 0.00 0.64 0.00 1.84 0.00 0.00 41.12 43.70 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1s20 h TYR 287 N 0.00 0.00 0.00 1.24 -0.00 -1.35 -1.67 116.97 115.19 1s20 h TYR 287 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1s20 h TYR 287 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1s20 h TYR 287 CO 0.00 0.15 -0.36 0.28 -0.00 0.00 0.00 178.16 178.23 1s20 h VAL 288 N 0.00 0.19 0.00 1.81 2.07 -1.73 -3.38 116.25 115.21 1s20 h VAL 288 Ca -0.00 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1s20 h VAL 288 Cb 0.34 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1s20 h VAL 288 CO 0.02 0.06 -0.02 0.71 0.02 0.00 0.00 177.57 178.37 1s20 h THR 289 N -1.00 0.63 -0.20 2.57 1.35 -1.79 -1.90 112.91 112.56 1s20 h THR 289 Ca -0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1s20 h THR 289 Cb 0.43 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1s20 h THR 289 CO -0.02 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 1s20 n SER 290 N -3.97 1.17 -4.82 5.36 3.41 -0.63 -4.66 113.62 109.47 1s20 n SER 290 Ca -0.03 -1.94 -0.33 0.00 -0.26 0.00 0.00 58.87 56.32 1s20 n SER 290 Cb 0.10 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.73 2.96 -0.05 7.33 0.00 -0.72 -4.96 121.76 124.60 1s20 s ALA 291 Ca 0.17 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1s20 s ALA 291 Cb 0.09 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1s20 s ALA 291 CO 0.12 -0.32 2.05 0.39 0.00 0.00 0.00 175.76 178.01 1s20 n GLU 292 N -1.46 2.56 -2.29 0.00 -0.58 -1.26 -4.94 120.64 112.66 1s20 n GLU 292 Ca 0.07 0.88 -0.40 0.00 -0.42 0.00 0.00 57.16 57.30 1s20 n GLU 292 Cb 0.54 -3.06 -0.03 0.00 -0.57 0.00 0.00 31.44 28.31 1s20 n GLU 292 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s20 s ARG 293 N 5.05 4.40 0.33 3.49 0.52 -1.26 -4.90 118.95 126.58 1s20 s ARG 293 Ca 0.93 1.97 0.26 0.00 -0.52 0.00 0.00 55.73 58.37 1s20 s ARG 293 Cb -0.42 -3.02 0.92 0.00 0.52 0.00 0.00 34.95 32.95 1s20 s ARG 293 CO 0.40 -0.06 1.77 0.00 0.02 0.00 0.00 175.30 177.43 1s20 h ALA 294 N 3.37 1.00 -2.12 2.13 0.00 -1.92 -3.39 119.26 118.33 1s20 h ALA 294 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1s20 h ALA 294 Cb 1.22 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 1s20 h ALA 294 CO 0.65 0.00 -0.55 0.34 0.00 0.00 0.00 179.25 179.70 1s20 s ASP 295 N -4.90 0.76 0.59 0.00 3.68 -1.26 -5.03 116.67 110.52 1s20 s ASP 295 Ca 0.06 -0.04 0.29 0.00 2.13 0.00 0.00 52.55 54.99 1s20 s ASP 295 Cb 0.09 0.81 1.49 0.00 -1.45 0.00 0.00 42.92 43.86 1s20 s ASP 295 CO 0.52 -0.32 1.90 -0.33 0.13 0.00 0.00 175.17 177.07 1s20 h GLU 296 N 8.23 0.00 -0.00 4.34 4.39 -2.00 0.21 114.58 129.75 1s20 h GLU 296 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1s20 h GLU 296 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1s20 h GLU 296 CO 0.28 0.00 -0.03 0.09 -1.16 0.00 0.00 179.01 178.19 1s20 n ASN 297 N -3.67 0.31 -3.89 1.42 4.13 -1.26 -4.62 115.26 107.69 1s20 n ASN 297 Ca 0.08 -0.79 -0.30 0.00 1.68 0.00 0.00 54.58 55.25 1s20 n ASN 297 Cb 0.64 -0.07 -0.15 0.00 -1.54 0.00 0.00 39.78 38.65 1s20 n ASN 297 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1s20 s GLN 298 N -2.24 1.30 0.50 3.52 -1.52 0.75 -5.12 119.66 116.86 1s20 s GLN 298 Ca 0.38 -1.10 -0.22 0.00 -1.95 0.00 0.00 55.36 52.47 1s20 s GLN 298 Cb 0.21 -2.51 -0.06 0.00 -0.22 0.00 0.00 33.01 30.43 1s20 s GLN 298 CO 0.41 -0.74 1.22 0.00 -0.25 0.00 0.00 175.29 175.93 1s20 s ALA 299 N 1.41 2.87 -0.54 6.09 0.00 -1.26 -4.65 121.76 125.68 1s20 s ALA 299 Ca 0.01 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1s20 s ALA 299 Cb -0.18 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1s20 s ALA 299 CO -0.11 -0.92 1.18 0.42 0.00 0.00 0.00 175.76 176.33 1s20 s ILE 300 N -1.49 4.08 0.05 0.00 1.01 -1.26 -5.01 121.20 118.58 1s20 s ILE 300 Ca 0.68 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 62.32 1s20 s ILE 300 Cb -0.32 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.43 1s20 s ILE 300 CO 0.38 -1.22 0.24 0.00 0.00 0.00 0.00 174.94 174.34 1s20 s ARG 301 N 4.79 3.49 0.30 2.79 1.70 -1.26 -4.53 118.95 126.23 1s20 s ARG 301 Ca 0.45 -0.30 -0.14 0.00 -0.47 0.00 0.00 55.73 55.27 1s20 s ARG 301 Cb -0.07 -3.02 -0.09 0.00 -0.57 0.00 0.00 34.95 31.20 1s20 s ARG 301 CO 0.28 0.60 0.70 -0.51 -1.08 0.00 0.00 175.30 175.29 1s20 s LEU 302 N -2.32 4.10 0.13 -1.89 1.43 -1.26 -5.01 118.68 113.85 1s20 s LEU 302 Ca 0.34 1.23 -0.33 0.00 -1.03 0.00 0.00 54.13 54.33 1s20 s LEU 302 Cb -0.13 -3.98 -0.13 0.00 0.03 0.00 0.00 46.19 41.98 1s20 s LEU 302 CO 0.24 -0.17 1.66 -0.81 0.23 0.00 0.00 176.35 177.50 1s20 n PRO 303 N -0.26 2.28 0.00 1.29 -0.04 -1.26 -2.34 135.00 134.67 1s20 n PRO 303 Ca 0.03 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1s20 n PRO 303 Cb 0.53 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1s20 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s20 n GLY 304 N 3.69 2.62 0.28 0.55 0.00 -1.26 -4.44 105.19 106.64 1s20 n GLY 304 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.62 -1.37 115.15 117.63 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 0.08 -0.13 1.05 0.86 0.00 0.00 177.93 179.79 1s20 h GLU 306 N 0.00 0.00 0.00 2.45 9.09 -1.90 -1.35 114.58 122.87 1s20 h GLU 306 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1s20 h GLU 306 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1s20 h GLU 306 CO 0.01 0.13 0.00 0.74 0.05 0.00 0.00 179.01 179.94 1s20 h PHE 307 N 0.00 0.00 0.02 2.06 0.04 -1.48 0.42 116.94 118.00 1s20 h PHE 307 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1s20 h PHE 307 Cb 0.37 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 1s20 h PHE 307 CO 0.00 0.00 -1.62 2.41 -0.60 0.00 0.00 178.31 178.50 1s20 n THR 308 N -2.36 1.57 -0.12 -1.55 -1.04 -0.53 -3.69 114.28 106.57 1s20 n THR 308 Ca 0.01 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1s20 n THR 308 Cb 0.20 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 1s20 n THR 308 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s20 h THR 309 N -0.83 1.29 -0.65 12.58 1.35 -1.28 -2.67 112.91 122.70 1s20 h THR 309 Ca -0.43 -1.31 -0.05 0.00 -0.55 0.00 0.00 66.41 64.08 1s20 h THR 309 Cb 1.48 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 69.24 1s20 h THR 309 CO -0.20 0.43 0.22 -0.07 -0.25 0.00 0.00 175.52 175.65 1s20 h LEU 310 N 0.53 0.91 0.21 3.87 3.38 -0.37 -1.01 115.31 122.84 1s20 h LEU 310 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1s20 h LEU 310 Cb 0.73 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1s20 h LEU 310 CO 0.05 0.84 -0.10 0.25 0.09 0.00 0.00 178.44 179.57 1s20 h LEU 311 N 0.96 -0.24 -0.89 1.67 5.85 -1.62 0.18 115.31 121.21 1s20 h LEU 311 Ca 0.22 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1s20 h LEU 311 Cb 0.25 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1s20 h LEU 311 CO -0.01 -0.13 0.58 0.00 -0.34 0.00 0.00 178.44 178.54 1s20 h ALA 312 N 0.44 1.17 -0.31 1.25 0.00 -1.30 -2.00 119.26 118.51 1s20 h ALA 312 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1s20 h ALA 312 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1s20 h ALA 312 CO 0.05 0.46 0.09 1.49 0.00 0.00 0.00 179.25 181.34 1s20 h GLU 313 N 1.15 0.48 0.00 0.00 4.81 -0.83 -2.47 114.58 117.73 1s20 h GLU 313 Ca 0.35 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1s20 h GLU 313 Cb -0.03 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1s20 h GLU 313 CO -0.11 0.53 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.78 1s20 h ASN 314 N 0.34 0.00 0.97 1.04 -0.26 -0.16 0.48 115.58 118.00 1s20 h ASN 314 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1s20 h ASN 314 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1s20 h ASN 314 CO -0.00 0.02 -0.30 0.54 -1.06 0.00 0.00 177.43 176.63 1s20 n ARG 315 N -3.79 0.16 -0.07 0.81 1.74 -0.80 -0.66 116.66 114.06 1s20 n ARG 315 Ca -0.03 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1s20 n ARG 315 Cb 0.11 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 29.77 1s20 n ARG 315 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s20 n ARG 316 N -1.88 0.67 0.00 5.56 1.74 0.00 -4.55 116.66 118.20 1s20 n ARG 316 Ca 0.05 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1s20 n ARG 316 Cb 0.39 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1s20 n ARG 316 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1s20 n ASN 317 N -2.74 1.22 0.00 0.55 3.02 -0.27 -5.11 115.26 111.93 1s20 n ASN 317 Ca -0.25 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1s20 n ASN 317 Cb 1.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 1s20 n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 318 N -0.15 -1.85 3.80 7.41 0.00 0.17 -4.91 105.19 109.65 1s20 n GLY 318 Ca 0.00 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.36 4.99 -0.19 -0.61 1.01 -0.40 -4.62 121.20 119.02 1s20 s ILE 319 Ca 0.00 0.98 -0.06 0.00 0.00 0.00 0.00 60.65 61.57 1s20 s ILE 319 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1s20 s ILE 319 CO 0.00 0.50 0.04 -0.89 0.00 0.00 0.00 174.94 174.59 1s20 s THR 320 N -0.61 4.47 -0.01 2.92 2.01 -1.26 -0.99 115.64 122.18 1s20 s THR 320 Ca 0.26 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1s20 s THR 320 Cb -0.17 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1s20 s THR 320 CO 0.14 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 1s20 s VAL 321 N 0.60 1.51 0.27 3.82 1.01 -1.26 -5.01 120.40 121.34 1s20 s VAL 321 Ca 0.02 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1s20 s VAL 321 Cb -0.13 -1.26 -0.12 0.00 0.00 0.00 0.00 36.38 34.86 1s20 s VAL 321 CO 0.02 0.40 1.57 -0.67 0.00 0.00 0.00 175.10 176.42 1s20 n ASP 322 N 2.53 3.64 -0.35 3.32 -0.08 -1.26 -4.60 116.55 119.75 1s20 n ASP 322 Ca -0.15 1.14 0.05 0.00 -1.51 0.00 0.00 54.79 54.31 1s20 n ASP 322 Cb 0.53 -1.56 0.20 0.00 2.34 0.00 0.00 41.12 42.64 1s20 n ASP 322 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1s20 h ASP 323 N 4.90 0.92 -0.13 1.67 3.32 -1.99 -0.37 116.42 124.75 1s20 h ASP 323 Ca -0.46 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1s20 h ASP 323 Cb 1.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1s20 h ASP 323 CO 0.80 0.54 0.05 0.77 -1.72 0.00 0.00 179.24 179.68 1s20 h SER 324 N 1.03 0.19 -0.17 6.45 4.64 -2.00 -1.05 113.55 122.63 1s20 h SER 324 Ca 0.45 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1s20 h SER 324 Cb 0.34 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1s20 h SER 324 CO -0.23 0.31 0.09 0.58 -0.87 0.00 0.00 176.83 176.71 1s20 h VAL 325 N 0.05 1.00 0.00 0.95 2.07 -1.77 -1.99 116.25 116.56 1s20 h VAL 325 Ca 0.04 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1s20 h VAL 325 Cb 0.18 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1s20 h VAL 325 CO -0.00 0.03 -0.04 -0.25 0.02 0.00 0.00 177.57 177.34 1s20 h TRP 326 N 0.19 0.00 -0.08 1.57 2.91 -0.97 -2.20 115.95 117.37 1s20 h TRP 326 Ca 0.07 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 1s20 h TRP 326 Cb 0.01 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1s20 h TRP 326 CO -0.09 0.04 -0.07 0.00 -1.03 0.00 0.00 178.44 177.28 1s20 h ALA 327 N 1.96 0.11 -0.35 2.65 0.00 -0.54 -1.62 119.26 121.48 1s20 h ALA 327 Ca -0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1s20 h ALA 327 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s20 h ALA 327 CO 0.00 -0.07 0.24 0.87 0.00 0.00 0.00 179.25 180.29 1s20 h LYS 328 N -0.23 0.24 -0.23 0.00 1.57 -0.85 0.29 116.57 117.35 1s20 h LYS 328 Ca 0.01 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1s20 h LYS 328 Cb 0.58 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1s20 h LYS 328 CO 0.02 0.16 -0.57 0.82 -0.57 0.00 0.00 179.45 179.30 1s20 h ILE 329 N 0.25 1.29 -0.05 1.86 2.04 -1.22 -2.05 117.51 119.63 1s20 h ILE 329 Ca 0.16 -1.79 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1s20 h ILE 329 Cb 0.31 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1s20 h ILE 329 CO -0.03 0.57 -0.48 1.56 0.00 0.00 0.00 178.15 179.77 1s20 h GLN 330 N 0.56 0.13 -0.03 2.37 1.08 0.04 -2.71 115.11 116.55 1s20 h GLN 330 Ca 0.01 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1s20 h GLN 330 Cb 1.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1s20 h GLN 330 CO 0.12 0.58 -0.51 0.00 -0.95 0.00 0.00 178.83 178.07 1s20 h ALA 331 N 1.41 1.09 -0.10 3.87 0.00 -0.33 -2.70 119.26 122.51 1s20 h ALA 331 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1s20 h ALA 331 Cb 0.89 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s20 h ALA 331 CO 0.07 0.65 0.08 -0.07 0.00 0.00 0.00 179.25 179.98 1s20 h LEU 332 N 0.06 0.00 -1.51 0.00 4.07 -1.03 0.37 115.31 117.27 1s20 h LEU 332 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s20 h LEU 332 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1s20 h LEU 332 CO 0.07 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.61 1s20 n LEU 333 N -4.19 2.20 0.00 1.67 4.77 -1.02 -5.05 117.00 115.38 1s20 n LEU 333 Ca -0.01 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1s20 n LEU 333 Cb 0.19 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1s20 n LEU 333 CO 0.31 0.53 0.00 -0.62 -1.33 0.00 0.00 177.39 176.28